NAME	IC50 (uM)
ONC(=O)C=Cc1ccc2c(c1)CN(C2)C(=O)C1CCCC1	30
CO[C@H]1CN(CCn2c3cc(OC)cnc3ccc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1	100
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12	100
CO[C@]12CC[C@]3(C[C@@H]1[C@@](C(C)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O	7.5
Fc1cnc2c3c1C(O)(Cn3c(=O)cc2)CC12CCC(CC1)(CO2)N/C=C/c1ccccc1	0.064
CC1(c2nc(-c3ccccc3)c[nH]2)Cc2c([nH]c3ccccc23)C(C2CCOCC2)N1	2.946
CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)NC3CC3)c(=O)c2c1	100
CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	9.5
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(c1)C#N	4.3
O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1	1.4
CNC(=O)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	2.6
CC(C)(C)NC(=O)C1N(Cc2ccc(F)cc2-c2ccccc2)C(=O)c2ccccc12	32.5
Clc1nccc(c1)C(N1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N)C	1.9
CN(CCc1sc2c(c1C(c1cccnc1F)C)cccc2)C	2.3
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cccc(F)c2)c(C)n1	6.1
Cc1cc2OCC(=O)Nc2nc1CNC12CCC(C[C@]3(O)Cn4c5c3c(F)cnc5ccc4=O)(CC1)OC2	60
COc1ccc2c(c1)n(C[C@@H](C1CCC(CC1)NCc1ncc3c(n1)NC(=O)CO3)N)c(=O)cn2	333
C[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C	8.9125
Cc1ccc(cc1)CC(=O)N1CCC(CC1)CCNc1ncccn1	3.1
Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1	25.2
CCCCCCCN(CC)CC#CCCc1ccc(Cl)cc1	0.053
COc1cc(N2CC(C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12	4
CN([C@@H]1CCN(C1)C1CCC1)C(=O)c1ccc(Cn2c(C)nc3ccccc23)cc1	30
Cc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(C(C)(C)C)n1C.Cl	6.9
O=C1COc2c(N1)cc(cc2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	7.3
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1nccs1	10
C[C@H]1CCCN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1	5.3
CN1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1	3.98
CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccnnc3)cc12	1.6
C[C@H]1CNC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C	6.4
CCc1cc(Oc2cc(Cl)ccc2CNC)ccc1Cl	1.1
CC1=C(c2cccc(O)c2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21	4.6
COc1ccc2c(c1)C(=O)OC12CCC(CC1)C(=O)N(CCN1CCCCC1)C	10
O(C[C@H](O)C[NH2+]C(C)C)c1ccc(cc1)CC(=O)N	1000
NC(=O)c1cnc2cc(F)c(-c3cccnc3)cc2c1NC1CCOCC1	2
Cc1ccc(cn1)c1nnc(n1C)SCCCN1C[C@@H]2[C@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.79
NC1=NCC2N1c1ccccc1Cc1ccccc21	97.0667
CCOC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F	5.6
Cc1ncc(CN[C@@H]2CCN(CCn3c4cc(ccc4ccc3=O)C#N)C[C@@H]2F)cc1C#N	100
Cc1ccc2oc(-c3c4c(N)n[nH]c(=O)c4nn3-c3ccccc3)c(C)c2c1	19.53
O=C1NCN(C1)C(=O)c1ccc(cn1)C1(CCCO1)c1ccc(cc1)OCc1ccccn1	32
O=C(N1CCOCC1)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	0.39
CCOCCn1nc(C)c2nc(NC3CCNCC3)nc(Nc3cc(C)ccn3)c12	2.8
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1nccnc1C	7.8
Cc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1	10
Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1	11.7333
Fc1ccc(cc1)[C@@H](NC(=O)c1ccc(cc1)[S@+](C)[O-])CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cc(F)cc2	8
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccccc3)C2)n1C	2.884
NCC1(c2cccc(-c3ccnc4[nH]nc(C(F)(F)F)c34)c2)CCC1	3
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1	30
Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3ccccc23)c1Cl	100
CN(CCN1CCN(C1=O)c1ccc(C)cc1)C[C@@]12CC[C@@H](CC1)C2(C)C	2.5
COc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)cc1	10
Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CCC3(CCCNC3)C2)nn1	0.27
Fc1cc2[nH]c(-c3cc4c(cc3)cccc4)c(c2cc1)[C@@H]1C[NH2+]CC[C@@H]1F	0.5
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccsc12	12
Clc1cccc(c1)N1CCN(CCN2CCCc3sccc3C2)C1=O	0.79
O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)nc4)CC3)ccc21	4.5
Nc1cnc(cn1)COc1ccc(cc1)C1(CCCO1)c1ccc(nc1)c1nnco1	32
Fc1cnc2c3c1C(O)(Cn3c(=O)cc2)CC12CCC(CC1)(CO2)NCc1nnc2c(c1)OCCO2	60
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cnccn1	0.257
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(Cl)ccn1	7.8
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3c[nH]c4ccc(cc34)C#N)c2c1	2
CO[C@@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@@H]1N(C)C(=O)Cc1ccc(cc1)-n1cnnn1	2
CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=NC1c1ccccc1Cl	4.04
CCC(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)O	12
CN(C)CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O	1.8
CCC(CC)CNc1c(C(N)=O)cnc2c(C)cc(-c3cccnc3)cc12	0.36
CN(C)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1	2.1
O=C1[C@@H]2CCN1Cc1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1	11
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2ccccc2OC)CC1	1.9
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(C#N)cn2)C3)ccc2c1COC2=O	2.4
CNCC[C@H](Oc1cccc2ccccc12)c1cccs1	7.1
O=C(NC1CN(C1)C1CCC(CC1)c1ccccn1)CNc1ncnc2c1cc(cc2)C(F)(F)F	7.5
N#Cc1c(N)ncnc1N1CCC[C@H]1c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1	31.7
CC(=O)Nc1ccc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1	8.5
CN([C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1	3.6
CCN[C@H]1CCC[C@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1	16.3
FC(F)Oc1cccc(F)c1CC(N1CCNCC1)c1ccccc1	10.4
Cc1cc(-c2cc3c(N[C@@H]4CC[C@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)ccn1	30
C[C@@H]1O[C@@H](C)CN(C1)c1nc2nc(ccc2c(n1)N1CCOC[C@H]1C)c1ccccc1	4
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CC(CNC1=O)C(F)(F)F	30
NC(=O)[C@@H]1CSC[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1	25.1189
CC1(c2cccc(-c3cccnc3)c2)N=C(N)c2ccccc2O1	2.8
CCCC1(CC)Oc2c(O1)c(ccc2)CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(cn1)N	3.47
CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1	31.6
O=C(NCCCNc1nc2ccccc2[nH]1)c1ccc(CN2CCCC2)cc1	50.1
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccn2cnnc2n1	100
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)c(F)c1)-c1ccc(F)cc1	5.6
Cn1c(N2CCC(C)(CN)CC2)nc(N)c(Sc2cccc(Cl)c2Cl)c1=O	6
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)n1C	0.19
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1csc(C)n1	12.4
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1F)S(C)(=O)=O	3
CCCCCCn1c(NC2CCN(CCc3ccc(OC)cc3)CC2)nc2ccccc21	0.03
NCC(Cn1c2cc3CCCCc3cc2c2c(c1=O)c(C)[nH]n2)F	13.2
O=[N+]([O-])c1cccc(CNc2cc(C(F)(F)F)cc3ncc(N4CCN(CCO)CC4)cc23)c1	0.037
COc1ccc(cc1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.32
C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O	1.5
CN(C)Cc1ccc(-n2cc(-c3ccc4cc[nH]c4c3)c3c(Cl)ccnc32)cc1	1.7
C[C@@]1(c2cc(CNC3(C(F)(F)F)COC3)c(F)cc2F)CCSC(N)=N1	16.5
CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F	537.0318
CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C11COC1	10
Cc1cc(F)ccc1C1CCN(CC2Cc3ccccc3CN2)CC1	0.2
CCN(CC)C(=O)C1CCCN(C1)C(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	16
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(C(C)C)C(C)C)cccc2	1.3
CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2	30
COc1cccc(C(c2cc3cc(Br)ccc3nc2OC)C(O)(CCN(C)C)c2cc(C)cnc2C)c1OC	1.1
N#Cc1cc([C@H]2CC[C@@H](C(N)=O)N2)ccc1OCc1ccccc1F	15.8489
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12	17.5
CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](O)CCN2)C#N)cc1	33
Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1	28.1
Fc1ccc(c(c1)CCNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O)F	0.032
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnco3)nc2cc1Cl	3.4
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1cc(cc(C)n1)C(F)(F)F	16.8
CCn1nc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)ccc1=O	7.6
CCN1CCC(CC1)N(C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1	6.65
COc1ccc(cc1)C(=O)C1CCN(CC1)CCCc1ccccc1	0.157
CC(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)-c1ccc(nc1)C#N	2.78
CC(N1CCCC(C1)Cn1c(C)nc2c(c1=O)nc(cc2)Oc1ccc(c2c1nccc2)F)C	9.33
C[C@H]1N2C(COc3cc(c(NC4(C)CNC4)cc23)C(F)(F)F)=NNC1=O	30
C[C@@H](CO)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)Nc2ccn(C)n2)c1	70
OC(=O)c1cc2sccc2[nH]1	10
N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OCCCCCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2	32
N/C(CC(O)c1cc2c(F)cc(F)cc2c2cc(C(F)(F)F)ccc12)=N\N=C\c1ccc(F)cc1	0.067
NCc1c(C)nc2c(c1c1ccc(cc1Cl)Cl)CN(C2=O)CC(=O)N1CCOCC1	80
CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.Cl	40
Fc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1	3.5
CN1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1	7.4
CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1cccc(c1)-c1ccccc1	20
CN(C)CC(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21	0.082
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4c(C)c3C)c2n1	2.55
COC(=O)CCCN1CCC(CN2CCC(CC2)Oc2ccc(CO)c(Cl)c2)CC1	20417.3795
COc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1	31.6
CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O	8.1
OC[C@@H]1OC(=O)N2[C@@H]1COc1c2ccc(c1)c1ccc(nc1)C(=O)[C@H](O)C	133
Clc1cc(C(=O)N[C@@H]2[C@H]3CCC[NH+](CC2)C3)c(OC)cc1N	2
CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	9.41
CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1ccc(c(c1)Cl)Cl)C(=O)N	4.3
COC1COCCC1N[C@@H]1C[C@H]2CN(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	42.1
COc1ccc2ncc(F)c(CC(NOC(C)=O)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	18.2
OC(=O)[C@@H](Cc1ccccc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	6.3
O=C1OC2(CN1c1cccnc1C)CCC(CC2)c1nc2c([nH]1)cc(cc2)OC(F)(F)F	50
COc1cnc2ccc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@H](F)C3)c2c1	100
O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)cc1)C2	0.98
Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCC2(CCCN2)CC1	12
COc1ccc2nccc(NC(=O)[C@@]3(O)CC[C@@H](CC3)NCc3cc4OCCOc4cn3)c2n1	24
CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C1CC1)Nc1ccc(cc1F)F)C(=O)N	20
CN(CCc1sc2c(c1C(c1cccnc1Cl)C)cccc2)C	1.5
N[C@H]1CN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C[C@@H](N)[C@@H]1O	10.4
Clc1c(ncc2c1OCCO2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	60
F[C@H]1CN(CCn2c3cc(Oc4cccnc4)cnc3ccc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1	75
CC(C)(Cc1cccc(CC(=O)NCc2cccc(c2)-c2ccc(O)cc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1	10
COC(=O)C1=CC[C@@H]2CC[C@H]1N2C	169.8
COc1cc(C=Cc2nc3ccccc3c(=O)[nH]2)ccc1-n1cnc(C)c1	10
CCC12CCCN3CCc4c(C13)n(C(=O)C2)c5ccccc45	0.1995
CSc1ccc(cc1)C1N=C(OCc2ccc(cc2)NS(=O)(=O)C)N(Cc2c1cccc2)C	0.29
CCN[C@H]1CC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)CC1.Cl	23
OCc1ccc(OC2CCN(CC3CCN(CC3)c3cccc(c3)C(O)=O)CC2)cc1Cl	512861.384
Cc1sc(nc1C(F)(F)F)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N	15.8
CCOC(=O)Nc1ccccc1[C@H](N1CCN(Cc2ccccn2)CC1)c1ccc(cc1)C(=O)N(CC)CC	9.9
COC(=O)C1=CCC2CCC1N2C	89.35
COCCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1	3.45
Clc1ccc(cc1)C(NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)C	7.2
CON=C1CCC(CN2CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)CC1	47.98
Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccc(Cl)c3)N2)cc1	1.5
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccccc1	50
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5c(F)cccc5F)C4)C[C@@H]3C(=O)O)c2c1	47.6
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2)cn1)c1nnc(o1)C(F)(F)F	30
CO[C@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	6.4
Fc1ccc(OCc2cc(OCC3(F)COC3)nc(-c3ccccn3)n2)c(F)c1F	6.3096
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cc(ccc2F)C(F)(F)F)n1C	1.26
CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c1c2=O	40
Cn1c(SCCCN2CC3C(C2)N(CC3)c2ccc(cc2)C(F)(F)F)nnc1c1ccnnc1	0.1
N[C@H]1CO[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	24.4
O[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1	156
Clc1cc(cc(c1)Cl)CC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)CC(F)(F)F)cccc2	4
NC(=N)SCCc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]	0.1
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)onc1-c1ccc(Cl)cc1	1.6
FC(F)Oc1cc(-c2cnn(Cc3cc[nH]n3)c2)ccc1Cl	9.56
Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1	1.46
Nc1ccc(cc1)C(=O)N1C[C@@H]2CN(C[C@H](C1)C2)Cc1ccccc1	3.6
Cc1cccc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)c1	0.3162
O=C(OCC1CCN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)CC1)c1c2n(c3ccccc13)CCCO2	27.5
Fc1ccc(cc1)[C@]1(O)CCN(CC1)[C@@H]([C@H](c1ccc2c(c1)oc(=O)[nH]2)O)C	2.6
CO/N=C/1\CN(CC1(C)CN)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O	89
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc([S+](C)[O-])nc2)C3)ccc2c1COC2=O	3
O=CN1CC(=NC1(C)c1cccc(c1)c1cccc(c1)OC)N	33
Brc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1	0
COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12	80
Cn1nnc([C@@H]2[C@H]3CN(C(=O)c4ccc(C[C@@H]5CC[C@H]([C@H](O)c6ccccc6)N5)cc4)C[C@H]32)n1	17
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1cccc[n+]1[O-])CC2	1.9055
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1CCN(C(N)=O)CC1	3.3113
CC[C@@H](Nc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C)CO	27
COc1ccc(cc1)C#Cc1cccc(C#Cc2ccc(OC)cc2)[n+]1C	0.377
Nc1nc(N2CCC(N3Cc4cc(F)ccc4OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n[nH]1	6.7
ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c[nH]c3ccccc23)c(F)c1	15.3
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O	1.2589
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)C(=O)NCCc2ccccn2)c1	10
CCOC(=O)N1CCC(C)(CC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CC)CC1	3.9
FC1CCN(C1)C(=O)C(C(c1ccc(cc1)c1ccc(=O)n(c1)C)C)N	100
NC1CCCN(C1)c1c(cccc1OC(C)C)/C=C\1/SC(=O)NC1=O	30
O=C(C1CC1c1ccc(cc1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)c1cn[nH]c1C	0.04
Fc1ccc(CNC(=O)N(C2CCN(Cc3ccncc3)CC2)c2ccc(Cl)cc2)cc1	3.8
CCCCS(=O)(=O)N1Cc2c(C1)cc(cc2)C=CC(=O)NO	30
CN1CCN(CC1)c1c(F)c(N)c2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C	460
O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2nnn(CC3CC3)n2)CC1	39.38
COc1ccc(cc1)C(CC(=O)N1CCN(Cc2nc3ccc(C)cc3o2)CC1)c1ccccc1	1.16
Fc1ccc(cc1)C(NC(=O)CN1CCN(Cc2ccn(c2)-c2ccc(cn2)C(F)(F)F)CC1)c1ccc(F)cc1	0.8
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(OC)cc2C1	46.6
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(C(F)(F)F)cc3F)C2)n1C	0.2512
N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12	3.45
Clc1ccc2c(c1)o[nH]c2=O	10
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCS(=O)(=O)c3cn2)Cn2c3c1c(F)cnc3ccc2=O	60
CCN(C(=O)c1ccc(cc1)C1=C[C@]2(CCCNC2)Oc2c1cccc2)CC	12.7
COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@@H](F)C3)c2c1	75
Fc1cccc(CNC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c1	1.2
O=C(NC1CC1)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2	0.3
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1cccc(c1)C(C)=O	63
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2cc(NS(C)(=O)=O)ccc12	15
Fc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OC(O2)(F)F	5.6
N#Cc1cnc(s1)Nc1ncnc(c1)N1CCNCCC1	3
CCc1nc(ccc1CN1CCC(CC1)N1[C@@H](CN(C1=O)C1CCOCC1)c1ccccc1)Oc1ccc(cc1)C(=O)O	30
COC[C@H]1Cn2cc(-c3nc(Nc4ccnn4C)ncc3C)nc2C(=O)N1Cc1ccc(F)c(F)c1	11
COc1ccc(cc1)c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)CC(=O)O	33.3
O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1	2.7
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCN3CCCCC3)cc2)cc1	100
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2nc(C)cs2)CC1)c1cccc(NC(=O)C2CC2)c1	18
CNC(=O)c1cnc(Nc2ccc(C(F)(F)F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC	16
N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CCCCC[C@@H]3N)cc2)cc1	3.6
CNC(=O)c1ccc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl	30
Fc1ccc(F)cc1C=1CN(C(=O)[C@H](N)C(C)(C)C)[C@@H](C=1)c1ccccc1	1.5
Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)c2Cn2cncn2)CC1.Cl.Cl.Cl	9.8
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(OC)nc2)C(C)(C)C1	0.5
COc1ncc(cn1)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)OCC(F)(F)F	7.9
S(=O)(=O)(N1CC[NH+](CC1)CC)c1cc(C2=NC(=O)c3n(N2)c(nc3C)CCC)c(OCC)cc1	12.8
CC[C@H]1C[C@H]2CN3[C@@H]1[C@@H](C2)c1[nH]c2c(c1CC3)cc(cc2)O	2.86
COc1cc(C(=O)N2C[C@@H](n3cc(C4CC4)nn3)C[C@H]2C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)ccc1CN	12
CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12	2398.8
COC(=O)Cc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)CC(N)Cc2ccccc2F)cc1.O=C(O)C(F)(F)F	9.7
Fc1cc(NC(=O)c2ccccc2)ccc1-c1nnc(NCCCCN2CCOCC2)o1	15.8
CC(C)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)S(C)(=O)=O)c2ncccc2c1=O	23
COc1cc2CCC(Oc2c(c1)N1CCN(CC1)C)C(=O)Nc1ccc(cc1)N1CCOCC1	19
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3NCCNc3n2)Cn2c3c1c(F)cnc3ccc2=O	60
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nccs1	11.6
O=C(NC1CN(C1)C1CCC(CC1)c1ccc(cc1)N1CCCC1)CNC(=O)c1cccc(c1)C(F)(F)F	1
OC(CN1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)COc1ccc(cc1)F	0.29
Fc1ccc2c(o[nH0]c2C2CC[N+](CC2)CCC2C(=O)[N+]=3CCCCC=3N=C2C)c1	0.163
COc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1	0
N#Cc1ccc(-c2cccc(F)c2)c(C(=O)N2Cc3cn(-c4cncc(F)c4)nc3C2)c1	8.8
COc1cc(C(O)(CCN(C)C)C(c2cc3cc(Br)ccc3nc2OC)c2cccc(OC)c2F)c(OC)cn1	1.7
COc1cc([C@H]2CC[C@@H](C(N)=O)N2)ccc1OCc1ccccc1F	3.9811
FC(CN1CC(C(C1)C(=O)Nc1ccc(cn1)Cl)C(=O)Nc1ccc(cc1F)n1ccccc1=O)F	10
O=c1c2cc(Cc3ccc(Cl)nc3)c3ccccc3c2ncn1[C@H]1CCCC[C@@H]1O	13
C[C@@H]1CCCN1CCCOc1ccc(cc1)c1sc2c(n1)CCN(C2)C(=O)C	6.3
CC(=O)CN1CCN(C(C1)C)c1cc2[nH]c(nc2cc1Cl)SC(C)(C)C	10
CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1	4.7
CC(C)c1cc(nc(C)n1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl	5.4
CC(C)(O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1	0.38
Clc1ccc(cc1)C(NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)CNS(=O)(=O)C	33.3
CC(C)Oc1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	28
Cn1c(SCCCN2CC3CCN(c4c(F)cc(F)cc4F)C3C2)nnc1-c1ccn(C)c(=O)c1	6.3096
Clc1ccc(NC(=O)N2CCN(CC3CCCNC3)CC2)cc1Cl	1.6
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O	7.7
COc1ccc(cc1)c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(cc1)CN1CC(C(C1)(C)C)O	10
Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cncnc1	3.1623
CNC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21	1.5849
COCc1ccc(-c2cc3c(cc2F)ncc2c3n([C@H]3CC[C@H](OC)CC3)c(=O)n2C)cn1	27
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#N	0.456
CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12	32
COc1ccc(CCN2CCC(CCc3ccccc3OCCF)CC2)cc1.Cl	0.35
O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2	3
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCN(C(=O)CC(C)C)CC2)C[C@H]1OC	10
O=C(O)C[C@H](CN1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1)c1cccc(OC2CCOCC2)c1	7.9433
Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1cccnc1	5.01
COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O	21.3796
CC(N1CCN(CCN2Cc3ccccc3C2)C1=O)c1cccc(c1)C(F)(F)F	1.2589
S(=O)(=O)(N)c1cc(ccc1OC)C[C@H]([NH2+]CCOc1ccccc1OCC)C	104.8
COc1nc2ccccc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12	1.6
CC(=O)N1CCC(CC1)C1NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)c1ccccc1	9.8
CC1CCCN1CCc1ccc2nc(-c3ccsc3)ccc2c1	4.8
C[N@H+]1CCCC[C@H]1CCN2c(cccc3)c3Sc(c24)ccc(c4)SC	0.3631
COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4ccc5c(c4)OCCO5)CO3)c2c1	5.1
Fc1ccc(cc1)Oc1ncc2c(c1)c(=O)n(c(n2)C)CC1CCCN(C1)C(C)C	1.3
COCC(COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C)O	18
Cn1c(nnc1C(CCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F)(C)C)c1ccccc1	0.63
Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCS(=O)CC1)c1cccc(F)c1	10
O=C1COc2c(N1)nc(c(c2)F)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	333
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(Cc1ccccc1)c1ccc(Cl)cc1	3.5
C[n+]1c(CCCOc2ccccc2Cl)cccc1CCCOc1ccccc1Cl	0.074
CCCCCCCN(CCCCc1ccc(cc1)NC=O)CC	0.329
Cc1cccc(N2CCN(CCCNC(=O)c3nc(C)n(-c4ccc5c(c4)OCCO5)c3C)CC2)c1C.Cl.Cl	8.7
NCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	17.5
O[C@H](CNC(=O)c1c[nH]c(=O)cc1C(F)(F)F)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	7.5
O=C(O)C[C@H](CN1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1)c1cccc(C2CCOC2)c1	39.8107
Fc1cc(ccc1-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1)C(=O)N1CCCC1	11.3
O=C1CN(CCN1c1ccc(cc1)OCCCN1CCCCC1)C(=O)c1cccc(c1)S(=O)(=O)C	63
CNC(=O)c1cc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)ccc1F	0.998
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(F)cc3F)C2)nnc1-c1cccnc1	2.8
CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1	33
Clc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O	3.16
Cc1cnc(cn1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C	0.7943
COc1cnc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1	19.9526
O=C(NC1CN(C1)C1CCC(CC1)c1cccnc1)CNc1ncnc2c1cc(cc2)C(F)(F)F	16
CC1CN(CCN1C(=O)C(=O)c1c[nH]c2c1cncc2)C(=O)c1ccccc1	80
N#Cc1ccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)C(=O)C2)cc1.O=CO	9.3325
COc1ccc(cc1)c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)CC(=O)N	33.3
Clc1cc(Cl)cc(c1)C(=O)NCCCNc1nc2ccccc2[nH]1	1.17
ONC(=O)\C=C\c1ccc2CN(CCC3CCCCC3)Cc2c1	22
O=C(O)c1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc2c1	39.8107
CCN(CC)C(=O)c1ccc(cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc12	5.09
O[C@H](c1ccccc1)C[C@@H]1CCC[C@@H](N1C)CC(=O)c1ccccc1	0.34
CC(C)Oc1ncc(cc1C#N)-c1nc(no1)-c1ccc2CCNCCc2c1	3.1623
NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCCCCCCCC#C)c1	10
COc1cc2ccc(Br)cc2cc1[C@@H](c1cccc(C)c1)[C@@](O)(CCN(C)C)c1cccc2c1OCO2	0.5
CC(=O)NC1CCN(CC1)Cc1ccc(cc1)OCCCc1ccc(nn1)Oc1ccccc1	13
O(C)c1c(OC)cc(cc1OC)[C@@](C(C)C)(CCCN(CCc1cc(OC)c(OC)cc1)C)C#N	6.6
O=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1	47.1
Cc1cccc(c1)N1CCN(CC1)CCCCCCN1CCN(CC1)c1ccccn1	8.7
COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1	12
CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11CC1	3.2
F[C@H]1CCN(C1)C(=O)[C@H]([C@@H](C(=O)n1cnnn1)c1ccc(cc1)c1ccc(cc1)F)N	41
O=C(NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2)CCC1CCCCC1	1
C\C(=C/c1cccnc1)c1nc2cc(C)c(C)cc2n1Cc1ccc(Cl)cc1	10
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1	0
C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2C(F)(F)F)n1	3.7
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CC1)N1CCOCC1)C(C3)C2	100
O=C1NCc2c(N1c1c(Cl)cccc1Cl)nc(nc2c1ccccc1Cl)NN1CCOCC1	6.9
CO[C@H]1CCN(CCn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1	1.8
S(=O)(=O)(Nc1ccc(cc1)[C@@H](O)C[NH2+]C(C)C)C	74.13
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nnn(c1C)-c1ccc(F)cc1F	2.8
OC[C@@H]1OC(=O)N2[C@@H]1COc1c2ccc(c1)c1ccc(nc1)C#N	18.35
COc1cc(C=Cc2nc3ccc(F)cc3c(=O)[nH]2)ccc1-n1cnc(C)c1	10
Cc1c(C(O)CN2CCN(CC(O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O	28
Oc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1	0.467
Cl.Cn1cc2c(OCC3CCN(CCN4CCOCC4)CC3)nc3ccccc3c2c1	1.22
ONC(=O)C=Cc1ccc(cc1)CN(C(C)C)CCc1c(nn2c1cccc2)c1ccccc1	8.16
CCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@H](OC)C2)CC1	4.58
CN(C)Cc1cc(C)ccc1Oc1ccc(Cl)c(Cl)c1	3.39
O=C(CN1C(OC(C1=O)(C)CC(F)(F)F)c1ccccc1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C	60
NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1	8.2
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccccn1	0.2089
CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(C)c1	1.78
CCOCCn1c(nc2ccccc12)[C@@H]1CCCN(C1)C1CCOCC1	2.1
NC1=NC2(c3cc(ccc3OCC22CC2)-c2cncnc2)C(F)(F)CS1	1
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1	30
Cc1cccc(c1)COC(=O)N1CCC(CC1)CNc1ncccn1	9.2
COc1cc([C@](O)(CCN(C)C)[C@H](c2cccnc2OC)c2cc3cc(Br)ccc3nc2OC)cc(OC)n1	1.7
CCN(CC)c1ccc2cc(C(=O)NCCCCN3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)c(=O)oc2c1	0.434
O=C1N(CC[C@@H]1[NH2+]Cc1n(cnc1)Cc1ccc(cc1)C#N)c1ccncc1	3.2
COc1ccc2nccc(CC[C@H]3CC[C@H](NCc4ccc(Cl)c(Cl)c4)CC3)c2c1	2.3
Cc1ccc(s1)N1CCN(CCN2Cc3ccccc3C2)C1=O	31.6
CC(C)c1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	50
CCO/N=C/c1ccc(OCCC(C)CCN2CCN(c3ccnc(N)c3)C2=O)cc1	0.8
Nc1cnc(cn1)c1ccc(cc1)C1(OCCC1C)c1ccc(nc1)C(=O)NCC(O)(C)C	32
CN(C)c1ccc(\C=C\c2c(F)cccc2F)nc1	21.1
C[C@@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1	9.092
CNCc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1.Cl.Cl	10
CN(C)CC\C=C1\c2ccccc2COc2ccccc12	6.4565
CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C	6.5
COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1	0.7
C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12	30
Clc1cc2c(n(cc2C[NH+](C)C)-c2ccc(F)cc2)cc1	11
CN1Cc2ccccc2[C@@H](N=C1OCc1ccc(NS(C)(=O)=O)cc1)c1ccccc1	29
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2cnc(OC)c(NS(C)(=O)=O)c2)c(OC)c1	25
N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1	3.7
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCC2)o1	12.5892
Cc1ccc(cc1)CN1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N	0.14
COc1c(C)cc(cc1C#N)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1	2.1
CCc1cc([nH]n1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1	1.2
NCCCC(Nc1cc(OC)cc2c1nccc2)C	21.5
COCc1cnn(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1	10
COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2c1	2.5
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCOCC1	3.2
CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2[C@@]2(COC(N)=N2)C11CC1	10
O=C(N1CCC(CC1)CNc1nncs1)OCc1ccccc1	10
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1	50
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)c1ccc(cc1Cl)NS(=O)(=O)C	10
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccc1C#N	10
Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1	2.5
CN(C1CCN(Cc2nc3cc(F)ccc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1	1.3
C[C@H]1CN(C(=O)c2ccnc(Nc3nc4cnc(Nc5ccc(F)c(C(F)(F)F)c5)cc4[nH]3)c2)C[C@@H](C)N1	13
NC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2	0.4
OCC1CCCN1CCCOc1cc2ncnc(c2cc1OC)Nc1[nH]nc(c1)CC(=O)Nc1cccc(c1F)F	30
OC[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1	30
CN(S(=O)(=O)c1ccc2c(c1)CCNCC2)CC1COc2c1cccc2	2.99
O=C(O)C1CCC2(CCN(c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)CC2)OC1	14.7
CSc1nn2c3CCCCc3c(C)nc2c1S(=O)(=O)c1ccccc1	8.4
CC(C)(C)C(F)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	4.7
Cc1c(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)ccc2c1COC2=O	13
Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1	15
S1CCC(CC1)C1NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)c1ccccc1	0.12
CCn1cc2c(Oc3cnc(C(=O)N4CCC4)c(F)c3)cc(cc2n1)C(=O)Nc1cnc(C)cn1	300
Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)c2C)CC1.Cl.Cl.Cl	1.3
CN1c2ccccc2C(=N[C@@H](NC(=O)\C=C\c2ccc(Cl)cc2Cl)C1=O)c1ccccc1	1.5
COc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	11.5
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]	23
CCc1nc2ccc(C3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1	5.6
C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccnc(Cl)c1	0
NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)nc1	1.3
CCCN([C@H]1CCNC1)C(=O)c1ccccc1SC	20
C(Cc1ccc(Oc2nc3ncccc3s2)cc1)N1CCCCC1	10
Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1	3
CC(C)c1cc2cccc(-c3nnc(C4CCN(CC5CCOCC5)CC4)o3)n2n1	1.9
Cn1cnc(-c2cnc(O[C@@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C[C@@H]3F)c(C(N)=O)c2)c1	9
Fc1ccc(cc1)Oc1ccc2c(c1)c(=O)n(c(n2)C)CC1CCCN(C1)C(C)C	1.6
Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4sccc34)CC1)CCCC2	2.67
Cn1c(SCCCN2CC3C(C2)N(CC3)c2ccc(cc2)C(F)(F)F)nnc1c1ccncc1	0.1
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OC(F)(F)Oc3c2)Cn2c3c1c(F)cnc3ccc2=O	28.2
O=C(c1ccc(nc1)OCC(F)(F)F)NC1COc2c(C1)c(ccc2)c1cccnc1	25.1
O=C(Nc1ccc(Cl)cn1)[C@H](COCCO)Oc1ncnc2c1cnn2-c1ncccc1Cl	50.1187
OC(=O)C(N1CCO[C@H](CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1	31.6
Clc1cccc(c1)N1CCN(C1=O)CCN1CC2(CC1CC(C2)c1ccccc1)C	0.063
CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CNC5)ccc32)no1	23.5
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	25
CCCCCCCCn1c(NC2CCN(CCc3ccc(OC)cc3)CC2)nc2ccccc21	3.27
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@@H]1CNCCO1)C#CC(O)(C)C	26
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1F	11
CS(=O)(=O)OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3	6.0256
COC(=O)c1ccccc1-c1ccc(CN2CCC(COC(=O)c3c4n(c5ccccc35)CCCO4)CC2)cc1.CS(=O)(=O)O	0.131
CC(C1(CCC(C1)NC1C2CCCC1COC2)C(=O)N1CCN(CC1)c1nccc(c1)C(F)(F)F)C	1.3
N[C@H]1CN(c2cnc3nccnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F	9.9
COc1ccc2CCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	29
O=C1OCC(=C1c1ccccc1)c1ccc(cc1)S(=O)(=N)C	100
CN1CCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@@H]1C5=O)c4c3)c2	0.18
O=C(N1CCC(CC1)CNc1ncccn1)OCCc1ccccc1	10
COCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CCNC[C@H]5F)c4n3)cnc2c1	3.9
O=C(NC1CN(C1)C1CCC(CC1)(O)c1cncs1)CNc1ncnc2c1cc(cc2)C(F)(F)F	50
Cn1ccnc1[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	15
CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	33
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)C(F)(F)F	45
O=P(N(Cc1ccccn1)c1cccnc1)(c1ccccc1)c1ccccc1	33
CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC	16.5959
CCC(NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)CCN1CCCC1C)CO	5.1
Cc1[nH]c2ccccc2c1CCN1Cc2ccc(\C=C\C(=O)NO)cc2C1	4.8
O[C@H](CNC(=O)c1n[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	0.2512
CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1	0.7
CN1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3n[nH]c(N)n3)CC2)Cc2ccccc21	3.2
COc1cc(F)ccc1-c1cncc(NC2CCCOC2)c1	9.4
OC(=O)C1=CC(=O)c2c(Cl)cc(Cl)cc2N1	8.9125
Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1.Cl	2.3
O=C(CCCS(=O)(=O)c1ccccc1)Nc1cc[nH]c(=O)n1	67.8
COc1ccc2c(c1)[nH]c(n2)Cc1ccc(cc1)Oc1ccccc1	0.59
CCS(=O)(=O)c1ccc2c(c1)nc(n2COC(F)(F)F)C(C)(C)C	6.2
CC1(NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1)C(F)F	30
CC1(C)CC(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1	17
Cn1cc(-c2nnc(SCCCN3CC[C@]4(C[C@@H]4c4ccc(C(F)(F)F)cc4)C3)n2C)cn1	0.4677
COc1nc2ccc(Br)cc2cc1C(c1cccc(C)c1)C(O)(CCN(C)C)c1cccnc1OC	0.45
Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O	40
COc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1	13
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)NC(c3ccncc3)c3ccc(Cl)cc3)CC2)c1	1.7
Clc1ccc(cc1)-n1cc(C(=O)Nc2c(Cl)cncc2Cl)c(=O)c2cccnc12	0.198
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cc(=O)[nH]cn1	30
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc2CCOc2c1	11.7
Cc1c(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)CC2)ccc2c1COC2=O	17
COc1cc(-c2cn(C3CSc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1	4.75
Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(C(C)C)c(OCCCOC)n1	3.3
Clc1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1	6.9
O=C(O)c1ccc2c(c1)C(=O)OC21CCN(c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cn2)CC1	0.56
COC(=O)C1=CCCN(C1)C	9550
S1[C@H](C)C(=NNC1=O)c1cc2CCCN(c2cc1)\C(=N\CC)\c1cc(OC)c(OC)cc1	6.6
CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1	5.8
Fc1ccc(cc1)[C@H]1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1	0
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)S(C)(=O)=O	33
COc1cc(ccc1n1cnc(c1)C)c1nnn(c1)C1CCCCN(C1=O)CC(F)(F)F	21.9
O1[C@H](CC)[C@@](O)(C)[C@H](O)[C@@H](C)C(=O)[C@@H](C[C@](O)(C)[C@@H](O[C@H]2O[C@@H](C[C@@H]([NH+](C)C)[C@H]2O)C)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@](O)(C2)C)[C@@H](C)C1=O)C	147
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	19.5
Fc1ccc(cc1)COCCN(C(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2)C	8.62
CCOC(=O)C1CCN(CCCOc2ccc(cc2)S(=O)(=O)NC(=O)Nc2ccccc2)CC1	78.7
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccoc1	0.1514
Brc1cnc2nc(oc2c1)N1CCN2CCC1CC2	2.3
CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C11COC1	10
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)c1cc(c(cc1Cl)F)S(=O)(=O)NC1CC1	12
NC(=O)Nc1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1	4.8
OCCC1CCCCN1C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	3.08
Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC[C@@]3(CC23)c2ccc(cc2F)C(F)(F)F)n1C	0.6
Nc1nc(cn1CC(O)c1ccc(Cl)cc1Cl)C1CC1	4.5
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC1CCCCC1	33.6
C(Cc1ccc2nonc2c1)N1CCN(CCc2ccc3nonc3c2)CC1	0.067
CCCOc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1	7.3
O=C(NC1CCC(CC1)(O)c1ccc(cc1C)O)CCc1ccccc1	10
O=C1NN=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@@H]2C[C@H]12	6
CCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1.Cl	3.26
O=C(Cc1cccnc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1	10
COCC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C	80
CC1Cc2c3cc(F)ccc3[nH]c2C2(N1)C(=O)Nc1c2cc(Cl)cc1	30
CO[C@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1	88
Fc1ccc(cc1)N1N=C[C@H]2[C@@H]1C=C1CCN(C[C@@]1(C2)C(=O)c1ccccn1)S(=O)(=O)c1ccc(c(c1)Cl)Cl	10
CCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1	5.9
Oc1ccccc1[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F	6.6
O=CN(C(CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)F)CC(c1ncc(cn1)F)C)O	26
COc1ccc2nccc(CC[C@H]3CC[C@H](NCc4cc5c(cn4)OCCO5)CC3)c2c1	0.94
COc1ncc(cn1)-c1cccc(F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1	7.9
CN1CCN(CC1)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)OCC(F)(F)F	7.9
Oc1c(CN2CCCC2)cc(cc1CN1CCCC1)Nc1ncnc2c1cccc2	18.2
NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n(C3CCCNC3)c2n1	2.9
O(C[C@H](O)C[NH+]1CC[NH+](CC1)CC(=O)Nc1c(cccc1C)C)c1ccccc1OC	14.6
COc1ccc2c(c1)CCN(CCC(F)Cc1ccccc1)CC2	0.553
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1	3
CCn1nc(oc1=O)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1	51.5
O=C(NC1CC1)c1cn(-c2cccc(c2)-c2ccncc2)c2ncccc2c1=O	18.6
Cc1c(C)c2c(OC3CCN(Cc4cscn4)CC3)ncnc2n1Cc1ccccc1	0.5
Cc1nc(C)c(s1)-c1nnc(SCCCN2CCC3(CCc4ccc(F)cc34)C2)n1C	6.3
COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3cn(-c4ccc(Cl)cc4)nc3c2=O)C1	2.5
CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(OC)nc1	1
Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4sccc34)CC1)CCCC2O	4.05
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4F)C3C2)n1C	15.8489
COc1cccc(-c2cccc(C3(C)CSCC(N)=N3)c2)c1	9
CN(CCNc1nc(c2ccc(cc2Cl)Cl)c2c(n1)N(C(=O)NC2)c1c(Cl)cccc1Cl)C	0.5
COc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCN(C)CC1	0.1
Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C	0.012
CC(OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc4[nH]c(=O)oc4c3)[C@H]2C1)c1cc(Cl)cc(Cl)c1	8.5
N#Cc1ccc(S(=O)(=O)N2C[C@H](S(=O)(=O)c3ccc(Cl)cn3)[C@@](O)(CN)C2)c(Cl)c1	8
CC(C)(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1	1.2589
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(C)nc1C	20.4
Nc1nc(c2ccccc2Cl)c2c(n1)N(C(=O)NC2)c1c(Cl)cccc1Cl	7.2
CC#Cc1cncc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CC1	14.4
NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N	100
O[C@@]1(CC23CCC(CC2)(CO3)NCc2nc3NC(=O)COc3cc2Cl)Cn2c3c1c(F)cnc3ccc2=O	76.85
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc2c(CC(=O)NS2(=O)=O)c1)c1ccccc1	31.6
N[C@@H]1CCCN(C1)c1nc2[nH]c(Br)cc2c(=O)n1Cc1ccccc1C#N	300
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1cnccn1	1.4
Cn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c(C(N)=O)n1	2.9
CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1	8.1
Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1	1.4
OC1(CNCC(=O)N2CCc3ccccc3C2C2CCCCC2)CCCCCC1	50.1
CNC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C	1.6
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2ccoc12	0.9
CCc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1	4.5
O=C(C1CC(Oc2cccc(Cl)c2)CN1)N1CCCN(C2CCC2)CC1	7.2
COc1cnc2ccc(=O)n(CCN3CCN(CC3)c3nc4cc(ccc4[nH]3)C(F)(F)F)c2c1	10
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)n1	5.5
CCCOc1ccccc1c1[nH]c(=O)c2c(n1)[nH]nn2	2.5119
Clc1ccc(cc1)c1cc2C(NC(=O)c3c[nH]nc3)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	0.38
N[C@@H]1[C@@H](COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)NC1=O	29.1
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1	10
CN1CCN(c2c1ccc(n2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O)C	30.6
CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c3cccc(C)c3	3.1623
CCNS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1	3.383
COc1ccc(cc1)C1CN(CC1CC(=O)NCc1cccc(c1)Cl)CCc1ccc(c(c1)OC)OC	0.034
Cc1ccc(Nc2c(nc3CN(CCn23)C(=O)CN)-c2ccc(F)cc2)cc1	11.1
O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1	0.4
COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@]3(O)CCN(CC(N)=O)C[C@@H]3O)nn12	10
CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(Cl)c1	1.2
C[C@@]1(c2cc(CNC3(C(F)(F)F)CC3)c(F)cc2F)CCSC(N)=N1	3.5
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccc(NC(=O)C2CC2)c1	20
CC(C)(C)CCC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1	10
NC(CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=O)O)cc1)Cc1ccc(F)c(F)c1.O=C(O)C(F)(F)F	79
OC(=O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1	17
COc1cc(N2C[C@@H]3CC[C@H](C2)[C@H]3Nc2nc3n(n2)CCCCC3c2ccc(F)c(F)c2F)ncn1	0.55
Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2C[C@@H]3CNC[C@@H]3C2)nn1	2.5
CCN(CC)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)cc2)cc1	4.74
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cccn1	30
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(=O)OC(C)(C)C	101.1
CCOc1cc2ncc(c(c2cc1N1CCOCC1)Nc1ccc(cc1F)F)C(=O)N	30
CC1(C)C[C@@H](NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl	30
COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CCOCC1	21
CCC(=O)NCCc1ccccc1c1ccc(c(c1)Cl)[C@H]1CNCC[C@H]1c1ccn(c(=O)c1)C	2.8
CCCNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1	0.48
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CC2CN(CCO)CC(C1)O2	1.5
CCOC(=O)CN(c1ccc(c(c1)Cl)Cl)C1CCNCC1	1
Cn1c(N2CCC(C)(N)CC2)nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O	0.2
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0.6
COc1cnccc1[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	8.2
CC[C@@H]1CN2CCc3c([C@H]2C[C@H]1CC1=NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC	12.5
Fc1ccc(cc1)c1ccc2c(c1)CCN(C2=O)CCN1CCCC1C	0.3
CCCCC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1)c1ccc(F)cc1	14
COc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1	7.9
COc1c(C)cc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncc(c1)C#CC	17.5
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)c1cc(c(cc1Cl)F)S(=O)(=O)N	30
COc1ccc(cc1)C1CCC(CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	1
O[C@H](COc1ccc(Cl)cc1)CN1CCN(Cc2c(F)cccc2Cl)CC1	2.07
O=C(O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1	6.3096
C[N+](C)(CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N.[Br-]	10.8
Clc1ccc(OCCCc2cccc(CCCOc3ccc(Cl)cc3)n2)cc1	0
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccc(c1)C#N	1.5
C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1	25.1
CN1CC(C)(NC(=O)Nc2cccc(-c3nnnn3C)c2)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O.Cl	15.7
Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C	50
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5cc(F)ccc5F)C4)C[C@@H]3C(=O)O)c2c1	9.97
Cn1c(CCCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1scnc1C	10
NS(=O)(=O)c1ccc(OCCCCN2CCCC2)cc1	100
COc1c(cc(CN2CCN(CC2)C(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1C(C)(C)C)C(C)(C)C	0.1
O=C1N(Cc2ccc(cc2)-c2ccccc2-c2n[n-]nn2)C(=NC12CCCC2)CCCC	193
COc1cnc2ncc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c2c1	100
CN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)nccc2	2.51
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1	9.7724
FC(F)(F)c1cc(ccn1)C(=O)NCCCNc1nc2ccccc2[nH]1	22.39
OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1	10
CCOC(=O)C1=C(CN2CCOC[C@H]2CO)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Br	24.2
COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(C)cn1	26
CN(C)CCCSc1ccccc1NC(=O)\C=C\c2ccccc2	15.8489
O=C(N1CCC(CC1)CNc1ncccn1)OCc1ccc(cc1)C(C)(C)C	4.2
C(CN(c1ccccc1)c1ccccc1)NCCc1ccccc1	0.062
OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCOCC(F)(F)F)nc1	15.8
COc1ccccc1CNCc1cccc(c1)CCNCC(c1ccc(c2c1sc(=O)[nH]2)O)O	10
CCOc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1	16.8
C[C@]12Cc3cnoc3C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C	16.2181
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(Cl)cc2C1	33.3
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1F	1.4
CN1CCc2cc3nc(N)sc3cc2CC1	33
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N	100
Clc1cc2c(n(cc2C2CC[NH2+]CC2)-c2ccc(F)cc2)cc1	204.0001
COc(cc1)c(OC)cc1[C@](C#N)(C(C)C)CCC[N@@H+](C)CCc2cc(OC)c(cc2)OC	0.1413
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O	4
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)C1CC1	30
Clc1ccc(cc1)c1cc2C(NC(=O)c3n[nH]cc3C)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	5.3
Cn1cnc(CC(=O)N2CCC(CC2)c2ccc(NC(=O)c3ncc([nH]3)C#N)c(c2)C2=CCCCC2)c1	10
C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O	2.5704
COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1	0.247
FC(C(COc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1)(F)F)F	5.13
C1Cc2sc(Nc3ccccn3)nc2-c2cn[nH]c12	17
C[C@@H]1CN(CC(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl	10
Cc1[nH]ncc1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1	1.1
N[C@H]1CN(C(=O)c2cnc3ccccc3n2)C(=O)[C@H]1C(=O)N1CCCC1	300
O=C1COc2c(N1)nc(nc2)CNC1CCC(CC1)[C@H](Cn1c(=O)cc(c2c1cc(F)cc2)C)N	333
COc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)c3nc(C)sc32)cc1	1.5
Clc1ccc(cc1)C1(CC1)c1nnc2c(cccn12)C1CC1	60
CS(=O)(=O)Nc1ccc2c(c1)nc1n2C[C@H](N)[C@@H](c2cc(F)c(F)cc2F)C1.O=C(O)C(F)(F)F	2.5
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(Cl)n(C)nc1-c1ccccc1	6
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Br)cc2)n1C	0.5667
CN1CC=CCC(C1)c1ccc(Cl)c(C)c1	26
O=C(N(CCC[NH+](CC)CC)CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccc([N+](=O)[O-])cc1	0.32
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(CC(F)(F)F)c2ccc3ccccc3c2)nn1	0.6
Cc1cc(-c2cccc([C@H](CC(=O)O)CN3CC[C@@H](CCc4ccc5c(n4)NCCC5)C3)c2)[nH]n1	25.1189
CNCCC(c1ccccc1)Oc1ccccc1C	6.26
Fc1cc2[nH]c(-c3ccccc3)c(c2cc1)[C@@H]1C[NH2+]CC[C@@H]1F	4
N[C@@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(n1)Nc1cccc2c1[nH]cc2	24.9
CN(C)C(=O)CN1CCc2cc3nc(N)sc3cc2CC1	33
COc1ccc(cc1)[C@H]1CN(CCC2CCOCC2)C[C@@H]1CNC(=O)c1cccc(Cl)c1	1.96
COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1	0
CCCCc1cc(OC2CCN(CCCNS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl	0.0631
CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](CO)c3ccc(F)cn3)nc12	52
CC(C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1	2.8
CC1(C)CC(Nc2ccc(-c3ccc4ccccc4c3)nn2)CC(C)(C)N1	1.5
C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	10.5
ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(=O)N2CCCC2)cc1	100
CC1=C(C)C(=O)C(=C(C)C1=O)CCCCC#CCCCC#CCO	14.1254
Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(cc2)N2CCOCC2)no1	33
O=C(NC1CN(C1)C1CCC(CC1)(O)c1cncs1)CNc1nc(C)nc2c1cc(cc2)C(F)(F)F	25.7
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3cc(F)cc(C(F)(F)F)c3)C2)n1C.Cl	1.9953
N[C@H]1CO[C@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	23.9
Clc1ccc(cc1)CCN1CCC(CC1)C(=O)c1ccc(cc1)Cl	0.019
COc1cccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c32)n1	2.3
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	50.1187
COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@](c4cnn(C)c4)(c4noc(C)n4)N3)n2)n1	3.619
NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12	11.589
Cc1cccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)c1	6.3
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(nc1)C(F)(F)F	8.2
CC1COc2c(O1)cc(nc2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	60
CC(C)Oc1cc([C@@](Cc2ccccc2)(NC(=O)C(O)C(O)(C(F)(F)F)C(F)(F)F)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F	11
N[C@H]1[C@@H](CNC1=O)Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	39.9
CN(Cc1ccc(c(c1)C)C(=O)Cn1ncc(cc1=O)OCc1ccc(cn1)Br)C	9
OC(COc1ccc(cc1)NS(=O)(=O)C)CNCCc1ccc(cc1)Cl	1.39
OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21	50
O=C(NC1CN(C1)C1CCC(CC1)c1cccnc1)CNC(=O)c1cccc(c1)C(F)(F)F	1
CCOc1ccc(nn1)-n1ncc(c1C)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1	10.4
Cc1cccc(c1)N1CCN(CC1)CCCCCCN1CCN(CC1)c1cccc(n1)C	4.1
S1c2c(N(c3c1cccc3)CC[C@@H]1[NH+](CCCC1)C)cc(S(=O)C)cc2	0.55
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)c1nnn[nH]1)c1ccccc1	18.197
CC1COc2cnc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)cc2O1	60
CCCc1c(OCCCN2C(=O)Cc3cc(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F	10
O=C1COc2c(N1)nc(cc2)CNC1CCC(CC1)[C@H](Cn1c(=O)cc(c2c1cc(F)cc2)C)N	333
CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12	12
CN1CC(Cn2nc(-c3cnc4[nH]cc(C(=O)NC(C)(C)C)c4n3)c3cc(OC(F)F)ccc23)C1	0.293
COC1CN(CCC1N(C(=O)Cc1ccc(cc1)n1cnnn1)C)Cc1ccc(cc1)C(F)(F)F	1.6
NCc1c(C)nc2c(c1c1ccc(cc1Cl)Cl)CN(C2=O)c1ccc(cc1)F	1
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O	60
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H](CO3)O[C@]3(Cn4cc[nH+]c4)c5c(Cl)cc(Cl)cc5	1.9055
CN1CCC(CC1)c1nn(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2ccccc12	10
COc1ccc2ncc(F)c(CC(OCC(=O)O)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	3
CS(=O)(=O)Nc1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F	2.5
CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1	10
O=C(C1(CC1)c1cccc(c1)C(F)(F)F)Nc1cc(ccc1n1cncn1)C(F)(F)F	50
CN1CC=CCC(c2ccc(Cl)c(Cl)c2)C1	7.6
COCCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C	30
CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12	6.7
Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC3C[C@@]3(C2)c2ccc(cc2F)C(F)(F)F)n1C	1
COc1ccc2c(c1)c(-c1cccc(c1)C(F)(F)F)c(C#N)n(CC(O)CO)c2=O	16
COc1ccc(NC(=O)N2CCN(c3nc(N)nc4sccc34)[C@@H](C)C2)c(C)c1	8
Fc1ccc(c(c1)C1=NN(C(C1)(CCCN1CCN(CC1)C(=O)C)c1ccccc1)C(=O)C)F	30
Fc1cc2c([nH]c(-c3ccccc3)c2[C@@H]2C[NH2+]CC[C@@H]2F)cc1	7
COc1cc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cccc(F)c2)cnc1OC	1.9
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)CN2c3c1c(F)cnc3CCC2=O	60
COC(=O)C1=C(C)NC(C)=C(C(=O)NC[C@H]2CCN(CCc3ccc(Cl)c(Cl)c3)C2)C1c1cccc([N+](=O)[O-])c1	0.65
CN1CC2C(C1)CC(C2)N(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)C(F)(F)F)F	1.72
OCC1CCCN1CCCOc1ccc2c(c1)ncnc2Nc1[nH]nc(c1)CC(=O)Nc1cccc(c1F)F	30
O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1	22.7
CNC(=O)c1ccn2c1COc1c2cccc1CCN1CCN(CC1)c1cccc2c1ccc(n2)C	1.6
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CC1(O)CN2c3c1c(F)cnc3CCC2=O	60
Fc1cccc(F)c1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1	7.9
N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C3CC3)cc2)n1	35
CCc1ccccc1C(=O)N(C1CNCC1)CC1CCC1	16.3
CC(C)OCC1(CCCN1)C(=O)c1ccc(N)c(Cl)c1	10
CCOc1cc(ccc1OC)CN1CCC(CC1)Nc1nc2c(o1)cccc2	0.1
C[S+]([O-])c1ccc(-c2cnc3ccc(NC4CCN(S(C)(=O)=O)CC4)nn23)cc1	25.9
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C	1.9953
COc1cc(-c2cn(C3(C)CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1	6
OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1	7.6
CCOC(=O)CCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	1
CC(C)Cc1ccc2nn(C)cc2c1NS(=O)(=O)c1ccc(CCCOC[C@@H]2CN(C)CCO2)cc1	5.6
Cc1cc(C)nc(Nc2cc(NC[C@@H](N)C(F)(F)F)cnc2C(N)=O)c1	42
C[C@@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1	100
Cc1nc(sc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1	80
COC(=O)C(CCC(=O)N1CCN(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C	16.8
N[C@H]1Cn2c(nc3cnccc32)C[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	89
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C([NH3+])C2CCCCC2)cc1)C(O)=O	90
CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1	24.7
CN1CCCC(CNC(=O)c2nn(C)cc2NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)C1	12
CCc1nc2c(n1[C@@H]1C[C@H]3CC[C@H](C1)N3CC[C@@H](c1ccc(cc1)F)NC(=O)C1CCS(=O)(=O)CC1)cccc2	10
COc1ccc2c3c1O[C@@H]1[C@@]3(CCN(C2)C)C=C[C@@H](C1)O	760
COc1ccc2ncc(CO)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	3.65
O=C(NC1CN(C1)C1CCC(CC1)c1ccc(cn1)O)CNc1ncnc2c1cc(cc2)C(F)(F)F	12.9
Fc1cnc2cc(cnc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)C(F)(F)F	0
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCN2CCCCC2)cc1	100
Cl.FCCOc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1	0.38
COc1ccc2c(OC(C(C)S2(=O)=O)c2ccc(OCCCN3CCCC3)cc2)c1	1.7
Oc1ccc(cc1c1nc(N[C@@H]2CNCC2)c2c(n1)cccc2)c1n[nH]cc1	16
CC(C)(O)[C@@]1(CC[C@H](C1)N1CCC(CC1)c1cc(Cl)ncn1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.186
Cc1ccc(COCc2cccc(COCc3ccc(C)cc3)[n+]2C)cc1	0.1
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)C1=NCCS1	25.2
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1	5.6667
O=P(Nc1cccc(c1)C#N)(c1ccccc1)c1ccccc1	33
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CCc1nc2ccc(Cl)cc2[nH]1	0
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1cnc(cn1)C#N	100
OC(c1ccnc(Cl)c1)(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(F)(F)F	10
CN1CC2C(C1)(C2)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(C)C	1.6
O([C@H](CCNC)c1ccccc1)c1ccccc1C.N1(C[C@H]2CN(C[C@@H](C1)C12CCCCC1)CC(C)C)C(C)C	62.7
Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(n1)-n1nccn1	44
OCCC1(CCN(C(=O)O1)C(c1ccc(cc1)c1ccc(cc1F)F)C)c1ccc(cc1)F	10
CN([C@@H]1CCN(Cc2ccc(nc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1	15
CCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@H](O)c2ccccc2	19.4984
N[C@H]1C[C@@H](N2Cc3nn4nccnc4c3C2)CO[C@@H]1c1cc(F)ccc1F	23
CC1CCCN(C1)CCCOc1ccc(cc1)n1c(C)nc2c(c1=O)cccc2	5.3
COc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1	19.9526
O=C(C(c1ccc(cc1)OS(=O)(=O)C(F)(F)F)C)NS(=O)(=O)c1ccccc1Cl	10
Cc1cn(-c2ccc3n(c2=O)CCN(C[C@@]24C[C@@H]2C(C)(C)Oc2ccc(C(F)(F)F)cc24)C3=O)cn1	15.6
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1cc(C)on1	2.8
FC(F)(F)CCOc1ccc(cn1)C(=O)NCCc1ccccc1-c1cccnc1	6.3
Clc1ccc(cc1)C(=O)C1CC[N+](CC1)(CCc1ccccc1)CCc1ccccc1	0.011
COC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1	47.3
O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(Cl)cc1	1.45
C[C@@H](C1CCC(N(C)C(=O)c2cccc(F)c2)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1.Cl	78
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC)c(=O)o1	7.7
COc1cc(ccc1n1cnc(c1)C)c1nnn(c1)C1C[C@H](CCN(C1=O)CC12CC3CC(C2)CC(C1)C3)C(C)(C)C	0.87
FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl	10
COc1ccc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)nc1	13.1
Nc1nc2cc3CCN(Cc4ccccc4)CCc3cc2s1	7.8
CN(C)C(=O)CNCCc1cccc(OCCCC(C)(F)F)c1.Cl	7.6
COc1ccncc1c1nnc(n1C)SCCCN1CCc2c(CC1)ccc(c2)c1noc(c1)C	0.16
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=N)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F	30
O=C(O)C[C@H](CN1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1)c1cccc(C2CC2)c1	5.0119
Cc1cc(=O)n(C)nc1N1CCC2(CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)C1=O	21
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(nc1)C(F)(F)F	10
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1	13.8
N=C(c1cccs1)Nc1ccc2c(c1)CCCN2C1CNCC1	30
COC(=O)C(CCCN(C)CCCc1nc2ccccc2[nH]1)(C(C)C)c1ccc(Br)cc1	0.178
OC(Cc1ccccc1)(c1cccnc1)c1cccnc1	60
Cc1cc(CNc2nc(N)nc3ccn(Cc4ccc(F)cn4)c23)no1	2
Cc1ccc(Cn2c(nc3ccccc23)C2CNCCS2)cc1	0.9
O=C1Nc2ncccc2C2(O1)CCN(CC2)C(=O)N[C@@H]1CC[C@H](Cn2c1nnc2CC(F)(F)F)c1cccc(c1F)F	30
CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1	6.6
Cc1cc(C2C[C@H]3[C@@H](C)SC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)on1	2.1
Nc1ncc(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCNCC1	5.5
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1	80
Nc1ccc(-c2cccs2)cc1N	1.6
CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1	50
Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12	30
O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1	25.1
COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1)C#N	4.7
Fc1ccccc1-c1nc2ccn(Cc3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)no3)cc-2n1	0.79
CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc5nonc5c4)CC3)CC(=O)c2c1	0
CCc1ccn2ccnc2c1N1CCCN(CC2CCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3O4)CC2)CC1	1.3
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(N)=O)ncc1F	20
CC(C)(O)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	19
CC(C)(NCc1cc([C@]2(C)CCSC(N)=N2)c(F)cc1F)C(F)(F)F	11.2
CCCCCCCN(CC)CC#CCOC(c1ccccc1)c1ccccc1	0.97
Cc1onc(c1NC(=O)OCc1c(F)cccc1Cl)-c1c(Cl)cccc1Cl	26.3
CN1CC(C1)c1c[nH]c2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O	12
CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12	32
COc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)n3nc(C)cc32)cc1	8.6
O=C1OCc2cc(CCC3(F)CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21	2.1
CCOC(=O)N1CCN(Cc2noc(n2)-c2cc(Cl)ccc2F)CC1	31
FC(F)Oc1cc(ccc1OC(F)F)[C@H](C=1C=C[C@@H](NC=1)C(O)(C)C)c1cc[n+]([O-])cc1	22.7
CC(N1CCCC(C1)Cn1c(C)nc2c(c1=O)nc(cc2)Oc1ccc2c(c1)OCO2)C	13.6
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CN(CC(F)(F)F)C1=O)C(F)(F)F	13.1
CN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CNCCC3(F)F)n2)cn1	19.9526
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1	2.6
CC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCC2)cc1	32
Cc1cc(-c2nc3c4CCN(CCCSc5nnc(-c6cccc7nc(C)ccc67)n5C)CCc4ccc3o2)n(C)n1	0.79
C[C@@H](Oc1ccc([C@H]2CC[C@@H](C(N)=O)N2)cc1)c1ccccc1	3.9811
C[C@@H]1[C@H]2CN(CCCC3CCOCC3)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F	0
[O-][N+](=O)c1cn2c(n1)OCC(C2)OCc1ccc(cc1)OC(F)(F)F	10
O=C(C(n1c(nc2c1cc(F)c(c2)F)c1ccc(cc1)Cl)C1CCCCC1)Nc1ccc(cc1F)C(=O)O	20
Cc1cc2nc(\C=C\c3ccccc3)n(Cc3ccc(Cl)cc3)c2cc1C	4
CCN(C1CCN(CC[C@H](N2CCN(CC2)S(=O)(=O)CC(F)(F)F)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	5.8
OC(COc1ccc(F)cc1C(=O)CCc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1	4.8
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(s1)C#N	2
N12[C@H](c3c(Cc4c1cccc4)cccc3)CN(CC2)C	14.78
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c(F)cc1C	16
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1cccs1	10
FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1cn[nH]c1	0.5
CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1C	0
Cc1cc(-n2cnnn2)ccc1CC(=O)N1CCN(CCc2ccc3c(c2)COC3=O)CC1	1.4
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F	20
N#Cc1ccc(cc1)Cn1cncc1CNC1CCN(C1=O)c1ccncc1	3.2
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1cccc(c1)C(O)=O	7
O=C(N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F	20
CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1	30
Cc1c(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cccc1C(N)=O	1.1
COc1ccc(cc1)C1CN(CC1Cc1nc2c([nH]1)cc(cc2)Cl)CCc1ccc(c(c1)OC)OC	0.028
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2c(cccc12)C(C)(C)O	2
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(F)cc3)CC2)cc1	0
Cc1ccc(cc1)C#CCOCc1cccc(COCC#Cc2ccc(C)cc2)[n+]1C	0.1
CN(C)C(=O)CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1	33.3
Clc1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1	0
Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c(F)c1	0.634
COc1cc(-c2cn(C3CCc4ccccc4N(Cc4ccccn4)C3=O)nn2)ccc1-n1cnc(C)c1	7.57
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1cccs1	30
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F	30
COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[C@H]4COc5ccccc5O4	0.3236
CCn1cc(cc(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(F)c1	2.7
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1	30
O=P(Nc1cccnc1)(c1ccccc1)c1ccccc1	33
CCOC(=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1	0
CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C	12.5893
Fc1ccc(cc1)C(CCC[NH+]1CC[NH+](CC1)CC(=O)Nc1c(cccc1C)C)c1ccc(F)cc1	0.0158
Cc1ccccc1S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1	30
CCCCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	3.5
COCCC(=O)N1CCSC(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)C1	1.8
Fc1cc(ccn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	0.2
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(Cl)cc4F)nc3c2=O)C1	1.3
CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1	1.9
CN(CCO)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1	10
Cc1cc2=C(Nc3ccccc3N=c2s1)N1CCNCC1	14.1254
CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1	20.3
O=C(N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O)c1ccc[nH]c1=O	50
COC1CC(OC(C)C1O)OC4C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)CC3(CO3)C(=O)C(C)C(O)C(C)C(C)OC(=O)C4C	338.8442
Clc1ccc(c(c1)F)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C	0.5
Clc1ccccc1OC1CCN(C1)S(=O)(=O)c1ccc2c(c1)CCNCC2	5.24
NC1CCN(CC1)c1ncnc(c1)Nc1ncc(s1)C#N	6.6
O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCCC3	6.3
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cccnc1	30
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C(C)C)CC1	17
O=C(NC(c1ccncc1)c1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1	8.4
O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC(NCc2cc3c(nn2)OCCO3)CC1	238
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cnsn1	10
Nc1nccn2c([C@@H]3CCCN(C4CCOCC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12	0.1
Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(CN2CCC3(CCNC3)CC2)cc1	0.237
N#Cc1ccc(cc1Cl)N([C@H]1CCN(C1)C(=O)C(O)C)Cc1cc(Cl)ccc1Cl	2.2
Clc1cc(c-2c(c1)\C(\c1cc(Cl)ccc1-2)=C/c1ccc(Cl)cc1)[C@@H](O)CNCCCC	5.49
CC(C)OC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccccn1	63.0957
CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1	12.5893
COc1cc(F)ccc1-c1cccc(CNC2CCCC2)c1	2.1
CN(C/C=C/C=C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCO2.Cl	8.7
Cc1n(nc2c(nnc(C)c12)N1CC[C@@H](F)C1)-c1ccc(OCC(F)(F)F)cc1	0.3
O[C@H]1CCN(CCn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1	9
COc1ccc2SCC(=O)N(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1	6
O=C1COc2c(N1)nc(cc2)CNC1CCN(CC1F)CCn1c(=O)ccc2c1cc(cn2)Oc1cccnc1	75
CN1[C@H](C(N)=O)CC[C@@H]1c1ccc(OCc2ccccc2F)cc1	50.1187
O=C(NC1CN(C1)C1CC[C@](CC1)(F)c1ccccc1)CNC(=O)c1cccc(c1)C(F)(F)F	3.3
N[C@H]1Cn2c(nc3cc(C(F)(F)F)ccc32)C[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F	7.5
CCCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1	6.3
CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12	9
CC1(C)OC(=O)N([C@H]2CC[C@H](c3cnc(N)c(-c4ncccn4)c3)CC2)[C@H]1c1ccccc1	10.9
NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CC[N+]1(CCCC1)C2.[Br-]	3.51
CC/N=C(\N1CCCc2c1ccc(c2)C1=NNC(=O)SC1(C)C)/c1ccc(c(c1)OC)OC	0.6
C[C@@H](CO)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)Nc2nccs2)c1	9
COc1nc2ccc(CC(C)=O)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12	10
COC1=CC(=O)O[C@H](C1)\C=C\c2ccccc2	16.2181
O=C1OCc2cc(/C=C/C3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21	1.8
CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O	50
COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1	1
CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1.Cc1ccc(S(=O)(=O)[O-])cc1	0.05
O=C1C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2([C@H]1[C@@]1(C)CC[C@@H](C([C@@H]1CC2)(C)C)O)C)C)C(=O)O	100
Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccncc23)cc1	0.1585
c1cc(F)ccc1C(=O)CCC[N@H+](CC2)CC[C@]2(O)c3ccc(Cl)cc3	0.019
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(F)c2)n1C	1.3333
CCCCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1	27.5
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1	4.6
FC(F)(F)c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1	0.158
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1	1.5
NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CC[N+]1(CCOCC1)C2.[I-]	12.4
[NH+]1(CCCC[C@@H]1c1c2c([nH]c1-c1ccccc1)cccc2)C	7
CC(C)(CO)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCS(C)(=O)=O)c2cc(F)ccc12	2
COCc1ccc(-c2ccc3ncc(C(N)=O)c(N[C@@H](C)C4CCOCC4)c3c2)cn1	4.5
Nc1ncc(cc1-c1nc2ccccc2o1)-c1cnn(c1)C1CCNCC1	0.75
COc1cc(OC2CCN(CC2)C(C)=O)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12	10
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2(CC2)c2ccccc2)c1	0
CC[C@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CCOCc12)c1ncccn1	10
COc1cccc(c1)C1CCN(CC1)C1CCC(C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.217
ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c([nH]c3ccccc23)-c2ccccc2)c(F)c1	19.3
CNC1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1	3
COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O	10
O=S(=O)(C1CC1)c1cccc(c1)-c1ccc2ncc(-c3ccc(cc3)-c3nnn[nH]3)n2n1	33
Oc1ccc2CC3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)c7[nH]c8ccccc8c7C[C@@]36O	2.4547
Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1.Cl	2.1
O=C(N1CCc2[nH]c(nc2-c2c1cccc2)C)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1	2.24
CC#Cc1cncc(c1)c1cccc(c1)C1(N=C(c2c1cc(F)cc2F)N)c1cc(C)c(=O)n(c1)CC	3.1
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3cc(C)c4OCC(=O)Nc4n3)c2n1	1.15
CCn1cc(cn1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1	39
N#Cc1nc(OCCC2CC2C2CCN(CC2)c2ncc(cn2)C)nc(c1)C	4
CN1CCCc2cc(NC(=O)c3ccc(o3)-c3ccc(Cl)cc3)ccc12	5.3
CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4cccc5cccnc45)cc3c2=O)C1	25.1
Cc1c(N2CC3CC3(N)C2)c(F)cc2c(CN)c(F)c(=O)n(C3CC3)c12	114
NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1	0.6
Clc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1	28
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)C(C)C)CC2)c2ncccc2c1.Cl.Cl	0.1288
O=C(c1cccc2c1nc(o2)N1CCOCC1)NC1CN2CCC1CC2	3.2
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCN2CCN(C(C)C)CC2)cc1	4.5
C[C@H]1N(CCn2c1nnc2-c1nc(ns1)C(F)(F)F)C(=O)c1ccc(F)cc1	39
Brc1cc(cnc1)C(=O)N1CC[C@@H]([NH2+]Cc2n(cnc2)Cc2ccc(cc2)C#N)C1=O	6
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CC(C2)N2CCCOCC2)c1	3
Cc1c(CNC2CCCC2)nn(c1-c1cccnc1)-c1ccc(Cl)cc1Cl	2.9
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C	41.7
CC(C(O)c1ccc2[nH]c(=O)oc2c1)N1CCC(O)(CC1)c1ccc(F)cc1	2.6
Fc1cc2onc(c2cc1)C1CCN(CC1)CCC=1C(=O)N2C(=NC=1C)[C@@H](O)CCC2	1.2
Clc1ccc2c(c1)c1CCCC(c1[nH]2)NC(=O)c1ccccc1F	20
Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O	80
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3)C2)n1C	3.6308
CSc1nc(C)cc(n1)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C	10
COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2)CC1	0.031
FC1CCN(C1)C(=O)[C@H]1NC[C@H](C1)N1CCN(CC1)c1ncccn1	50
Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4C(F)(F)F)C3C2)nnc1-c1cnccn1	1.2589
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(c2ccccc2)c2ccccc2)c1	3.8
CCNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1	33
C[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1	0
N#Cc1ccc(cc1)Cn1cncc1CN(C1CCN(C1=O)Cc1cccc(c1)Cl)CCCc1ccccc1	0.024
CN=S(=O)(c1ccc(cc1)Nc1ncc(c(n1)N[C@@H]1CCC[C@H]1N(C)C)C(F)(F)F)C	20.3
CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCC2.Cl	2.9
COc1cc(Nc2ncc(C)s2)nc(N[C@@H](C)c2ncc(F)cn2)n1	32
CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccc(CS(C)(=O)=O)nc3)cc12	1.9
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)c1	1.6
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)c3c[nH]c4ccccc34	3.8019
CC1=C2NC3=CC(=O)C=CC3=C2CCN1	20.4174
COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(CC3)[C@]3(COC(N)=N3)c2c1	20.8
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)C(N)=O	43.9
C[C@@]1(c2cc(CNCCC(F)(F)F)c(F)cc2F)CCSC(N)=N1	20.4
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccnnc1	12.6
C[C@@H](NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1	0.8
FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12	0.38
CCN1CC2C(C1)C2CN(C(=O)c1ncn(c1)C)Cc1cccc(c1)OC(F)(F)F	2.2
CCCCCCCCCCCCCC[N+](CC)(CC)CC	0.403
CCNCCN1CCCc2c1ccc(c2)NC(=N)c1cccs1	30
CCCCc1nc(C(C)C)c(CC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1	8.1
O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1	0.95
COc1cccc(-c2cccc(C3(C)N=C(N)CS3)c2)c1	9.2
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(cc2)C2CC2)cc1	8.4
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN1CCCCC1)cccc2	0.08
CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1	15
CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(=O)O)ccc2c1	2.5119
Fc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1	0.9
COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1.Cl	3.3
Clc1ccc(cc1Cl)[C@]12CCC[C@H]1CNC2	6.4
C[C@@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@H]1c1ccccc1C	9.2
COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)[C@@H](C)C2)cc1	17
Fc1ccc(F)cc1C=1CN(C(=O)[C@H](N)C(C)C)[C@H](C=1)c1ccccc1	2.4
COc1cc(Cl)c(cc1OC)-c1nc(SCC(=O)N(C)C)nc2[nH]cc(C#N)c12	30
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccccc1	10
Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1	0
Cl.Cl.NCc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1	6.6
COc1ccc2[C@H](C(C)C)N(CCc2c1)C(=O)CNCC1(O)CCCCC1	100
OC(CN1CCC(Cc2ccccc2)CC1=O)c1ccc(O)cc1	30
Cn1cc(cn1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F	13.8
COC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1	10
Fc1cccc(O[C@H]2CN[C@@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1	10
O=C(N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1)c1nnc(o1)-c1ccccc1	8.9
Cc1cnc(Nc2ccc(N3CCC(N(C)CCO)CC3)c(F)c2)nc1-c1cnn(C(C)C)c1	28
CC(Cc1ccc(cc1)C(C(=O)NS(=O)(=O)C)C)C	10
CCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C	23.8
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1	100
ONC(=O)C=Cc1ccc2c(c1)CN(C2)CCc1c(C)noc1c1ccccc1	30
Fc1ccc(cc1)Oc1cnc2c(n1)c(=O)n(c(n2)C)CC1CCCN(C1)C(C)C	16.1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cnccn1	16
CC(C)c1nnc(C)n1C1CCN(CC1)[C@@H](C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1	10
O=c1ccc(c[nH]1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1	10
CN([C@@H]1CCN(C1)C1CCC1)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12	30
CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4	18.6209
NC1=N[C@@]2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1cnc(C3=CCCOC3)cc12	0.9
O=C1CC2C(C1)CN(C2)c1ccc(cc1F)N1C[C@@H](OC1=O)Cn1nncc1	80.4
Cc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1	20
CCc1nc2c3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3ccc2o1	6.3
O=C1OC2(CN1c1ccccc1F)CCC(CC2)c1nc2c([nH]1)cc(cc2)OC(F)(F)F	6.3
CN1CCN(C(=O)c2cccc(-c3ncnc4ccc(-c5cnc6ccccc6c5)cc34)c2)CC1	2.6
CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3ncc4ccccc4c3C#N)c(=O)c12	12
COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc7CCN(C)[C@@H](Cc8ccc(Oc1c2)cc8)c57)cc34	4.8978
FC1CCN(Cc2ccc(cc2)C(=O)N2CCN(CC2)C2CCC2)CC1	10
O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13	10.5
CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1	0.1
N=C(NCCCOc1ccc(F)cc1)Nc1ccc(I)cc1	0.1091
O=C(Nc1ccccc1)c1nn(-c2ccccc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1	8.4
s1cc(C)c(NC(=O)[C@@H](NCCC)C)c1C(OC)=O	223.9999
CC(C)c1cc(C(=O)NC[C@H]2CCN(CCc3ccc(Cl)c(Cl)c3)C2)on1	1.53
OCc1ccc(OC2CCN(CC3CCN(CC3)c3ccccc3C(O)=O)CC2)cc1Cl	645654.2
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)n(c1)C(F)F	0
O=C1OCc2cc(CCC3C4CN(C(=O)Cc5ccc(-n6cnnn6)cc5)CC34)ccc21	5
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccccc2F)c(C)n1	5.9
O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)cc(F)c21	13
Cn1cc2c(OCC3CCN(CCc4ccc(CO)cc4)CC3)nc3ccccc3c2c1	0
FC(F)(F)c1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1	0
COc1cc(-c2cn(C3CCc4ccccc4N(CCF)C3=O)nn2)ccc1-n1cnc(C)c1	3.22
Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@]3(C2)c2ccc(cc2)C(F)(F)F)n1C	0.2
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)c1cccc(c1)C	30
CNC(C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1	23
O=C1OC2(CN1c1cccc(n1)F)CCC(CC2)c1nc2c([nH]1)cc(cc2)OC(F)(F)F	4
CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)cc(C2([S@](C)(=N)=O)CC2)n1	15
Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1OS(C)(=O)=O	32
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCOCC2)o1	12.5892
Clc1c(Cl)c(CNC23CCC(CC2)(OC3)CC2(O)Cn3c4c2c(F)cnc4ccc3=O)cc2c1OCCO2	31.6
COc1ccc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)cn1	3.3
CN(C)C(=O)N1CC(=C[C@@]1(CC[C@H](N)C(F)F)c1ccccc1)c1cc(F)ccc1F	15.9
CC(C)c1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1C	1
OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2	14.4544
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1	27.7
Oc1cccc2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12	0.9
N#Cc1c(\N=c2/scc(-c3ccccc3)n2-c2ccccc2)nc(cc1-c1ccccc1)-c1ccccc1	6.8
CN1CCC(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc32)CC1	1.7
CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1	0
CCc1nc2ccc(C3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1	2.9
CC(=O)Nc1cccc(c1)N1CCN(CC2CCN(CC2)S(=O)(=O)CC2CCCCC2)CC1	2
Cc1cc(CNc2nc(N)nc3ccn(Cc4ccc(C(F)(F)F)cn4)c23)no1	0.5
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1	7.85
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cncnc1	40
O[C@H](CNC(=O)c1c[nH]c(=O)c2c(F)cccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	1.9953
CN(C)CCNC(=O)[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1	31.6228
CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1	2.1
OCCOCC[NH+](CC1)CCN1C2=Nc(cccc3)c3Sc(c24)cccc4	5.75
Cc1noc(c1)c1nnc(n1C)SCCCN1CC2C(C1)N(CC2)c1ccc(cc1)C(F)(F)F	0.1
COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C	7.2444
Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1	6
CCSc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2ccnc(OC)c2OC)cc(SCC)n1	9.2
C[C@@H]1COCCN1c1nc(cc2c1ncn2C)c1c(F)ncc2c1cc[nH]2	30
CCOC1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	4.5
Fc1cc(cc(c1)C(F)(F)F)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C	1
CN1CCN(CCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1	63
N#Cc1ccc(cc1)Cn1cncc1CNC1CCN(C1=O)c1cccc2c1cccn2	8.2
O(CC#CC[NH+](CC)CC)C(=O)[C@](O)(C1CCCCC1)c1ccccc1	25.11
CNC(=O)c1nccc(c1)Oc1ccc2c(c1)sc(n2)NC(=O)Nc1ccc(cc1Cl)Cl	100
N\1(C)[C@@H](CC(/C/1=C/C)(c1ccccc1)c1ccccc1)C	100
CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13	19.9526
CC(C)(C)NC(=O)C1N(Cc2cc(F)ccc2-c2ccc(F)cc2)C(=O)c2ccccc12	33
CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)C(C)(C)S(=O)(=O)C3)cc1	48
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(Cl)cn1)C#N	30
Fc1ccc(cc1)C1(N=C(NC1C)c1cnccn1)c1ccc(cc1)F	10
Cc1nc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)ccc1S(C)(=O)=O	7.9
CCOC(=O)[C@@H]1[C@H]2CN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)C[C@H]21	7
N#Cc1ccc(cc1)c1ccc2c(c1)CCN(C2=O)CCN1CCCC1C	0.14
COc1ccc(OCCCc2cccc(CCCOc3ccc(OC)cc3)[n+]2C)cc1	0.158
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)N(C)C)c(F)c2)n1	3
CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1	6.3
CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N	30
O=C1N2[C@@H]([C@@H]3[C@@H]4N(CCC[C@@H]4C2)CCC3)CC=C1	199.5
OC(C(N1CCOCC1)c1ccccc1)(c1ccccc1)c1ccccc1	65
CN1CCC(COCc2cc(cc(n2)C2(F)CC2)C(F)(F)F)(CC1)c1ccccc1	12
CN1CCOc2c1cnn1c(-c3ccc4ccc(Cl)c(NCC5(F)CCNCC5)c4n3)nnc21	2.1
OC(=O)[C@@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	25.1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)NCC(F)(F)F)c1cccc(F)c1	7.9
CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1C[C@@H](CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O	30
COc1cc2n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ncc4OCC(=O)Nc4n3)c(=O)cnc2cc1F	333
CC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1	100
C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(CC2)Nc2ccc(F)cc2)C[C@@H](C)N1	31.6
O=[N+]([O-])c1ccc(CCN2CCN(CCc3ccc(-n4cnnn4)cc3)CC2)cc1	0.011
CC1CCN(CCCOc2ccc(=O)n(-c3ccc(F)c(Cl)c3)n2)CC1	2.16
Cn1c(CCCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccccc1	1
COC(=O)N1CCN(C(=O)c2ccc(-c3cnn4c(N)c(-c5ccccc5)c(NC5CC(C)(C)N(C)C(C)(C)C5)nc34)cc2)CC1	7.5
CC(C)N1CCN(CC1)C(=O)N1CCC(Cc2ccccc2)CC1	37.6
Cc1nc2cc(F)c(F)cc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	10
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(n2)-c2ccccc2)-c2ccccc2)c1CCC(O)=O	3
CC1Sc2ccccc2OC1c1ccc(cc1)OCCCN1CCCC1	0.025
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4c(F)cccc4F)C3C2)n1C	1
Cc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F	18
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1ncccc21	90
CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc(Cl)cc4F)cc3c2=O)C1	0.1
COc1ccc(nc1)C(NC(=O)Cc1ccc(cc1)C(C)(C)C)C	10
O=C(c1ccc(F)cc1)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1.O=CO	6.3096
O=C(c1cccc(c1)C(=O)N)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	25
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)C(N)=O)cc(OCC)c1F	0.4
CC1CCN(CCCOc2ccc(=O)n(-c3ccc(Cl)c(Cl)c3)n2)CC1	1.46
CCc1oc(CCc2cc(cc(NC(C)=O)n2)N2CCOCC2)nc1C	7
NC(=NCc1ccccc1)NC(=O)c2nc(Cl)c(N)nc2N	2.5704
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cn4)nn3c(N)nc12	21.87
Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3ccccc3O)CC2)n[nH]1	0.1
O=C(N[C@@H](CC(=O)N)C(=O)N[C@H]([C@H](O)C[NH+]1C[C@@H]2[C@H](C[C@H]1C(=O)NC(C)(C)C)CCCC2)Cc1ccccc1)c1nc2c(cc1)cccc2	15.3
c1ccccc1C(C[C@@H](C)[NH2+]C(C)(C)C)c2ccccc2	0.3715
Cc1ccc(CCCOCc2cccc(COCCCc3ccc(C)cc3)[n+]2C)cc1	0.1
C[C@@H](NCc1cc([C@]2(C)CCSC(N)=N2)c(F)cc1F)C(F)(F)F	13.9
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1F)C(O)=O	54
NC(=O)c1ccc2cc1NCC1CCCCN1CCCc1n2c2CC(C)(C)CC(=O)c2c1C	0.9
CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(F)cc4)cc3c2=O)C1	3.1
Oc1cc2c(Cl)c(F)ccc2[nH]c1=O	10
Cc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	0
CCCCCCCN(CC)C/C=C/CCc1ccc(Cl)cc1	0.238
COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1	19
Fc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N	33
Nc1ccc(nc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	37
Clc1ccccc1CC1CCN(C1)S(=O)(=O)c1ccc2c(c1)CCNCC2	5.43
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)NC1CCCC1)c1cccc(F)c1	30.9
CC(C)Cc1ccc2nn(C)cc2c1NS(=O)(=O)c1ccc(CCCCC2CCN(C)CC2)cc1	3.7
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(n1)C(F)(F)F	4.9
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1	3.2
CC(C)C(=O)c1c(Nc2ccc(F)c(F)c2F)[nH]c2c(F)cc(F)cc2c1=O	6.9
O=C1COc2c(N1)nc(nc2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	30
CN(C)c1cc(cc(COCC2(CCNCC2)c2ccc(F)cc2)n1)C(F)(F)F	8.4
NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1	1
COc1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1	66
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C1CC1	6
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(=O)N1CC2CCC(CC2)C1	115
CN[C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@@H](C)C(=O)O[C@H](CC)[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]1(C)O)C)C)O)(C)O	147
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CNC(=O)c1cccc(Cl)c1	0.15
CN1CCC(c2nc(-c3ccc(F)c(NS(C)(=O)=O)c3)c(-c3ccnc(NCC4CC4)n3)s2)CC1	1.34
O=C(Nc1ccc(Cl)cn1)[C@H](CN1CC(O)C1)Oc1ncnc2c1cnn2-c1ncccc1Cl	50.1187
CC(COc1ccc(cc1c1ccccc1c1cccc(n1)C(=O)O)Cl)C	32
OC(=O)CCCCNC(=O)N(C1CCN(CC1)[C@@H](CCNC(=O)c1c(C)cc(nc1C)Cl)C)Cc1ccsc1	40
COc1cc2n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c(=O)ccc2cn1	33
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C#N)n1C	0.6
COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1	8.9
Cc1nc2nc(oc2cc1Cl)N1CCN2CCC1CC2	16.2
Cc1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	10
CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1	100
Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	10
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC	5.4
CC1CCCN1CCc1ccc2nc(-c3cccs3)ccc2c1	2.48
COC[C@@H](COCc1ccc(cc1)[C@]1(O)CCNC[C@@H]1c1ccc(cc1C)c1ccccc1CCNC(=O)C)C	9
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O	0.2512
CCOC(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	8
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1	4.5
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccccc1	33.3
COCc1cncc(-c2ccc3[nH]nc(C(=O)NCC4CCOCC4)c3c2)c1	5.7
COc1ccc(cc1C(=O)N(C)C)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C	32
Cc1nn(nc1C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1)-c1ccccc1	3.9811
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c1	0
CNc1nc(NCC(F)(F)F)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F	33
CN1CCC(COCc2cc(cc(n2)C2CC2)C2CC2)(CC1)c1ccc(F)cc1	17
CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCN(C)CC3)nc21	2.1
OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3	4.6774
CCOC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(C#N)cn1	19.9526
O[C@H]1C[C@H](COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)C[C@H]1O	3.1
O=C(c1ccc(cc1)C(=O)N1CCC1)N1CCN(C(=O)C1)c1ccc(cc1)OC1CCN(CC1)C1CCC1	63
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1	1.1
CNC(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1	100
Cc1nc2cc(ccc2s1)N1CCN(CCN2Cc3ccccc3C2)C1=O	3.98
O=C(N1CCN(CC1)C[C@H](c1ccc2c(c1C)COC2=O)C)Cc1ccc(nc1)n1cnnn1	30
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5cccc(F)c5)C4)C[C@@H]3C(=O)O)c2c1	10.3
CCC(CN(C1CCN(CC1)Cc1ccc(cc1)N(CC)CC)Cc1ccc(cc1)F)CC	100
CCc1[nH]c2c(c1C1CCN(CC1)CCCSc1ccc(cc1)F)ccc(c2)F	0.03
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)c1ccccc1	52.5
N#Cc1cccc(c1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.25
CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@H]1C5=O)c4c3)c2	4.4
CSc1nc(c2ccccc2Cl)c2c(n1)N(C(=O)NC2)c1c(Cl)cccc1Cl	6.8
CNCc1cc(Br)ccc1Oc1ccc(Cl)c(Cl)c1	1.6
Cc1cnc2c(c1)nnn2-c1ccc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)nc1	3.6
O=C(NC(c1ccccc1)c1ccccc1)NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1	100
Fc1cccc(c1)C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1	7.9
O=C1CN(C(=O)N1CC1CC1)Cc1ccc(cc1)c1cccc(n1)CN1CCCCC1	10
CN1Cc2ccccc2C(N=C1CCc1ccccc1)c1ccccc1	0.09
COc1ccc2c(c1)c(/C=N/NS(=O)(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(Cl)cc1	418.35
N#Cc1ccc(cc1)Cn1cncc1CN(C1CCN(C1=O)Cc1cccc(c1)Cl)CCCNC(=O)OCc1ccccc1	0.11
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F	0.12
O=C(c1ccc(nc1)OCCC(F)(F)F)NC1COc2c(C1)c(ccc2)c1cncnc1	6.3
CO/C=C(\[C@H]1CC2N(C[C@@H]1CC)CCC12C(=O)Nc2c1cccc2)/C(=O)OC	773
ONC(=O)CCCCCCC(=O)Nc1ccccc1	30
NC(=O)CNCC1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3	2.7
O=C(C1CC(C1)(F)F)NCC(c1ccccc1)CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C	10
COc1cccc2c1nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O	10
COCC(F)(F)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O	9.8
N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1	0.7943
O=C1[C@@H](CCc2c(N1CC(F)(F)F)cccc2F)n1nnc(c1)c1ccc(cc1)n1cnc(c1)C	9
Cc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1	2.778
CCCCCCCN(CC)CC#CCOCc1ccc(Cl)cc1	0.834
FC1CCN(C1)C(=O)C(C(c1ccc(cc1)c1ccc(=O)[nH]c1)C)N	8.3
CN(C1CCN(Cc2ccc(c(F)c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1	2.8
Cc1cccc(c1)C(CC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1	25
CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1cccc2ccoc12.Cl	3.71
CC(=O)N[C@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1	2.66
CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1	23.4423
O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1ccc(OCCCCN2CCN(CC3CC3)CC2)cc1	55.3
Clc1ccc(cc1)C(NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)CCCN1CCCC1	100
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1	8
CC(C)Cc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1	10
FC(F)(F)Oc1cccc(c1)-n1nnc2cc(Cl)c(NCC3CCNCC3)nc12	0.3981
CC(C)C(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1	75
Cc1nnc2ccc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)nn12.O=C(O)C(F)(F)F	20.3
O=C(C1CCC(CC1)(F)F)NCC(c1ccccc1)CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C	10
Cc1cc(=O)oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12	0.159
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl	20
Clc1cccc(c1)C1N2CC[C@@H](NCc3cncn3Cc3ccc(C#N)c(Oc4cccc1c4)c3)C2=O	0.3
Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1	2.2
Fc1ccc(c(c1)F)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OCCCN1CCCC1C	1.6
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(C#N)nc2)C3)ccc2c1COC2=O	1.2
FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)Cc2ccc(Cl)cc2Cl)C1=O)c1ccccc1	2.4
CC(=O)NC(=O)C1CCC(CC1)C1N=CC(=N1)c1cccc(Br)c1	0.5
COc1ccc(C(=O)Oc2cc(O)cc3oc(-c4ccc(OC)cc4)cc(=O)c23)cc1	4.1
COc1ccc(cc1)-n1nc(s\c1=N/c1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1)C(C)=O	17.6
CCOC(=O)C1=C(CN2CCOC(CO)C2)NC(c2nccs2)=NC1c1ccc(F)cc1Br	7.33
COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1	3.5
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)N1CCCCC1	2.8
COCc1ccc(-c2ccc3ncc(C(N)=O)c(N[C@@H](C)c4ccn(C)n4)c3c2)c(F)n1	14
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC(=O)C1CCOCC1	50
CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1cccc(F)c1	6
CN1CCC24C3Oc5c(O)ccc(CC1C2C=CC3O)c45	1000
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCCC1	7.9
CCN(CC)C(C)CCCNc1nccc(NCc2ccc(Cl)cc2Cl)n1	0.3
C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(Cl)nc1	0
Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1	9.5
CCCCCCCCCC[N+](CCCCCCCCCC)(C)C	0.005
Fc1ccc(cc1)C(=O)N1CCc2nc(COc3cccc(F)c3)oc2C1	10
Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)Cc3ccccc3Cl)CC2)n1	2
N#Cc1ccc(NC(=O)[C@H](COCCO)Oc2ncnc3c2cnn3-c2ncccc2Cl)nc1	50.1187
OC(=O)[C@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	15.8489
NC1=NC2(CO1)c1cc(ccc1OCC21CC(F)(F)C1)-c1cncnc1	10
Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2	5
OCCOc1ccc2c(c1)c(ccn2)[C@H]([C@@H]1CC2CCN1C/C/2=C\C)O	109
Fc1ccc(Cl)cc1N1CCN(CCN2Cc3ccccc3C2)C1=O	19.95
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2C1CCCc2c1cccc2	1.7
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)NC1CC1)c1cccc(F)c1	12
CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O	30
NC1=NC2(CO1)c1cc(Nc3ncccc3Cl)ccc1OCC21COC1	10
Cc1nc(C)c(-c2ccc3cc(CCN4CCCC4C)ccc3n2)cc1C#N	8.4
CCCCN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccn2	0.004
Cc1ncoc1-c1nnc(SCCCN2CCC3(CC3C2)c2ccccc2)n1C	5
O=C(NC1CCN(C1)C1CCC(CC1)(O)c1ccncc1)CNC(=O)c1cccc(c1)C(F)(F)F	30
CN(C)c1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C(F)(F)F	0
OCC[C@@]1(CCCNC1)c1ccc(Cl)c(Cl)c1	33
CCCC1NC(=NC1(c1ccc(cc1)F)c1ccc(cc1)F)c1nccc(c1)C#N	0.49
C[C@H]1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c2)CN1	7.4
CC1(c2ccc(NS(C)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O	39.8107
CCOC(CN1CCN(CCc2ccc(C#N)c(OC)c2)CC1)c1ccc2C(=O)OCc2c1C	3.5
OCCN(CCCOc1cc2ncnc(c2cc1OC)Nc1[nH]nc(c1)CC(=O)Nc1cccc(c1F)F)CC	30
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(s1)C(O)=O	12
Brc1cccc2nc(ccc12)C#Cc1ccccn1	22.7
OC(=O)\C=C\c1ccc(Cc2c(-c3ccccc3)c(=O)oc3cc(O)ccc23)cc1	100
FC(F)(F)c1ccccc1C(=O)N([C@H]1CCNC1)c1ccccc1	20
Clc1cc2cc(oc2cc1)C(=O)NCc1ccc(OC)cc1OC	16.7
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C	8.9
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccs1	4
CC(C)(C#N)CC#Cc1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1	0.003
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNCC1	4.6
COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1	10
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOCC(N)=O)c2)CC1	10
OC(=O)[C@H](Cc1ccccc1Cl)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	10
CO\N=C1/CN(CC11CNC1)c1nc2N(CC(C(O)=O)C(=O)c2cc1F)C1CC1	218.7762
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cn(C)nc2C)no1	6.3
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2cc(-c4ccccc4)no2)C3=O)ccc2c1COC2=O	0.054
OCCN(CCCOc1ccc2c(c1)ncnc2Nc1[nH]nc(c1)CC(=O)Nc1cccc(c1)F)CC	30
Cc1cccc(Nc2nc(N[C@H]3CCCC[C@H]3N)ncc2C(N)=O)c1	6.3
CO[C@H]1C[C@@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(OCCCN6CCCCC6)nc5)cc4c32)C1	14
Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1	10
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O	1584.8932
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1cccc(Cl)c1	7.3
Fc1cccc2n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c(=O)[nH]c12	3.4
O=C(NC1CN(C1)C1CCC(CC1)C(=O)O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	25
CSc1ncccc1C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O	7.8
Clc1ccc(cc1)c1cc2C(NC(=O)c3n[nH]c(c3)C)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	1
O=C(Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(c3ncc(Cl)cn3)CC2)cc1F)N1CCCCC1	3.3
O=C(C1=CC(=O)c2c(C1)cc(c(c2)F)Cl)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	10.5
N#Cc1c(ncc2c1OCCO2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	60
Fc1cccc(c1F)c1nc2c(n1)cn(nc2)Cc1ccc(nc1)c1ccc(cc1C(F)(F)F)C(F)(F)F	10
CS(=O)(=O)N[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F	23
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1	30
Cc1nc(cn1-c1ccc(F)cc1)C#Cc1ccnc(C)c1	10
CCCCCCC[N+](CC#Cc1ccc(cc1)Cl)(CC)CC	0.04
Fc1cncc(c1)c1ccc(cc1)C1COCC1NS(=O)(=O)C(C)C	63
Cc1ncoc1-c1nnc(SCCCN2CCC3(CC3C2)c2ccc(cc2)C(F)(F)F)n1C	0.7943
CNC[C@@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O	20
Fc1cnc2c3c1C(O)(Cn3c(=O)cc2)CC12CCC(CC1)(CO2)NCc1ncc2c(c1)OCCS2(=O)=O	60
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1	80
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1	13.9
CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3	3.1623
CC(C)NCc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl	0
NC(=O)c1cccc(C[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1	1.5
CC(=O)N1CCC(n2nc(C)c(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)c2C)CC1	27
C[C@@H](OC(=O)N1CCC(CC1)O[C@H]1CC[C@@H](CC1)Oc1cnc(cn1)S(C)(=O)=O)C(F)(F)F	515
NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1	2
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1	0
Cc1cccc2c1nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O	1.6
CC(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1	2
Fc1ccc(c(c1)F)c1nnc(n1C)CCCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.08
Fc1ccc(C(OC2CC3CCC(C2)N3CC2CC2)c2ccc(F)cc2)cc1	3.96
COc1cnc2c(n1)c(c(cc2)F)[C@@H]([C@@H]([C@@H]1CC[C@H](CO1)NCc1nnc2c(c1)SCCO2)O)O	100
CC1(C#Cc2c(Cl)c3c(Cl)cc(C(N)=O)nc3n2[C@H]2CCCNC2)COC1	0.003
NC1CCCN(C1)c1c(cccc1c1ccccc1)/C=C/1\SC(=O)NC1=O	30
Cc1cccc2CCCN(C(=O)CSc3ccc(cn3)C(F)(F)F)c12	30
COc1cc(OC)cc(C(=O)N[C@H]2CC[C@H](Nc3nc(C)cc(N(C)C)n3)CC2)c1	3.9811
CN1CCC(CC1)NC(=O)c1ccc(cc1)Oc1ccc(cc1)C#CC1(O)CN2CCC1CC2	100
CNCC1Cc2ccccc2C(C1)c1ccc(c(c1)Cl)Cl	1.61
OC(=O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	7.9
CCC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2	1.2589
Cl.FCCOc1ccccc1CCC1CCN(CCc2ccccc2)CC1	0.76
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(cc3)C(F)F)cc12)N1CCC(O)(CC1)C1CC1	2.5
c1ccc(cc1)OCC#Cc1scc(c1)c1n[nH]c2c1Cc1c2ccc(c1)n1cncn1	10
CN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1	8.8
C1CC(=O)Nc(c12)cc(cc2)OCCCC[NH+](CC3)CCN3c(c4Cl)cccc4Cl	1.0965
Fc1ccc(c(c1)F)[C@]([C@H](N1CCc2c(C1)sc(n2)c1cncnc1)C)(Cn1cncn1)O	40
Cl.FCCOc1cccc(CCN2CCC(CCc3ccccc3)CC2)c1	0.41
Oc1ccc(nc1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F	12.9
Clc1ccc(cc1Cl)[C@]12CNCC2CCCC1	6.48
CCC(n1c(N)nc2c1ccc(c2)Cl)CC(=O)NCC1CCCCC1	7.5
COc1ccc(cn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	0.1
Clc1ccc(c(c1)Cl)CC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)CC(F)(F)F)cccc2	2.4
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1ccc(cc1)C#N	12.6
C[S+]([O-])c1ccc(-c2cnc3ccc(Nc4cnccn4)nn23)cc1	7.84
CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O	0.5495
Cc1c(Cl)c(ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1)C#N	15.8
Cc1nnc(s1)Sc1nc2cc(Cl)c(cc2nc1C(F)(F)F)Cl	10
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3cnccn3)C(=O)c3ccccc23)cc1	9.2
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(CC=C)c2ccc(cc12)C(F)(F)F	3.7
COc1ccccc1-c1n[nH]c2nc(N[C@H]3CC[C@H](NS(=O)(=O)CCC(F)(F)F)CC3)nc(OC)c12	17.5
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnn(C)n3)nc2cc1Cl	4.4
CCS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1	10
O=C(NC(c1ccc(Cl)cc1)c1ccc(F)cn1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1	0.18
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1	0.75
N#Cc1ccc2c(c1)[nH]c(n2)C1CCC2(CC1)OC(=O)N(C2)c1ccccc1	10
Cc1ccc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)cc1	0.3981
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CCOCc12)c1ccc(nc1)C(F)(F)F	10
OC(COc1ccc(cc1)CCC(=O)O)CNC(Cc1ccc2c(c1)cccc2)(C)C	38.5
OC[C@H](NCCOCCOc1cccc(c1C)C)C	50
Cc1cc(nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc12)S(C)(=O)=O	0
CCC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C	32
COc1ccc(cc1CO)c1ccc2c(n1)nc(nc2N1CCOC[C@H]1C)N1CCN(CC1)C	32
Clc1ccc(cc1)Cc1nn(C[C@@H]2CCCN2CCCCc2ccc(cc2)OCCCN2CCCCCC2)c(=O)c2c1cccc2	0.05
Fc1cccc(c1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1	1.29
CCCN(C(=O)c1cccc(c1Cl)Cl)C1CNCC1	18.5
CCCCN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)ccnc2	0.05
C[n+]1c(cccc1C#Cc1cccc(Cl)c1)C#Cc1cccc(Cl)c1	4
Cn1cc2c(OCC3CCN(CCN4CCOCC4)CC3)nc3ccccc3c2c1	1.2
C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	0.077
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(S(N)(=O)=O)cc1	0.2239
Fc1cc2c([N+](=CC(C2=O)C(=O)[O-])C2CC2)c(OC)c1N1CC[N+][C@H](C)C1	128
CN(Cc1ccc2c(c1)CC[C@@H](C2)N(C(=O)c1ccc(cc1)c1ccncc1)C)C	10
Fc1ccc2c(c1)CC[C@@](OC(=O)COC)(CC[N@@H+](C)CCCc1[nH0]c3ccccc3[nH]1)[C@@H]2([C@H](C)C)	1.44
CCc1ccn2ccnc2c1N1CCCN([C@@H](CC(N)=O)C2CCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3O4)CC2)CC1	8.3
O=C(c1cccc(c1)C(=O)C(c1nnn[nH]1)(C)C)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	18.2
CCCCOC(=O)c1ccc(N)cc1	30.903
C[C@@H]1CN(CC2(CCC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F	65
FC(F)(F)c1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1	10
Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1	65.6
Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccc(F)cc3)N2)cc1	5.6
N#Cc1cnc(s1)Nc1ncnc(c1)N1CCNCC1	21.5
Clc1c(cccc1Cl)OC(c1cccnc1)C1CCCNC1	6.6
NC(=O)c1ccc2cc1NCC1CCCN1CCCc1n2c2CC(C)(C)CC(=O)c2c1C	2.6
O=C(N1CCC(CC1)CNc1ccncn1)OCc1ccccc1	10
NS(=O)(=O)c1cccc(c1)CN(c1cccc2c1cc[nH]2)C1CCNCC1	10
OC1(O)[C@@]23N(CC1)C(N[C@H]([C@@H]2NC(N3)=N)COC(=O)N)=N	0.5
Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1F	0.35
COc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3c2)cn1	12
CC1(C)CC[C@]23CC[C@]4(C)[C@]([C@@H]2C1)(N(C1CCCCC1)C3=O)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]41C	40
C[N+](=C1C=C/C(=C(/c2ccc(cc2)N(C)C)\c2ccccc2)/C=C1)C	1.9
OC(=O)[C@H](Cc1ccc(F)cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)cc2Cl)CC1	31.6
FC1CCN(C1)C(=O)C(C(C1CCC(CC1)N(C(=O)C)C)C)N	90
NC(CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1)Cc1ccccc1F.O=C(O)C(F)(F)F	0.87
CCCC1(CCCN1)C(=O)c1ccc2[nH]ccc2c1	10
COc1cnc2ccc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	333
COCCOc1ccc(cc1)C1CN(NS(C)(=O)=O)C(=O)N1CCc1ccc(OC)cc1	33
C[C@@H]1CCCN1CCc1ccc2ncccc2c1	40
Clc1cc(C(=O)NC[C@H]2OCC[NH+](C2)Cc2ccc(F)cc2)c(OCC)cc1N	7.76
C[C@H](c1c(CCN2CCC2)sc2ccccc12)c1ccccn1	4.2
O(C[C@H](O)CN)c1ccccc1C(=O)CCc1ccccc1	239.9
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1	20
COc1ccc2c(n1)c(C[C@@H]([C@]13CC[C@](CC1)(CO3)NCc1nc3NC(=O)COc3cc1F)O)c(cn2)F	2.4
NC(=O)[C@@H]1CC[C@H](c2cccc(OCc3ccccc3)c2)N1	25.1189
O=C(NC[C@H]1[C@@H]2CN(C(=O)OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@H]12)c1ccc2[nH]c(=O)oc2c1	5.2
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(C)c(C)c2)cc1	15.8
Clc1ccc(Cn2c(CN3CCCC3=O)nc3ccccc23)cc1	7
COCCC1C[C@H]2CN3C1C(C2)(C(=O)OC)c1[nH]c2c(c1CC3)cccc2	14.9
CCOc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1	14
N#Cc1cc(C(C)C)c2c(c1)nc(o2)c1ccc(cc1)C(=O)NCC1(C)OC(=O)N(C1)c1ccc(cn1)c1ccccc1OC(F)(F)F	30
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CC2CNCC(C1)O2	5.3
OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1	10
C[n+]1c(cccc1C#Cc1ccccc1Cl)C#Cc1ccccc1Cl	3.9
COCCN1CCN(CC1)c1ncnc(c1)Nc1ncc(s1)C#N	4
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O	274
C[C@H]1N(CCn2c1nnc2-c1cncc(C)n1)C(=O)c1ccc(cc1)-c1cccs1	4.7
CC(=O)NC1CC2CCC(C1)N2CCOc1ccc(Oc2nc3ncccc3s2)cc1	10
Cc1c(CNC2CCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl	0
CC(CN(C(=O)c1cc(Cl)ccc1Cl)C1CNCC1)C	20
Cc1nc(-n2cnnn2)ccc1[C@@H](O)CN1CCC2(CC1)CCN(c1ccc(=O)n(C)n1)C2=O	17.2
CCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1	5
OC(C1CCNCC1)(c1ccccc1)c1ccccc1	100
Clc1c(cccc1Cl)OC(c1ccccn1)C1CCNC1	10
Cc1c[nH]c2ncnc(O[C@H]3CC[C@H](N4CCO[C@@H](C)C4)CC3)c12	25.1189
Cn1c(SCCCN2CC[C@]3([C@@H](C2)C3)c2cccc(c2)C(F)(F)F)nnc1c1ocnc1C	0.2
CC(C)(C)OC(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1	30
Cc1ncc(cc1C(O)=O)N1CCC(CN2CCC(CC2)Oc2ccc(CO)c(Cl)c2)CC1	37153.5
O1[C@H]2[C@]34[C@H]([C@H]([NH+](CC3)C)Cc3c4c1c(O)cc3)C=C[C@@H]2O	1000
Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C	1.8
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCC2)c1	0
CNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1	17
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)[C@H]1CCCO1	17.7828
Cc1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@](O)(CC2)c2cncs2)c2cc(ccc2n1)C(F)(F)F	25.7
COn1cc(ccc1=O)C1=NC(C(N1)(c1ccc(cc1)F)c1ccc(nc1)F)C	10
FC(F)(F)c1cc(Cl)nc(COCC2(CCNCC2)c2ccccc2)c1	28
OC(=O)CC1CCC(CC1)c1ccc(cc1)NC(=O)c1nnc(o1)Nc1ccc(c(c1)F)F	30
CCNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](Cc1ccc(cc1)F)NC)C)C(C)C)Cc1ccc(c(c1)C(C)(C)C)O	10
Cc1ccnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc12	8.1
c1ccc(C)c(c1C)NC(=O)CN2CC[NH+](CC2)C[C@@H](O)COc3c(OC)cccc3	8.1283
Cl.NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF	2
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)[O-])c4ccccc4)C(=O)C1=O	15.1356
O=C(N1CCC(C1)NC1CCC(CC1)(O)c1ccccn1)CNC(=O)c1cccc(c1)C(F)(F)F	30
C[n+]1c(cccc1C#Cc1ccc(Cl)cc1)C#Cc1ccc(Cl)cc1	1.159
CC(C)NC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O	31.6
COc1cc(-c2cn([C@H]3C[C@H](C)c4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1	6.68
OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1	30
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CC(=O)NCc1cccc(Cl)c1	0
Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl	40
Fc1ccc(cc1)CNC(=O)c1nc(n(c(=O)c1O)C)C(NC(=O)C(=O)N(C)C)(C)C	50
CC(=O)C1CCN(CCOc2ccn(n2)-c2ccc(Cl)c(Cl)c2)CC1	4.5
CC1=NC(N=C1N)(C1CC1)c1cccc(c1)-c1cncc(Cl)c1	12.4
CN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)CCO2.Cl	11.3
O(C[C@H]([NH3+])C)c1c(cccc1C)C	10
COc1ccc(cc1)CC(NCC(COc1cccc2c1[nH]c(=O)[nH]2)O)(C)C	11.8
Cc1cc2c(nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2=O)[nH]1	300
Cl.CC(C)N(CC1CNC1)Cc1ccc(Cl)c(Cl)c1	5.5
Nc1nc(cn1CC(O)c1ccc(cc1Cl)C(F)(F)F)-c1ccc(F)cc1	25
O=C(c1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1)N[C@H](c1cc2c(o1)cccc2)C	8.05
O=CN(C(CS(=O)(=O)N1CCC(CC1)OCc1ccc(cc1Cl)Cl)CC(c1ncc(cn1)F)C)O	5
CC(C)n1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(O[C@@H](C)CO)c2)n1	31
N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CCCC[C@@H]3N)cc2)cc1	5.4
S1c2c(N(c3c1cccc3)C[C@@H](CN(C)C)C)cc(cc2)C#N	0.47
CCOC(=O)c1ncn2c1C3CCNC3C(=O)c4cc(OC)ccc24	1.2882
CNCc1ccc(cc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F	1.19
COc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12	10
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(CC)CC[C@@](C)(O)CC1	11
O=C(O)c1ccc2cccnc2c1N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1	31.6228
Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1	3.5
O=C1N(C[C@@H]2CCCc3c2c1ccc3)[C@H]1C2CCN(C1)CC2	204.0001
OC(=O)C(N1CCCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1	25.1
NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1	2.2909
O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1	2
Fc1ccc(-n2cc(c3c2cccc3)C2CC[NH+](CC2)CCN2CCNC2=O)cc1	23.5
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(N)=O)c(F)c2)ncc1F	20
Fc1ccc2c(c1)c(C)c(s2)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2c1cccc2	20
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)cc(F)c1	46
O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)c(F)c4)CC3)ccc21	27
CCOc1cc2nccc(Oc3cnc(CC(=O)Nc4[nH]nc(CC)c4C)c(OC)c3)c2cc1OC	76
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C	24
CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(nc1)C(F)(F)F	4.7
COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1	16
O=P(NCc1ccccc1-c1cccnc1)(c1ccccc1)c1ccccc1	33
c1ccc(cc1)OCC#Cc1scc(c1)c1n[nH]c2c1Cc1c2ccc(c1)n1cncc1	1.43
Cc1cc2[nH]c(nc2cc1Cl)C1CCN(CCn2c3cc(F)cnc3ccc2=O)CC1	1.2
Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1	0.79
CC(C)(CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1)N1CCOCC1	28
N#Cc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	5
CC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc12	32.5
Cc1noc(n1)-c1ccc2n(CCCSc3cc(F)cc(F)c3)c3CCCCc3c2c1	10
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc(nc1C)N1CCCC1	10.4
O=C(c1cc(F)cc(F)c1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1.O=CO	39.8107
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC1CCCCCC1	14.7
C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1	100
O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)c1ccccc1	15.8
Cn1cc(cn1)-c1ccc2c(c1)[nH]c1c(cnc(NC(C3CC3)C3CC3)c21)C(N)=O	1.7
CCc1cc(ccc1NC(=O)c1ccccc1F)-c1nnc(NCCCN2CCCCC2)o1	25.1
OCC(COc1nc(C#N)c(c2c1ccc(c2)OC)c1ccccc1)O	20.5
O=C(Nc1ccc(F)cn1)[C@H](COCCO)Oc1ncnc2c1cnn2-c1c(Cl)cccc1Cl	19.9526
CN1C(CC(O)c2ccccc2)CCCC1CC(O)c3ccccc3	0.7244
CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1	5.8884
FC(F)(F)Oc1ccc(CNC(=O)C2N(Cc3ccc(cn3)C(F)(F)F)C(=O)c3ccccc23)cc1	3.3
O=C1CN(CCN1c1ccc(cc1)OCCCN1CCCCC1)C(=O)c1cnn2c1nccc2	63
OCc1ccc(OC2CCN(CC3CCN(CC3)c3cccc(n3)C(O)=O)CC2)cc1Cl	66069.3
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1cccc2c1cccn2	1.26
CN(C[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(=O)c2ccccc12	1.9953
Nc1nc(N2CCC(N3Cc4ccccc4OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n[nH]1	23
COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)O	10.4713
C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccncc1	0.09
n1ccc(cc1)c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)CC1CCCO1	3.2
CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@@H]([C@@H]2O)N(C)C)[C@@](C[C@@H](C(=O)[C@H]([C@@H]2[C@@]1(C)OC(=O)N2C1CN(C1)Cc1ccnc2c1cccn2)C)C)(C)OC	80
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3cccnc3)c2c1	16
COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(OC)n1	10
COc1ccc(cc1)COC(=O)N1CCC(CC1)CNc1ncccn1	10
CC(C)Cc1cc(CNS(=O)(=O)c2ccc(CCc3ccccc3)cc2)nn1-c1ccccc1	8.73
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1C)C(=O)[C@@]1(C)CC[C@@H](CC1)NC(=O)OC	3
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(cc2)C(F)(F)F)c1C	10
C[C@H](c1c(CCN(C)C)sc2ccccc12)n1cccn1	2
CNC(C)c1cc(F)ccc1Oc1ccc(Cl)cc1	5.2
CCc1oc(CCc2cc(cc(NC(C)C)n2)N2CCOCC2)nc1C	0.5
COc1ccc(c(c1)F)CN1CCC(CC1)NC(=O)C1=CC(=O)c2c(C1)cc(cc2)F	14.7
c1cncc(C(Cc2ccccc2-c2cncc3ccccc23)c2cccnc2)c1	12
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(C)=O	7.9
O=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3)CC1)O2)NO	3.81
O=C(c1c[nH]nc1)NCC1CCC(CC1)CCOc1ccccc1	30
O=C(N[C@H]1CCCC[C@@H]1CN1CCC[C@H](C1)Cc1ccc(cc1)F)Nc1cccc(c1)C(=O)C	0.4
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1ccnc(c1)C(F)(F)F	90
CCOc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(C#N)ccc3nc2OC)c2cccc3c2OCCO3)cc(OCC)n1	4.5
FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(I)c2)CC1	0.1995
Cc1cc(-c2cc(OC(F)(F)F)ccc2Cl)cc(C)c1OCCCC(=O)O	54.57
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc(Cl)c3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O	60
O=S(=O)(c1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)C12CNCC2C1	0.8
CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3ncccc3C#N)c(=O)c12	16.9
CN1CCCC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1	1.6
CC(C(O)c1ccc2NC(=O)COc2c1)N1CCC(O)(CC1)c1ccc(F)cc1	1.6
Fc1cccc(c1)C(C1CCN(CC1)S(=O)(=O)C)CCN1CC2C(C1)CN(C2)C(=O)c1c(C)ncnc1C	15.4
O1CCC[C@H]1C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1	17.1
CC(=O)NCCN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	3.3
CNc1nc(c2ccccc2Cl)c2c(n1)N(C(=O)NC2)c1c(Cl)cccc1Cl	6.4
CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(C(=O)N2Cc3cn(-c4cncc(F)c4)nc3C2)c1	6.7
Cc1cnc(F)c(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1	10
c1ccc(-c2cc(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncn2)cc1	4
Cc1cc(N[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)cc(C)c1F	1.2
CN(C)C(=O)[C@@H](c1ccc(-c2ccn3ncnc3c2)cc1)[C@H](N)C(=O)N1CCC(F)(F)C1.O=C(O)C(F)(F)F	16
N#Cc1c2n(C)c(=O)n(c(=O)c2n(c1N1CCCC(C1)N)CC=C(C)C)Cc1cnc2c(n1)cccc2	5
CS(=O)(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1	33.3
C[C@H]1CCC[C@@H](C)N1CCNc1cn(Cc2ccc(F)cc2)nn1	0.6
O=C(C1CC(Oc2ccc(Cl)cc2)CN1)N1CCCN(C2CCC2)CC1	2
O=C(c1cc(F)cc(Cl)c1)N1CCc2oc(-c3ccc(F)cn3)nc2C1	19
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccc(F)c(F)c2)C(=O)c2ccccc12	32
CO[C@H]1CN(CC[C@@H]1NCc1ccc2c(n1)NC(=O)CO2)CCn1c(=O)ccc2c1cc(C#N)cc2	124
CCN(C1CCN(CCC(N2CCN(CC2)c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	13
COC(C)(C)CC#Cc1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1	0.004
CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3c(cnc4ccccc34)C#N)c(=O)c12	4.4
CCOC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1cnc(C)cn1	50.1187
COc1cc(-c2cn(C3CCc4c(ccc5ccccc45)N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1	0.9
COc1ccc2ncc(F)c(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@@H](O)C3)c2n1	4.9
Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(F)cn1	8
CN1CCC(COCc2cc(cc(n2)C2CCCC2)C(F)(F)F)(CC1)c1ccc(F)cc1	12
Cc1coc(n1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F	2.3
COc1cc(-c2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2C)ccc1-n1cnc(C)c1	0.794
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(ccc4[nH]3)C#N)c2c1	4.5
CN(CC1(O)CCCCC1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	2.16
COC1=CC2=C3CCNC(=C3N=C2C=C1)C	16.2181
FC(F)Oc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1	6.3
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(F)cc2)n1C	1.4333
Fc1ccc2c(c1)c(=O)cc(o2)C(=O)NC1CCN(CC1)C1CCc2c1c1OCOc1cc2	5.86
CC(C)(C)CCN1CCC(CNC(=O)c2ccc(Cl)c(Cl)c2)CC1	1
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1Cl	1.5
COc1ccc(cc1)c1ccc(nn1)CCCNc1ccc(cc1)CN1CCCCC1	10
Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1Cl	3.6
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)C1CCC(CC1)c1c[nH]c2ccccc12	2.4
Clc1cccc(c1)N1CCN(C1=O)CCN1CC2CC1CC2	12.6
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C)c(n1)-c1cn(C)c2ccccc12	15.6
COc1cc(C(O)(CCn2ccnc2)C(c2cc3cc(Br)ccc3nc2OC)c2ccnc(OC)c2OC)cc(OC)n1	5.8
CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCOCC1	1.4
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN)cccc2	0.22
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(Br)cc2C1	48.9
COC(=O)N1CC[C@@H](C1)N(c1ccc(c(c1)Cl)C#N)Cc1cccc(c1F)F	4
Oc1cccc2c1[nH]c(n2)Cc1ccc(cc1)Oc1ccccc1	0.86
COc1ccc(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNCC1	4.8
O=C1OCc2c(N1)ccc(c2)[C@@H]([C@H](N1CC[C@](CC1)(O)c1ccc(cc1)F)C)O	2.4
CCOC(=O)c1nn(-c2ccccc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1	10.4
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cc(F)cc(F)c2)c(C)n1	4.8
OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1	10.3
CN1C2CCCC1CC(C2)NC(=O)c1cccc2c1nc(o2)N1CCOCC1	1.4
OC1CCC(CC1)NC(=O)C(n1c(nc2c1cc(F)c(c2)F)c1ccc(cc1)Cl)C1CCCCC1	7.3
COc1cc(C(O)(CCN(C)C)C(c2cc3cc(Br)ccc3nc2OC)c2ccnc(OC)c2OC)c(OC)nc1OC	2.7
C(C1COc2ccccc2C1)N1CCC2(CCc3ccccc23)CC1	1.5
CC(C)CNc1nc(nc(N2CCNCC2)c1N)C#N	52
N#Cc1c2n(C)c(=O)n(c(=O)c2n(c1N1CCCC(C1)N)Cc1ccccc1)Cc1nccc2c1cccc2	2.8
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O	0
C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccccn1	10
COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12	9.1
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(o1)N(C)C	5.5
COc1ccc(cc1)[C@]1(O)CCC(CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	8.9
Fc1ccc(-c2noc(n2)C2CCN(CC2)c2cnc3ccc(Cl)cc3c2)c(Cl)c1	0.5
OC1(CNCC(=O)N2CCc3ccccc3[C@H]2C2CCCCC2)CCCCC1	76
CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1	5.3703
Cc1nc(c(s1)c1nnc(n1C)SCCCN1C[C@@H]2[C@](C1)(C2)c1ccc(cc1)C(F)(F)F)C	0.35
CC(c1ccc(cc1)OS(=O)(=O)C(F)(F)F)C(=O)NCCCN1CCCC1	10
Cc1ccnn1-c1cccc([C@H](CC(=O)O)CN2CC[C@@H](CCc3ccc4c(n3)NCCC4)C2)c1	25.1189
Nc1nc2cc3CCN(Cc4ccncc4)CCc3cc2s1	33
S(Cc1[nH]cnc1C)CCN\C(=[NH+]\C#N)\NC	10000
Fc1cnc2c3c1C(O)(Cn3c(=O)cc2)CC12CCC(CC1)(CO2)NCc1ccc2c(n1)NCCO2	60
COc1ccc(-c2cc(=O)c3cc(Cl)ccc3o2)cc1	13
CC(C)c1ccc(COC2CCN(CC2)c2ncnc(Nc3cccc(NC(C)=O)c3C)n2)cc1	0.4
CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	8
O=C1CCC[C@@H]2N1C[C@H]1CCCN3[C@H]1[C@H]2CCC3	411
N#Cc1c(N2CCCC(C2)N)n(c2c1n(C)c(=O)n(c2=O)CC(=O)c1cccc(c1)OC)Cc1ccccc1	0.1
CC1C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1	1.3
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1	30
CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C	0.98
O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CC(=O)N2)ccc4C#N)cc13	10
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(C1CC1)c1ccc(Cl)cc1	2.6
COc1cc2ccc(C#N)cc2cc1[C@@H](c1cccc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2c1CCC2	1
N#Cc1cc(NCC(=O)NC2CN(C2)C2CCC(CC2)(O)c2cncs2)c2c(n1)ccc(c2)C(F)(F)F	35.1
COc1cc2CCN(C)[C@H](Cc3ccc(Oc4cc(C[C@H]5N(C)CCc6cc(OC)c(OC)cc56)ccc4O)cc3)c2cc1OC	2.57
C[C@@H]1CCCN1CCc1ccc2nc(C)ccc2c1	216
Cc1ccc(Cn2c(nc3ccccc23)C2CNCCO2)cc1C	2.1
Fc1ccc(F)c(c1)C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1	10
CC1CN(CC(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl	37
COc1ccc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1	33
CCCCCCCCc1cccc(CCCCCCCC)[n+]1C	0
N#Cc1cnc(s1)Nc1ccncn1	2.9
Brc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1	7.1
CC(CN(C(=O)c1ccccc1C(C)C)C1CCNC1)C	12.9
Fc1ccc(cc1)Oc1ccc2c(n1)c(=O)n(c(n2)C)CC1CCCN(C1)C(C)C	3.2
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(F)(F)F	1
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2cccc(O)c12	28
Cc1nc(C)c(s1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C	0.79
COc1cc2ccc(C#N)cc2cc1[C@@H](c1cccc(C)c1)[C@@](O)(CCN(C)C)c1cccc2c1OCO2	0.3
Fc1cccc(c1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.25
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)Cc1ccccc1	30
CNC(C)c1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1	6.8
[NH2+](CCCC12CCC(c3c1cccc3)c1c2cccc1)C	3.1
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2cccc(c2)C(F)(F)F)n1C	0.5
CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1	32
o1c(ccc1C)-c1nc(NC(=O)CN2CCC(CC2)CN(C)C)cc(n1)-n1nccc1C	1.65
CC(C)N1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1	1.3
C[C@H]1CN(CCOc2cc(C)n(n2)-c2ccc3ccccc3c2)C[C@@H](C)O1	7.4
O=C1N(CC[C@@H]1[NH2+]Cc1n(cnc1)Cc1ccc(cc1)C#N)c1c2c(nccc2)ccc1	8.2
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NS(C)(=O)=O)n2)c(OC)c1	25
CN1CCN(C)c2nc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)ccc12	30.6
O=C(c1ccc(nc1)N1CCC2(CC1)CCN(C2)C(=O)C)Nc1cc(ccc1N)c1cccs1	10
COCCOc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1	10
Cc1cc2ncc(C(=O)N3CCC(CC3)[C@H](N)Cc3cc(F)c(F)cc3F)c(C)n2n1	18
NC(=O)c1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)ccn1	1.6
C1CCN(CC1)[C@@H]([C@H](N1CCCCC1)c1ccccc1)c1ccccc1	25.1
Oc1cccc(c1)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O	15.8
NC(=O)CC(=O)N1CCc2c(C1)sc(n2)c1ccc(cc1)OC1CC(C1)N1CCCCC1	30
N#Cc1cnc(s1)Nc1ccnc(n1)N	10
CCN(CC)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1	60
O=C(C1CC(Oc2cccc(F)c2)CN1)N1CCCN(C2CCC2)CC1	10
OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOC[C@H]1C)N1C[C@H](C)O[C@H](C1)C	4
CN(CCCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)C	100
Clc1ccc(cc1)C1(O)CCN(CC1)CCC[C@@H](O)c1ccc(F)cc1	2.6
COc1ccc(-n2cc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nn2)cc1	6.3096
Brc1ccc2[nH]c3C(CCCc3c2c1)Nc1ccccc1	30
Cc1cc(-n2cc3c(n2)CN(C(=O)c2cc(C#N)ccc2OC(C)C)C3)ccn1	10
N#C[C@@H]1CCCN1C(=O)[C@@H]1CN(C[C@@H]1N)Cc1ccc(c(c1)C)C#N	20
FC(F)(F)CCOc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3cncnc3)c2C1	6.3
NC1=NC2(c3cc(ccc3OCC22CC2)-c2cncnc2)C(F)(F)CO1	10
CN(CCN1CCN(C2COOC2)C1=O)C[C@@]12CC[C@@H](CC1)C2(C)C	6.3
Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1	19
Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(C)c1-c1cnn(C)c1	1
CCn1n2c(nnc2cc(-c2cc(cc(F)c2C)C(=O)NC2CC2)c1=O)-c1c(F)cccc1Cl	30
CN1CCCCC(C1)c1ccc(Cl)c(Cl)c1	10
COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1	0.49
C[C@@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1	0.1
CCN1CCc2cc(ccc2C1=O)C1=CC2(CCNCC2)Oc2ccccc12	13.5
COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1	4.6
CC[C@H]1C[C@H]2CN3[C@@H]1C(C2)(C(=O)OC)c1[nH]c2c(c1CC3)cc(cc2)OC	2.25
N#Cc1ccc(cc1)OCC(CN1CC2CC(C1)CN(C2)C(=O)OCC(C)C)O	0.04
S(=O)(=O)(Nc1cc2c(OC3(C[C@H]2O)CC[NH+](CC3)[C@@H]2CCc3cc(ccc3C2)C#N)cc1)C	0.021
CCOC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(c1)C(F)(F)F	6.5
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC	300
O=C(C1NCCN(C1)C(C)C)C1CCN(CC1)C(=O)Nc1ccc(c(c1)Cl)Cl	60
NC1=N[C@@]2(c3cc(CNCC(F)(F)F)c(F)cc3F)CO[C@@H](CF)C[C@H]2CS1	4.3
O=c1c2cc(Cc3cccnc3)c3ccccc3c2ncn1[C@H]1CCCC[C@@H]1O	12
CCCN(c1cccc(c1)C#N)P(=O)(c1ccccc1)c1ccccc1	33
NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccc(F)cc3)cc2)N1	7.9433
O=C1NC(=O)\C(S1)=C/c1ccccc1OCc1nnc(o1)-c1ccccc1	41
CCCCNc1ncc2c(n1)n(nc2c1ccc(cc1)S(=O)(=O)NC)C1CCC(CC1)O	10
CN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCCC2.Cl	32.1
O=C(NC1CN(C1)C1CCC(CC1)c1ccc2c(c1)[nH]cn2)CNC(=O)c1cccc(c1)C(F)(F)F	2.5
CN(Cc1ccc(C(F)(F)F)nc1)c1cc(C(=O)Nc2ccccc2)ncn1	5.6
CCn1cc(cc(c1=O)C)C1(N=C(c2c1cccc2F)N)c1cccc(c1)C#CC1CC1	8.5
CC(C)n1nc(C(=O)NCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21.Cl	2.63
C[C@@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2=O)cc1.O=CO	19.9526
CO[C@H](C)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12	23.7
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1	46
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)C(=O)OC1(COC1)C(F)(F)F	30
C[C@H](Nc1cncc(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1	32
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C1=O	80
CN(Cc1cnccn1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1	7.1
C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1.O=C(O)C(F)(F)F	1.1
CC(C)(N)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1	2.6
COc1cc2nnc(c(c2cc1N1CCN(CC1)C)Nc1ccc(cc1F)C)C(=O)N	30
ONC(=O)\C=C\c1ccc2CN(Cc3ccccc3)Cc2c1	27.5
Oc1c(Br)cc2c(c1Br)Oc1c(C32OC(=O)c2c3c(Cl)c(Cl)c(c2Cl)Cl)cc(c(c1Br)O)Br	100
CNCc1cc(OC)c(OC)cc1Oc1ccc(Cl)c(Cl)c1	10.1
Clc1ccc(cc1)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C	0.11
COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1	30
CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOC1	25
O=c1cc(o[nH]1)[C@H]1CCN[C@@H](Cc2ccccc2)C1	1000000
COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCOCC2)c(c1)-c1ccnn1C	11
Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4Cl)c23)no1	0.9
COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c(F)c1	0
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(N)=O	33
CC(CN1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1)c1ccc(cc1)[N+]([O-])=O	0
CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=NC1c1ccc(F)cc1Cl	2.31
COc1ccc2c(n1)c(ccn2)NC(=O)C1CCC(CC1)NCc1ncc2c(c1)OCCO2	29
CN1Cc2ccccc2C(N=C1OCc1ccc(cc1)NS(=O)(=O)C)c1ccccc1	0.21
CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1	15.4882
Cn1c(SCCCN2C[C@@H]3[C@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1occc1C	0.2
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2ccccc2)c(C)n1	10
CC(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21	10
CC(C)c1cc(C(=O)NC[C@H]2CCN(CCc3ccc(OC(F)(F)F)c(F)c3)C2)on1	0.16
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)c(F)c1	15
CC(Cc1ccc(cc1)[N+]([O-])=O)N1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1	0
CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc4ccccc14	0.9333
CCC1NC(=NC1(c1ccc(cc1)F)c1ccc(cc1)F)c1nccc(c1)C#N	0.49
COC1COCCC1N[C@@H]1C[C@H]2C[C@H](F)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
CNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cn2)cc1Nc1ccccc1S(C)(=O)=O	40
CNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1	4.79
O=C(c1cn(CCCNCc2ccc(Oc3ccc(Cl)cc3)cc2)nn1)N1CCOCC1	0.678
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1cncc(F)c1	63
COc1cc(O)c(cc1OC)C(=O)Nc1scc(n1)C(=O)N(C(=O)c1ncsc1)CCN(C(C)C)C(C)C	50
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnccn1	24.8
COc1ccc2nccc(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1	1.9
C=CC(=O)N[C@H]1CCN(c2ccc(C(N)=O)c(Nc3ccc(N4CCCCC4)nc3)n2)C1	0.26
ONC(=O)/C=C/c1ccc(cc1)CNCCc1c([nH]c2c1cccn2)C(C)(C)C	30
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OC(F)(F)F)cc1	7.9
COc1ccc(cc1C(=O)N)c1ccc2c(n1)nc(nc2N1CCOC[C@H]1C)N1CCOC[C@H]1C	32
Cc1nc2ccc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3c2s1	12.5892
COc1cccc(c1)S(=O)(=O)N1CCC2=C[C@H]3[C@@H](C[C@]2(C1)C(=O)c1ccccn1)C=NN3c1ccc(cc1)F	19
COc1cccc(-c2cccc(C3(C)COCC(N)=N3)c2)c1	8
NC1Cn2c(CC1c1cc(F)c(cc1F)F)nc1c2ccc(c1)S(=O)(=O)C	38
CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3	2.3988
CCOC(=O)C1=C(CN2CCS(=O)(=O)CC2)NC(c2nccs2)=NC1c1ccc(F)cc1Br	1.07
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1	18.8
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCC(=O)O)cccc2	74
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4cncc(F)c4)cc23)CC[C@]1(C)N	5
NCCCN(C1CCN(C1=O)Cc1cccc(c1)Cl)Cc1cncn1Cc1ccc(cc1)C#N	0.48
CC1(C)[C@@H]2CC[C@]11CCN(CCN3CCN(C3=O)c3cccc(Cl)c3)C1C2	0.7943
O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)C1CCCCCC1	19.9526
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCC2)cc1	5.5
CS(=O)(=O)c1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F	38
CC1(C)NC(=O)Cn2c(Nc3ccc(F)c(Cl)c3)c(nc12)-c1ccc(F)cc1	30
Cc1ncoc1-c1nnc(SCCCN2CCC3(C2)CCCc2cc(Br)ccc32)n1C	0.6
C(N1CCCCC1)c1ccc(Oc2nc3ncccc3s2)cc1	10
COc1cc(ccc1Nc1ncc(c(n1)c1cnc2n1cccc2)Cl)N1CCN(CC1)C(=O)C(O)C	8.1
Clc1cccc(c1)N1CCN(CCN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)C1=O	0.0631
FC(F)(F)c1ccc(cc1)/C(=N/OCC[NH3+])/CCCCOC	3.8
Cc1nc2cccnc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	10
COc1cccc(c1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.25
Cc1ccc(CCOCC#Cc2cccc(C#CCOCCc3ccc(C)cc3)[n+]2C)cc1	14.4
COCCCN1C[C@H]2[C@H](CNC(=O)c3nc(C(C)C)n4ccccc34)[C@H]2C1	5.1
O[C@@H]1CCCC[C@H]1CNC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	7.3
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1cccnc1	1.3
Fc1ccc(c(c1)/C=C/NC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O)F	0.008
Clc1ccc(cc1)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1cccc2c1ccc(n2)C	0.2
Cc1nc(C)c(s1)-c1nnc(SCCCN2CCC3(CCc4cc(Cl)ccc34)C2)n1C	2.5
OCc1cc(=O)n(cc1c1ccc(cc1)C(C(C(=O)N1CCC(C1)F)N)C)C	100
O=C1COc2c(N1)nc(cc2)CNC1CCC(CC1)[C@H](Cn1c(=O)cnc2c1cc(F)cc2)N	174
Cl.Fc1cc(C(Oc2ccccc2)C2CNC2)ccc1Cl	1.56
O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)-n4cnnn4)CC3)nc2N1	100
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCN2CCCC2)c(-c2cncnc2)c1	0.009
ONC(=O)c1cnc(nc1)N1C[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]2C1	4.1
COc1ccc(N2C(=O)C(C)(C)C2c2ccccc2OC)cc1	13
NC(=O)c1cc(sc1Nc1cccc(CN2CCOCC2)n1)-c1ccccc1F	0.161
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCc3nc4ccccc4o3)cc2)CC1	0.6
NC1=NC2(CO1)c1cc(ccc1OCC21CCCO1)-c1cncnc1	10
ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c[nH]c3ccccc23)cc1	29.3
N=C(NCCCOc1ccc(F)cc1)Nc1ccc(Cl)cc1	0.43
CC(C)(O)COc1ccc(C(N)=O)c(O[C@@H]2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C[C@H]2F)c1	29
Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O	3.7
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCCC1)c1ccc(Cl)cc1	33.3
CCCN1C(=O)CC2(CCN(CC3CCN(C(=O)OCC)CC3)CC2)c2cccnc21	0.67
Cc1[nH]c2ccccc2c1C1CCN(Cc2ccc(\C=C\C(=O)NO)cc2)C1	13.4
O=C(c1ccc(nc1)N1CCC2(CC1)CN(C2)C(=O)C)Nc1cc(ccc1N)c1cccs1	10
COc1ccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c2c1	10
O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3cc(F)c2=O	60
Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cc1F)C(C)C	5.5
O=C(C1CC(Oc2ccc(F)cc2)CN1)N1CCCN(C2CCC2)CC1	10
C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(nc2n1)-c1ccc2nc[nH]c(=O)c2c1	32
O=C1CN(c2cn[nH]c(=O)c2Cl)CCN1Cc1ccccc1C(F)(F)F	8.7
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1	50
COc1ccc(CN[C@@H]2CC[C@@H](C(=O)N3CCC(CC3)(C(=O)N3CCCC3)c3ccccc3)C(C)(C)C2)cc1	0.9
COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1	11
CN1C[C@H]2[C@H](CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@H]2C1	3.8
O=C1NCc2c(N1c1c(Cl)cccc1Cl)nc(nc2c1ccccc1Cl)N1CCc2c(C1)cn[nH]2	10
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccn1	30
COCCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCOCC1	9
CC(C)COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O	0.7
NC(=O)c1cnc2cc(Cl)c(-c3cccnc3)cc2c1NC1CCOCC1	1.2
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12	16.2
Fc1cc(F)cc(c1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OC1CCN(CC1)C(C)C	63
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2ncco2)cc1	0.1514
CC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)CCO1	6.15
N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O	30
CN(CCCC1(c2ccccc2)C(=NN2C1COc1c2cc(cc1)C)C(=O)C)C	2.4
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N([C@H](C)c2ccccc2)[C@H](C)c2ccccc2)nn1	0.8
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F	4.8
COc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1noc2ccc(cc12)C(F)(F)F	0
CCC(CC)CNc1c(C(N)=O)c(C)nc2ccc(-c3cccnc3)cc12	0.68
OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)-c2cc(Cl)cc(Cl)c2)cc1	5.1
OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1	10
COc1cnc2c(c1)n(C[C@@H](C1CCC(CC1)NCc1ccc3c(n1)NC(=O)CO3)N)c(=O)cc2	333
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(C)cc1	25.9
CCOc1cc2nnc(c(c2cc1N1CCN(CC1)C)Nc1cccc(c1F)Cl)C(=O)N	12
C1CCC(CN1)N(c1cccc2c1cc[nH]2)Cc1ccccc1	10
C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	1.1096
NC(=O)Nc1cc(sc1C(=O)NC1CCCNC1)c1cccc(c1)F	15
Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)cc1C	10
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncccc2C1	50
Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O	30
Cc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12	10
S1c2ccccc2N(CC[C@H]([N@@H+](C)CCCC2)2)c2cc(SC)ccc12	0.096
Cc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cc(C)oc3c2)cn1	22
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O	0
COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1ccnc(c1)C(F)(F)F	90
Cc1cc(Nc2ccccc2)nc(NCc2ccccn2)n1	15.8
COc1c(ccc(c1F)n1cnc(c1)C)c1nnn(c1)[C@@H]1CCc2c(N(C1=O)CC(F)(F)F)cccc2F	7.5
N#Cc1ccc(S(=O)(=O)N2C[C@H](S(=O)(=O)c3ccc(Cl)cn3)[C@](O)(CN)C2)c(Cl)c1	8
CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1	10
O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1	0.7
OC1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3cc(Cl)c2=O	60
CCN1CCN(CC1)Cc1cnc(c(c1)C)c1ccc(cc1)C(=O)Nc1ccccc1N	25
O=C1[C@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(F)cc1	0.62
O=C(c1nn(nc1C)c1ccccc1)NC1COc2c(C1)c(ccc2)c1ccncc1	4
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl	2
Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O)C(O)=O	10
Cc1ccc2c(n1)cccc2N1CCN(CC1)CCc1cccc2c1OCc1n2ccc1C(=O)N1CCOCC1	1
CCOC(=O)N1CCC(C)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1	3.5
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1	10
N#Cc1ccc(cc1)N1N=C(C[C@@H]1c1ccc(cc1)c1ccc2c(c1)oc(=O)[nH]2)F	0.029
CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12	1.8
Fc1ccc(CNC(=O)N(C2CCN(Cc3ccnnc3)CC2)c2ccc(Cl)cc2)cc1	12
CN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1coc2ccccc12.Cl	34.8
CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)N(C)c2ncccc23)CC1	2.54
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12	6.7
O=c1n(-c2ccc(OCCCN3CCCC3)cc2)c(nc2ccccc12)-c1ccccc1	1.1
Cc1cccc(Nc2nc(NCC3CCCCN3)ncc2C(N)=O)c1	2.5
O=C(NC1CN(C1)C1CC[C@](CC1)(O)c1ccccc1)CNC(=O)c1cccc(c1)C(F)(F)F	10
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCS(C)(=O)=O)c2cc(F)ccc12	10
CCN(C1CCN(CC[C@H](N2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	0
CN(C)Cc1ccc(OC2CN(C2)C(=O)c2nnc(o2)-c2ccccc2)c(C)c1	8.6
Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23	19.65
Cc1ccc(cc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1	25
COc1ncc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3c2)cc1C(F)(F)F	1.6
CCCn1c(C)c(cc1-c1ccccn1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl	1
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCNC(=O)CC)cccc2	8.4
CCOc1cc(Nc2nc3n(cnc3cc2F)[C@@H](CO)c2ccc(F)cn2)[nH]n1	32
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2cc(F)ccc2F)cc1)C(O)=O	76
Cc1ccc(NC(=O)[C@H](COC2CCC2)Oc2ncnc3c2cnn3-c2ncccc2Cl)nc1	39.8107
CN(C[C@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1	30
OCc1ccc(OC2CCN(CC3CCNCC3)CC2)cc1Cl	2951.2
CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ncccc3N)c2O1	18.3
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1	17
CCN1CCN(CC1)c1nc(C)nc2sc(cc12)-c1ccccc1	10
Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(c1)C(F)(F)F	5
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(N)=O	0.65
CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2	0.3548
Cl.O=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1	2.6
CCCC[C@@H](CCO)Nc1nc(N)nc2cc(F)ccc12	4.9
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C4CC(c5cccc(F)c5F)C4)C[C@@H]3C(=O)O)c2c1	25
O=C1[C@H](CCN1c1cccc2ncccc12)NCc1cncn1Cc1ccc(cc1)C#N	8.2
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)n1ncc(c1)c1ccccn1	40
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C4CC(c5ncccc5F)C4)C[C@@H]3C(=O)O)c2c1	10.7
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C	23.4
COCC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C	8.4
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1	1.6
CCCCCN=C(N)NN\C=C\1/C=Nc2ccc(OC)cc12	6.6069
COc1ccc(cc1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1	0.5
COc1ccc2c(c1)nc(C)n(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)c2=O	10
CCC[C@@H](CCO)Nc1nc(N)nc2cccc(F)c12	8.9
Cc1nc(C)c(s1)-c1nnc(SCCCN2CCC3CC3(CC2)c2ccc(cc2)C(F)(F)F)n1C	0.6
Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC[C@@]3(CC23)c2ccc(cc2)C(F)(F)F)n1C	0.45
CCOC1CN(CC1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)C1CCC(CC1)(O)c1ccc2c(c1)OCO2	13
CC(C)(C)CCN1CCC(CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1	1.799
CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F	4.7
C[C@@H]1C[C@H](N)CN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1	1
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(C)=O)c1	3
O=C(c1ccccc1C(F)(F)F)N(C1CNCC1)CC1CCCC1	13.5
CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13	27.5423
FC(F)(F)Oc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1	0.058
Fc1ccc(cc1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.79
O=C(O)C[C@H](CN1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1)c1cccc(O[C@@H]2CCOC2)c1	39.8107
COc1ncc(cn1)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1	22.4
Nc1cccc(C(Cc2cccnc2-c2cc(Cl)cc(Cl)c2)c2cccnc2)n1	10.2
CCc1nn(C2CCN(C(C)=O)CC2)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1	5.2
CCOc1ccccc1CC(c1ccccc1)N1CCNCC1	6.95
Clc1ccc(cc1)c1cc2C(NC(=O)c3cccc4c3[nH]nc4)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	30
CCN(CC)C(=O)c1cc(cs1)C1=CC2(CCNCC2)Oc2ccccc12	3.46
CS(=O)(=O)C1(CCNCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1	33
Fc1ccc(cc1Cl)C1CNCC=CC1	23
CN1CCC(COCc2cncc(Br)c2)(CC1)c1ccccc1	13
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)C	30
OC(CN(Cc1ccccc1F)CCc1ccc(c(c1)Cl)Cl)COc1ccc(cc1)NS(=O)(=O)C	1.2
Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1	10
Cc1ccc(-c2cc3ncncc3c(NC[C@H]3CCCNC3)n2)cc1	10
Cc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)s1	44.7
O[C@@]1(CC23CCC(CC2)(CO3)NCCCc2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O	0
CN1C[C@@H]2CCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1	5.6
CCS(=O)(=O)Nc1cccc(c1)C(=C2CCCCC2)c3cnc[nH]3	10
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1C[C@H](C)N[C@H](C)C1	20
CCN[C@H]1CCC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1.Cl	16.3
ONC(=O)/C=C/c1ccc(cc1)CNCCc1c[nH]c2c1cncc2	50
Cc1cccc(c1)N1CCN(CC1)CCCCCCN1CCN(CC1)c1ccnc2c1cccc2	0.9
CCOc1cc(CN2CCC(COc3cccc4cccnc34)CC2)cc(OCC)c1-c1ccc(F)cc1	0.21
CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2cc(OC(F)F)ccc12	6.3
Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cnccn1	0.13
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)cc1	0.1
COc1cc(-c2cn(C3CCc4c(ccc(Br)c4F)N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1	0.53
COc1nc2ccc(Br)cc2cc1[C@@H](c1ccc(N(C)C)nc1)[C@@](O)(CCN(C)C)c1cccc(F)c1	0.89
O=C(O)C[C@H](CN1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1)c1cccc(-n2cccn2)c1	0.7943
Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)cnc2[nH]1	25
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccccn23)[C@H](C1)c1cccc(F)c1	2.7
Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCSCC1)c1cccc(F)c1	0.7
CC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21	1.4
C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC3CCC3)cc2)cc1	0.75
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc2cc(C)nn2c1C	8.8
CS(=O)(=O)O.NC[C@H]1CC[C@]2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3	1.8
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(ccc4[nH]3)C(F)(F)F)c2c1	1
CC1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C(F)(F)F)(O)C)CC1(CC1)c1ccncc1	0.44
Cc1ccc(cc1)CC1CCN(CC1O)CCS(=O)(=O)c1ccc(cc1)O	3.7
COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCOCC2)o1	15.8
NC(=O)C1CCN(CC1)c1c(Cl)cncc1Cl	10
CN1CCC(COCc2cc(cc(n2)N2CCCC2)C(F)(F)F)(CC1)c1ccccc1	7.4
Cc1ccc(cc1)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O	0.3
COc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1	10
C[C@H]1N(CCn2c1nnc2-c1cccc(O)n1)C(=O)c1ccc(cc1)-c1cccs1	20
CCOC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1	3.6
Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)s1	3.38
COc1ccc(cc1)C1CN(C(=O)N1CCc1ccc(cc1)OC(F)(F)F)NS(=O)(=O)C	5.6
Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N	193.9
Fc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	8.75
CO[C@H]1C[C@@H](n2c(=O)n(C)c3cnc4cc(F)c(-c5ccc(N(C)CCN(C)C)nc5)cc4c32)C1	5.7
O=C(Nc1ccc(F)cn1)[C@H](COCCO)Oc1ncnc2c1cnn2-c1c(F)cccc1Cl	31.6228
CC(C)(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12	21
COc1ccc(cc1)c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)C(=O)[C@@H]1CCCN1C	24
CCOc1cc2nnc(c(c2cc1N1CCN(CC1)C)Nc1ccc(cc1F)C)C(=O)N	13
NC1Cn2c(CC1c1cc(F)c(cc1F)F)nc1c2cc(nc1)C(F)(F)F	57
NC1CCC(CC1)N(C(=O)c1ncn(c1)C)Cc1cccc(c1)Cl	65.6
CN(C1CCN(CC1)C(C)=O)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F	10
CC(C)(C)CCN1CCC(CNC(=O)Cc2ccc(cc2)C(C)(C)C)CC1	1
CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCC2CCCCC2)CC1=O	3.3
CCc1ccc(cc1)COC(=O)N1CCC(CC1)CNc1ncccn1	5.2
CC(=O)Nc1ccc2CCN(c2c1)c1cc(NC2CC2)n2ncc(C#N)c2n1	33
COc1ccc2ncc(F)c(C(C)(O)CC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	6.5
OCCN(C(=O)[C@H](Oc1cccc2c1c(ncn2)Nc1ccc(c(c1)C)OCc1cnccc1C)C)C	12
CCc1nc2c(n1[C@@H]1C[C@H]3CC[C@H](C1)N3CC[C@@H](c1ccc(cc1)F)NC(=O)c1cc[n+](cc1)[O-])cccc2	0.663
NC1=N[C@](c2cccc(F)c12)(c1ccncc1)c1cccc(c1)-c1cncnc1	3.1
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOC[C@@H]2C)c2ccc(nc2n1)-c1ccccc1	4
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1nccs1	3.7
CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1	5.4
CN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cncc2	1.26
CC(C)Oc1cc(C2CCNCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	5.3
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(cc1)C(F)(F)F	0
COc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1	0
c1ccc2c3c([nH]c2c1)C(C1CCOCC1)NC(c1nc(C2CCCCC2)c[nH]1)C3	0.136
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1	8.7
CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccnc(N)c1	22.9
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1)C(=O)OC1(COC1)C(F)(F)F	30
CN(C)C(=O)N1N=C(C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F	9.65
NC(=O)c1ccn(-c2cccc(OC(=O)NCCCN3CCN(c4ccccc4)CC3)c2)c1	3.5481
N[C@H]1CCCC[C@H]1Nc1ccc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1	30
CC(N1C(C(=O)NCc2ccccc2)c2ccccc2C1=O)c1ccccc1	33
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC(N)=O)c(=O)o1	34.5
CN(c1ccc(cc1)[C@@]12C[C@@H]1CNC2)S(=O)(=O)c1ccccc1	63.1
OC(=O)CCNC1CC[C@]2(C1)Cc1ccccc1Cc1ccccc21	63.1
Cc1cc(C[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)cc(C)c1F	4.65
COc1cc(-c2cn(C3CCc4ccccc4N(Cc4ccncc4)C3=O)nn2)ccc1-n1cnc(C)c1	6.22
O=C(Nc1c(cccc1C)C)[C@H]1N(CCCC1)C	156.2001
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1	0
COc1ccc2ncc(F)c(CC(OCCO)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	1.4
C[C@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1	0
NC1=NC(c2ccccc12)(c1ccncc1)c1cccc(c1)-c1cncnc1	16
Clc1cccc(c1)N1CCN(CC1)CCCCCCN1CCN(CC1)c1cccc(c1)Cl	0.3
CCN1CCNC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1	8.9
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(=O)OC	5
O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1	2.1
Clc1ccc(cc1Cl)C1CCCCNC1	6.1
FC1CCN(CCCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1	15.8
Fc1ccc(cc1)N(CCNCCc1ccccc1)c1ccc(F)cc1	0
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(c2ccccc2)c2ccccc2)nn1	3
c1ccc([C@]2(CCNCc3cccs3)CCOC3(CCCC3)C2)nc1	2.3
Nc1nc2cc3CCN(CC(F)(F)F)CCc3cc2s1	33
COc1ccc(CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)c(c1)-c1cnc(OC)nc1	6.3
OC(=O)[C@]12C[C@H]1CN(C2)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21	39.8
Cn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N4CCC4)cc3c(=O)c2c1	30
FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1	14
COCCNCCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2n1C	1.5849
COc1cc(ccc1SC)Oc1ccncc1CN(C)C	2.42
CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1	3.7
C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12	30
COc1ccc2nccc(NC(=O)[C@@]3(O)CC[C@@H](CC3)NCc3cc4OCCOc4cn3)c2c1	200
CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3	0.6918
CC1CCCN(C1C)C(=O)c1csc(n1)Nc1ccc(cc1)C	50
CN(C)CCOC(c1ccccc1)c2ccccc2.CN3C(=O)N(C(=O)[O-])c4nc(Cl)[nH]c4C3=O	9.1201
CO[C@H]1C[C@@H](n2c(=O)n(C)c3cnc4cc(F)c(-c5ccc(NCCN(C)C)nc5)cc4c32)C1	24
c1cncc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1	2.701
CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ccc2n1C	4.9
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccc(F)cc1	6
COCCNc1nc(c2ccc(cc2Cl)Cl)c2c(n1)N(C(=O)NC2)c1c(Cl)cccc1Cl	3
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F	10
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2cnsn2)C3=O)ccc2c1COC2=O	6.1
Cc1cc(Nc2ccccc2)nc(NCc2ccc3OCOc3c2)n1	9.5
O=c1ccc(n[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)nc1	9
COc1ccc2CCCC3(CCN(CCCSc4nnc(-c5ocnc5C)n4C)C3)c2c1	6.3
CN(CCN1CCN(C1=O)c1cccc(Cl)c1)Cc1cc2ccccc2s1	1.58
CN1Cc2ccccc2[C@@H](c2ccccc2)N=C1OCc1ccc(NS(C)(=O)=O)cc1.O=C(O)/C=C/C(=O)O	38
COc1ccccc1c1oc2c(n1)c(ccc2)C(=O)NC1CN2CCC1CC2	0.2
C[C@@H]1CN(c2nc(C(F)(F)F)no2)CCN1c1ncc(OCc2ccncc2C#N)cn1	5.9
COc1cc(F)c2nccc(NC(=O)[C@@]3(O)CC[C@@H](CC3)NCc3cc4OCCOc4cn3)c2c1	113
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(F)cc1Cl)S(N)(=O)=O)c1cccc(F)c1	31.6
CC(CN(C(=O)c1ccccc1c1ccccc1)C1CNCC1)C	1.44
Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CN(CC3CC3)C[C@H]12)Cc1cccc(OC(F)(F)F)c1	0.5
Cc1nocc1C(=O)Nc1ccc(c(N)n1)-c1ccccc1OC(F)(F)F	30
C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1	1.7
CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2	4.6
Clc1ccc(c(c1)F)Oc1ncc2c(c1)c(=O)n(c(n2)C)CC1CCCN(C1)C(C)C	0.13
O=C1N(C=Cn2c1nc(c2)C)CC1(CC1)c1ccccc1	100
Clc1cccc(Cl)c1COc1nnc(COc2ccccc2\C=C2\SC(=O)NC2=O)o1	29
CCN1CCN(CC1)Cc1cnc(c(c1)C#N)c1ccc(cc1)C(=O)Nc1ccccc1N	25
CC(C)c1cc(CN2Cc3ccccc3S2(=O)=O)nn1-c1ccc(F)cc1	14.7
CCSc1ccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cccc(F)c2)cn1	0.46
COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34	5.7544
CNC(=O)c1cccc(c1)C1CCN(CC1)[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1COc2ccc(cc2C1)C(F)(F)F	3.1
O=C1O[C@@H](CC)[C@](O)(C)[C@H](O)[C@H](C)C(=O)[C@H](C)C[C@@](OC)(C)[C@H](O[C@H](O[C@H](C)C[C@H]([N@@H+](C)C)[C@@H](O)2)2)[C@@H](C)[C@@H](O[C@H](O[C@@H](C)[C@H](O)[C@@](OC)(C)C2)2)[C@@H](C)1	59
ONC(=O)CCCCCCC(=O)Nc1ccc2ccnc(Nc3cccc(Cl)c3F)c2c1	40
Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(C)(F)F)n1C	2.5
Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1	30
CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F	10
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1CC2CCC(C1)O2	2.4547
COC(=O)N1CCc2c(C1)nc(C)n2[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)c1cccc(F)c1	2
N#Cc1ccccc1OCC(CNC(Cc1ccc2c(c1)cccc2)(C)C)O	3.2
S=C1N=CNc2nc[nH]c12	6.0256
CNc1nc(NCCCN(C)C)c2sc(-c3ccc(OC)nc3)cc2n1	6.8
CS(=O)(=O)c1ccc(CC(N2CCC(CN3CCC(CC3)Oc3ccc(CO)c(Cl)c3)CC2)C(O)=O)cc1	85113.8
O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2sccc2c1	1.9953
C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1	2.2
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccccc1Cl	1.26
C[S+]([O-])c1ccc(-c2cnc3ccc(Nc4ccc(S(C)(=O)=O)cc4)nn23)cc1	26.1
C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1cncc2[nH]ccc12	13
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1ccncc1	30
CCC1(NC(=O)N(C)C1=O)c2ccccc2	10.9648
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(O)c1	43
N#Cc1cnc(s1)Nc1ncnc(c1)N1CCN(CC1)CCN1CCOCC1	5
Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1	26.5
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3ccccc23)-c2ccc(Cl)cc2)c(c1)C(F)(F)F	20
O=C(Nc1ccccc1N1CCCC1=O)COc1c(ccc2c1cccc2)C(=O)NCc1ccccc1	13.26
CCNC1CCCC(C1)c1c[nH]c2c1cc(cc2)NC(=N)c1cccs1	16.3
c1ccc(cc1)OCC#Cc1scc(c1)c1n[nH]c2c1Cc1c2ccc(c1)n1nncc1	10
O=C(N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)C1CCN(CC1)c1nccc(n1)C(F)(F)F	26
c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2ccncc2)c[nH]1)C3	7.518
C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1	10
O1[C@H](CC)[C@](O)(C)[C@H](O)[C@@H](C)[C@@H]([NH3+])[C@@H](C[C@@](O)(C)[C@H](O[C@@H]2O[C@@H](C[C@H]([NH+](C)C)[C@@H]2O)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@](OC)(C2)C)[C@H](C)C1=O)C	273.9
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)N3CCN(CC3)C(=O)N3CCCC3)CC2)c1	14
COc1cc2ccc(C#N)cc2cc1[C@@H](c1cccc(F)c1)[C@@](O)(CCN(C)C)c1cccc2ccoc12	0.6
OC(=O)[C@H](Cc1ccc(cc1)C#N)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	5
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F	10
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CCO	7.7
Cn1c(SCCCN2CC[C@]3(C[C@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1csnn1	0.1122
NC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2	0.4
Cc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCOCC3)c2c1	25.1
FC(Oc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2)F	3.6
O=C/1N/C(=N\C=C\1)NCC5CCN(c3nc2ccccc2n3Cc4ccc(F)cc4)CC5	0.44
Cn1c(SCCCN2CC3CCN(c4cccc(F)c4)C3C2)nnc1-c1cnccn1	0.1995
Cc1cccc(n1)N1CCN(CC1)CCCCCCN1CCN(CC1)c1ccccc1	6.4
FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12	10
CC1(C)Oc2ccc(cc2C2(CSC(N)=N2)C11COC1)-c1cncnc1	10
CC(=O)Nc1ccc2c3c(cccc13)C(=O)N(CCCCN1CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC1)C2=O	0.182
Fc1ccc(cc1)CCN1CCN(C(=O)C1)[C@H]1CCc2c(C1)ccc(c2)CNCC(F)(F)F	10
COc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1	1.7
COc1cc(ccc1C#N)C(C)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1	1.1
NC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1	10
Clc1ccc(cc1)COc1ccn(c(=O)c1)c1ccc2n(c1)c(C)c(n2)C1CC1	10
Cc1c(C(F)CN2CCN(CC(F)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O	40
COc1cccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)c1	15
CNc1nn2cc3CN(C)CCc3nc2c1S(=O)(=O)c1ccccc1	0.5
OC(=O)C1(CCC1)CC1CCC(CC1)CNC(=O)n1c(=O)n(c2c1cccc2)C(C)C	57
OCC1NC(=NC1(c1ccc(cc1)F)c1ccc(cc1)F)c1nccc(c1)C#N	6.1
CC(C)(C)c1ccc(CN2CCC3(CCCCO3)CC2)cc1	15.8
COc1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1	0
N[C@H]1CCCC[C@H]1Nc1ccc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1	8.5
Clc1cccc(c1)N1CCN(CCN2CCCC(C2)OCc2ccccc2)C1=O	0.079
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@@H]1CNCCO1)c1cccc(c1)F	8.1
COc1cccc2nc(ccc12)C#Cc1ccccc1	61.7
CS(=O)(=O)c1ccc(cc1)-c1cnn2ccc(cc12)-c1cccc(c1)S(=O)(=O)C1CC1	1.4
COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)(F)F	7.4
FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CC(F)(F)C3)C(=O)c3ccccc23)cc1	23
Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)[C@@H]1C[C@@H]2CNC[C@@H]2C1	4.3
COC(=O)c1coc(CN2CCN(CC2)C(=O)CC(c2ccc(F)cc2)c2ccc(cc2)C(F)(F)F)n1	3.8
COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(s1)-c1cc2[nH]c(nc2s1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C	25.1
Cc1sc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1	10
C[C@H](O)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	14
CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cc1	30
Oc1ccc(c(F)c1)-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC44CC4)n3)c2c1	0.8
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCCOc3c2C#N)Cn2c3c1c(F)cnc3ccc2=O	60
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1	10.8
CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O	4.2
OCCc1cc(cc(c1)C(F)(F)F)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1c1ccc(cc1)C(F)(F)F	0.9
CC(C)n1cc(Nc2nc(N)nc(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)n2)cc1C#N	30
Cc1nnc(o1)-c1ccc(CN2C[C@H](N)[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1	165
CN(CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O)Cc1ccccc1	0
Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCCCC1)c1cccs1	2.06
C[C@]12CCC(F)=C[C@H]1C[C@@H](N1CCC[C@@H](N)C1)[C@@H]2Oc1ccc(C#N)cc1	8.6
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CS(N)(=O)=O)c1ccc(Cl)cc1	33.3
O=C(C(c1ccccc1)NC1CC1)Nc1cc2cc[nH]c(=O)c2cc1Cl	30
ONC(=O)C=Cc1ccc(cc1)CNCCc1c2ccccc2[nH]c1C(C)(C)C	7.45
N[C@@H]1CC[C@@H](n2cc(-c3ccc4cc[nH]c4c3)c(C(F)(F)F)n2)C1	17
Fc1ccccc1C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1	10
S1[C@@H](NC=C1[C@@H](c1cc(OC(C)C)c(OC(F)F)cc1)c1cc[n+]([O-])cc1)C(O)(C(F)(F)F)C(F)(F)F	21
CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45	7.6
O=C1c2ccccc2C(Cc2c(F)cncc2F)(Cc2c(F)cncc2F)c2ccccc21	12
CCOC(=O)N1CCC(O)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1	3.9
COc1ncc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3c2)cc1C#N	11
Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1	28.9
OC1CCCCC1N2CCC(CC2)c3ccccc3	17.7828
CCOc1c([C@H](C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(F)c1[C@@H]1CNC(=O)C1	75
CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O	29
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cncc(n1)C(F)(F)F	7.6
CC(C)C1=NC(N=C1N)(c1ccccc1)c1cccc(c1)-c1cncnc1	33
COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cncn3)ccc-21	80
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4cc(ccc34)S(C)(=O)=O)CC2)c1Cl	31.6
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCC(F)(F)F)nc1	12.5892
Clc1cccc(c1)N1CCN(CCN2C[C@H]3CC[C@@H]2C3)C1=O	12.5892
Fc1ccc(cc1)C(=O)CCC[N@H+](CC=C([N+]1=C2C=CC=CC2=NC1=O)CC1)1	0.032
OC(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc2[nH]c(=O)oc2c1	30
CNC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1	12
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCCCN2CCCC2)cc1	100
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(S)o1	10.4
Nc1nc2ccc(OCC(F)(F)F)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F	33.3
ONC(=O)c1cccc(c1)C(=O)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	80
Clc1ccc(cc1)C(=O)C1CC[N+](CC1)(CCc1ccccc1)Cc1ccccc1	0.01
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@@H]2C)cc1	3.8
c1ccc2c3c([nH]c2c1)C(C1CCOCC1)NC(c1nc(C24CC5CC(CC(C5)C2)C4)c[nH]1)C3	0.506
CS(=O)(=O)Nc1ccc(c(F)c1)-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC44CC4)n3)c2c1	2.3
CCCCCCCN(CCCC(c1ccc(cc1)Cl)O)CC	0.081
Cl.O=c1n(C[C@@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1	25
O=C1OCc2cc(CCC3(O)CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21	6.5
CN(C)c1ncc(cn1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	9.8
CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13	5.6234
Cc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O	50.1
C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F	10
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1ccc(F)cc21	17
O=C1OCc2cc(CCC3CCN(C(=O)Cc4ccc(-n5cnnn5)nc4)CC3)ccc21	5.4
Fc1ccc(cc1)C(CCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1)c1ccc(F)cc1	0.75
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl	0.1
CC(C)C1=C(CN(C)C(C)Cc2ccccc2)N(C)N(C1=O)c3ccccc3	21.3796
CC(C)COc1cccc(/C=C2\SC(=O)NC2=O)c1N1CCC[C@@H](N)C1	23
CN1CCN(CC1)c1cccc2c1CC(CO2)NC(=O)c1nn(nc1C)c1ccc(cc1C)C	10
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nnco1	27
NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccccc1	31.6
CC[C@@H]1CN2CCc3c([C@H]2C[C@H]1C[C@@H]1NCCc2c1cc(OC)c(c2)O)cc(c(c3)OC)OC	5.3
NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(CC4)c4nc5cc(Cl)ccc5[nH]4)c3c2)cc1	33
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)N(C)C(=O)c3ccc4OCC(=O)Nc4n3)c2n1	30
CS(=O)(=O)c1ccc(-c2noc([C@@H](CC3CC3)[C@H](N)C(=O)N3CC[C@H](F)C3)n2)c(F)c1.O=C(O)C(F)(F)F	58.5
CN(C1CCN(Cc2ccc(nc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1	13
COc1cc2nnc(c(c2cc1N1CCN(CC1)C)Nc1cccc(c1F)Cl)C(=O)N	10
CN(C/C=C/c1ccc2ccccc2c1)Cc1ccc2c(c1)CCO2.Cl	6.7
O=C(CN1C(OC2(C1=O)CCCCC2)c1cc(F)cc(c1)F)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2	14
Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl	6.6
OC[C@H]1O[C@H](C[C@H]1N=[N+]=[N-])N2C=CC(=O)NC2=O	7.5858
CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31	2.4
CN1C(C)(C)CC(Nc2nc3c(-c4ccc(C(=O)N5C[C@@H]6C[C@H]5CO6)cc4)cnn3c(N)c2-c2ccccc2)CC1(C)C	4.7
c1cncc(C(Cc2ccccc2-c2ccncc2)c2cccnc2)c1	22.1
O=C(COc1ccc(cc1)NS(=O)(=O)C)NCCCc1ccc(c(c1)Cl)Cl	100
Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCC2)CC3)c1	15
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1F	10
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(C)cc2)c1C	1.9
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1	7.52
C(N1CCN(Cc2ccccc2)CC1)c1nc(no1)-c1ccccc1	12.7
O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2c(F)cccc2F)Cn2c3c1c(F)cnc3ccc2=O	0
NCCC(c1ccno1)Oc1nc(ccc1C#N)C(F)(F)F	10
COc1ccc2ncc(F)c(C(=O)CC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	3.7
Fc1cc2c3N(C=C(C(=O)[O-])C2=O)[C@@H](COc3c1N1CC[NH+](CC1)C)C	1411.9997
Cc1cc(cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1)C#N	10
Clc1cc2N(O)[C@H]([NH+]3CC[NH+](CC3)C)c3c(Nc2cc1)cccc3	133.3
O=C(O)c1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1	0.839
COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1	1.1
N[C@@H](Cn1c2cc(F)ccc2ncc1=O)[C@H]1CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1	333
CN(Cc1ccc(C(F)(F)F)nc1)c1cc(C(=O)Nc2nncs2)ncn1	14
COc1ccc2ncc(C#N)c(CC(O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0
CC(C)Cc1ccc2nn(C)cc2c1NS(=O)(=O)c1ccc(CCCOC[C@@H]2CCCN2C)cc1	3
COc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1	19.9526
COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O	31
Clc1cc2c([nH]c(-c3ccccc3)c2[C@@H]2C[NH2+]CC[C@@H]2F)cc1	7
C[C@@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cncnc1	10
O=C1[C@@H](CCc2c(N1CC(F)(F)F)cccc2F)n1nnc(c1)c1ccc(cc1F)n1cnc(c1)C	9
COC[C@H](C)Oc1cc(Oc2ccc(C(=O)N3CCC3)nc2)cc(C(=O)Nc2cnc(C)cn2)c1	40
CC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N	0.49
Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1Cl	3.9811
CN([C@@H]1CCN(C1)C1CCCCC1)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12	2.8
COc1cccc(c1)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C	1.58
Cc1ncccc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C	2.7
CCCN(c1cccc(c1)S(C)(=O)=O)P(=O)(c1ccccc1)c1ccccc1	33
Clc1cccc(c1)N1CCN(C1=O)CCN1CCC23C1CC(C3(C)C)CC2	0.79
Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCCCOC)c(cn1)C(C)C	30
Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(C2)c2ccccc2)n1C	6.3
COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4	7.4131
N[C@@H]1CO[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	3.3
Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl	6.9
CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1	30
Cc1cc(=O)n2nc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ccc2n1.O=C(O)C(F)(F)F	33.2
Oc1ccc(Cn2c(-c3cscn3)nc3ccccc32)c2cccnc12	18
CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1	9.2
CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2)C1	13.5
Fc1ccc(-c2nc(N3CCOCC3)sc2-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)cc1	5.4
Cc1cnc(cn1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	1
CC(Cc1ccccn1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O	8.6
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nccs1	100
C[C@H]1OC(=O)[C@]2(CCC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12	60
CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2-c2ccc(C3(C#N)CC3)cc2)CC1	10.94
Cc1ncc(CNC2CCN(CCn3c4ccc(=O)n(C)c4ccc3=O)CC2)cc1C#N	33
Fc1cc2[nH]c(C3CCCCCC3)c(c2cc1)[C@@H]1C[NH2+]CC[C@@H]1F	5.4
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl	29
C(N1CCC(CC1)Oc1ncnc2n(Cc3ccccc3)ccc12)c1cscn1	0.76
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1ccc(cc1)C#N	2
COc1c(C)cc(cc1C)[C@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1	33
COc1ccc2ncc(F)c(C(CO)CC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	11
Cn1c(SCCCN2C3CCC2CC(C3)c2cccc(c2)C(F)(F)F)nnc1c1ocnc1C	0.5
CCCCCCCN(CC)CC#Cc1ccc(Cl)cc1	4.08
ONC(=O)C=Cc1ccc(cc1)CNCCc1c([nH]c2c1cccc2)c1ccccn1	1.54
COc1ccc2ncc(F)c(C[C@H](O)C3CCC(CO3)NCc3nc4NC(=O)COc4cc3F)c2n1	2.4
O=C1COc2ccc(CNC3CCN(CCn4c5cc(Oc6ccon6)cnc5ccc4=O)CC3)nc2N1	100
COCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1	33
N#Cc1ccc(cc1)Cn1cncc1CNC1CCN(C1)C(=O)c1cccnc1N	50
[2H]C(Nc1cc(C(F)(F)F)cc2ncc(N3CCN(CC([2H])([2H])O)CC3)cc12)c1cccc([N+](=O)[O-])c1	0.48
Cc1ccc2cccc(NC(=O)[C@@]3(O)CC[C@@H](CC3)NCc3cc4OCCOc4cn3)c2n1	2
Cc1c2CCCN3CCC[C@@H](C3)Nc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12	3.4
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1F	10
Clc1ccc(cc1)c1cc2C(NC(=O)c3n[nH]c(n3)C)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	2
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(Cc2ccccc2)[C@H](C)c2ccccc2)nn1	0.4
COc1cccc(C(c2cc3cc(C#N)ccc3nc2OC)C(O)(CCN(C)C)c2cc(C)nc(C)c2)c1OC	5.2
Fc1ccc(cc1)C(OCC[NH+]1CC[NH+](CC1)CCCc1ccccc1)c1ccc(F)cc1	0.001
c1cc(F)ccc1C(c2ccc(F)cc2)OCC[NH+](CC3)CCN3CCCc4ccccc4	0.8318
Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1	0
CCC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(c1)C(F)(F)F	1.2
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc5nonc45)c3c2)CC1	0.107
Cc1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1	4.6
CCCS(=O)CCCN(CC)CC(O)COc1ccc(cc1)C#N	0.1
CCOc1cc(CN2CC[C@H]3C(Nc4nc5ccc(C(=O)O)cc5o4)CC[C@H]32)cc(OCC)c1-c1ccc(F)cc1	15
CCOc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)N(Cc1nc2c(s1)cccc2)C	8.43
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O.Cl	2.4
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)c(C)c1	10
Cc1ccc2c(n1)cccc2c1nnc(n1C)SCCCN1C[C@@H]2[C@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.16
F[C@@H]1CN(CCn2c3cc(F)cnc3ccc2=O)CC[C@@H]1NCc1ccc2OCC(=O)Nc2n1	100
O=C(c1ccccc1C(C)C)N(C1CNCC1)CC1CC1	17.6
Cc1ccc(cc1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	13.2
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(Cl)nc2)C(C)(C)C1	2.1
O=C(O[C@H](C[C@@H]([N@H+](C)[C@H](CC1)[C@H](C(=O)OC)2)1)2)c1ccccc1	7.2
O=C(NC1CN(C1)C1CCC(CC1)c1cnccn1)CNC(=O)c1cccc(c1)C(F)(F)F	1
Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C	1.2589
CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1	1.6
COCCc1ccc(cc1)OCC(CNC(C)C)O	19.9526
FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1	3.9811
Cc1ccc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1	8.1
Cc1cc(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@](C)(Cc2ccc(F)cc2)C(O)=O)CC1	31.6
COc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1	10
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCC(O)C2CCNCC2)cc1	5.3
CC(=O)N1CCC(n2nc(C)c(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)c2C)CC1	23
CC(N1CCC(CC1)n1c(C)nnc1C(C)C)CC(c1ccccc1)NC(=O)C1CCC1	4
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C2CCCC2)c2ccc(cc12)C(F)(F)F	4.1
COc1cc(-c2cn(C3CCc4cccnc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1	8.74
NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccsc3)sc12	28
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2cccc(OC)c2F)cc(S(C)(=O)=O)n1	1.8
Cc1ccc(cc1)Cn1c(nc2c1cccc2)[C@H]1CNCCS1	5.68
Cc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O	1.9953
Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1	2.9
Fc1ccc2c(c1)N1N=C(C(C1CO2)(CCCN1CCC(=O)N(CC1)C)c1ccccc1)C(=O)C	9.6
Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4nc(oc4c3CC2)C(C)(F)F)n1C	5
C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]2CC[C@H]3\C(=C\C=C/4\C[C@@H](O)C[C@H](O)C4=C)\CCC[C@]23C	11.2202
C[C@@H]1C[C@H]1C(=O)N1CCN(c2cnc(C#N)c(-c3cnn(C)c3)n2)C[C@H]1C	23
O=C(CCCc1c[nH]nn1)NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1	20.9
O=C1COc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2N1	0.6
CCN(CC)CCC(=O)N1c2ccccc2Sc3ccc(Cl)cc13	5.0119
COC(CN1CCN(CCc2ccc(C#N)c(OC)c2)CC1)c1ccc2C(=O)OCc2c1C	9
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCNC(=O)C1	33
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCNCC2=O)cc1	25
CNS(=O)(=O)Nc1cccc(c1F)Cc1c(=O)oc2c(c1C)ccc(c2)Oc1ncccn1	50
FC(F)(F)Oc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(c2C1)-c1ccncc1	2.5
CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1	5.45
O=C(N(CC1CCC1)[C@H]1CCNC1)c1ccccc1Oc1ccccc1	0.76
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C(F)(F)F	16.3
Clc1ccc(cc1)CCCN1CC[C@H](C1)N(C(=O)N1CC[C@H](C1)N(C(=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)C)C	0.17
O=C(N(C1CC[NH+](CC1)CCc1ccccc1)c1ccccc1)CC	1.82
COC(=O)N1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(OC)c1	33
Clc1ccc(cc1)c1cc2C(NC(=O)c3c[nH]nc3C)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	1.1
COc1ccc2c(n1)c(ccn2)C(C[C@@H]1CC[C@H](CO1)NCc1ccc2c(n1)NC(=O)CS2)O	0.5
Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(cn1)-n1cnnn1	12.3
OC1(CCN(CC1)c1cc(ccn1)C(F)(F)F)C(=O)N1CC[C@@H](C1)N[C@H]1CC[C@](O)(CC1)c1ccc(cn1)-c1ncccn1	30
CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1	2.4547
C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1	10
Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1	2.8
Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1	7.9433
CC(=O)NC(c1cccc(c1)F)CCN1C2CCC1CC(C2)n1c(C)nc2c1CCN(C2)C(=O)C	5
CC(C)c1ccc(S(=O)(=O)Nc2ccc(C34CNCC3C4)cc2)cc1	1
OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12	2.4
Cn1nccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	0.6166
C[C@@H](C[C@@H](CS(=O)(=O)N1CCC(CC1)OCc1ccc(Cl)cc1Cl)N(O)C=O)c1ncc(F)cn1	5
COc1cc2c(cc1OC)nc(nc2N1CCC(CC1)CCNS(=O)(=O)N)/C=C/c1cccnc1	0.276
COc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(COCC(F)(F)F)nc1	12.5892
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1	10
CCNC(=O)N1CC2(CCN(CC3CCN(CC3)C(=O)OCC)CC2)c2cccnc12	0.2
Cn1cnc(c1)S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1	30
CN(c1ccc(-c2cc3ccccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1	0.08
Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1	10
CN(C)C1C2CC3Cc4c(ccc(O)c4C(=C3C(=O)[C@]2(O)C(=O)\C(=C(/N)\O)\C1=O)O)N(C)C	8.1283
O=C1[C@H]2CCN1[C@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13	4.7
Fc1ccc(cc1)C(CCCN1CCC(CC1)(O)c1ccc(cc1)Cl)O	0.1413
CC(C)=CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3ncc4ccccc4c3C#N)c(=O)c12	1.8
CC(=O)NCCc1ccccc1-c1ccc([C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1.Cl	0.006
CC(C)NC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	6.2
Fc1cnc2nc(oc2c1)N1CCN2CCC1CC2	8.7
C#Cc1cnc(cc1NC[C@@H]1CNCCO1)Nc1cnc(cn1)C#N	8.2
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(NC(=O)c2ccc(Cl)cn2)c1	1.3
Cc1cc(C)nc(n1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1ccccc1-n1nccn1	10
CC(=O)n1ccc2cc(ccc12)N1CCN(CCN2Cc3ccccc3C2)C1=O	10
Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C	1.1
CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)N=C(N)N	7.7625
CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1	0.14
O1c2cc(ccc2OC1)[C@@H]1N2[C@H](Cc3c1[nH]c1c3cccc1)C(=O)N(CC2=O)C	100
CO[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1	176
Cc1nn(C2CCN(CC(=O)N(C)C)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1	7.8
N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CNCCCO3)cc2)cc1	17
CC(Oc1ccccc1CC=C)C1=NCCN1	16.7
CN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2	0.2
FC(F)(F)COc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3ccncc3)c2C1	6.3
OCCn1nc(c2c1ccc(c2)C(F)(F)F)NCC(=O)NC1CN(C1)C1CC[C@](CC1)(O)c1nccs1	50
CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cc(ccc2NC(=O)NCC)C(F)(F)F)C1=O)N(C)C(C)C	14
Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1ccncc1	1.58
COc1cccc2OC(C(C)S(=O)(=O)c12)c1ccc(OCCCN2CCCC2)cc1	6.3
Fc1ccc(F)cc1C=1CN(C(=O)N(C)C)[C@H](C=1)c1cc(O)ccc1	33
Fc1ccc(cn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	0.3
Fc1ccc(cc1)N1N=C[C@H]2[C@@H]1C=C1CCN(C[C@@]1(C2)C(=O)c1ccccn1)S(=O)(=O)c1ccc(cc1)F	0.98
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C	21
Cc1cccc(Nc2nc(NC[C@H]3CCCN3)ncc2C(N)=O)c1	2.5
CS(=O)(=O)c1ccc2c(c1)nc1n2C[C@H](N)[C@@H](c2cc(F)c(F)cc2F)C1.O=C(O)C(F)(F)F	38
Clc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12	2
CC(C)Cc1cc(CNC(=O)C2C3CN(C(=O)Cc4ccccc4)CC32)nn1-c1ccccc1	20.8
C[C@@H]1OCC2(CCN(c3cnc4c(-c5cccc(Cl)c5Cl)c[nH]c4n3)CC2)[C@@H]1N	0.007
Nc1nccn1CC(O)c1cccc(Cl)c1Cl	22
CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1	35.2
COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C	13
Cc1cnc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	28
c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2csc4ccccc24)c[nH]1)C3	0.087
CCc1nn(c2c1nc(nc2Nc1ccncn1)N1CCNC(C1)C)CCOCC(F)(F)F	1.4
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccncn2)C3=O)ccc2c1COC2=O	21.9
COCc1ccc(-c2cc3c(cc2F)ncc2c3n([C@H]3C[C@@H](O)C3)c(=O)n2C)cn1	15
COc1ccc(CN2CCC(CNC(=O)c3cc(OC)cc(OC)c3)(CC2)C#N)cc1	3.2
CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1	0.45
CN1CCN(c2ccc(NC(=O)c3cc(N(C)Cc4ccc(C(F)(F)F)cc4)ncn3)cc2)CC1	0.9
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnc(cc21)C(F)(F)F	57
Cc1cc(nn1C)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1	31.6
CC1CN(CCN1C(=O)C(=O)c1c[nH]c2c1cccn2)C(=O)c1ccccc1	80
O=C(NC(c1ccc(Cl)cc1)c1ccncc1Cl)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1	0.69
O=C(N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)CC2)CC1)c1ccncn1	0.2
Cc1nnc([nH]1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1	2
OCC(N1CCOCC1)c1ccccc1	60
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC1CCC1	0.75
O=C1NC[C@@H](c2ccccc2)C12CCN(C1CCCCC1c1ccccc1)CC2	1.4
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cc2cnccn2)c2ccccc2)c1	5.3
CN1C2CCC1C(C(=O)O)C(OC(=O)c1ccccc1)C2	3981.0717
COc1ccc(cc1)[C@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1	4.7
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1	10
C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cc1	10
NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1	0.077
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCOc3c2)Cn2c3c1c(F)cnc3ccc2=O	60
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1	30
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(Cc2ccc(F)cc2)C2C3CC4CC(C3)CC2C4)nn1	0.2
OC(CNc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1)c1ccncc1	28.2
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2Cc1cccnc1	3.5
Cc1nccn1c1ncnc(c1)N1CCC(CC1)CCNS(=O)(=O)N	10
O=C(O)C[C@H](CN1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1)c1cccc(Br)c1	1.2589
CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)c(Cl)c1	1.8
CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2ccccc12)c1ccccc1	1.5
OC(=O)CN(C1(CCC1)c1ccc(cc1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1	15
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1nc(cs1)C(F)(F)F	3900
COc1ccncc1-c1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1	8.48
CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C	47.5
CN(C)CCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1	10
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1cccnc1	30
COc1ccc(CCN2[C@H](CN(NS(=O)(=O)Cc3ccccc3)C2=O)c2ccc(OC)cc2)cc1	4.4
CN1CCN(C)C(C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1	13
O=C(N1CCC2(CC1)C(=O)Nc1c2cccn1)N[C@@H]1CC[C@H](Cn2c1nnc2CC(F)(F)F)c1cccc(c1F)F	30
Cc1ccc(cc1)Cc1cccc([n+]1C)Cc1ccc(cc1)C	0.024
s1cc(cc1)CN1CC(=O)N(CC1)[C@H]1CCc2cc(ccc2C1)CN(CC)CC	1.2
OCC[C@]1(CCCNC1)c1ccc(Cl)c(Cl)c1	33
CC(C)Oc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	11.2
Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1c(C)noc1C	37
COc1ccc2ncc(F)c([C@@H](O)CN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1	42.2
Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1N1CCOCC1	0.32
COc1ncc2ccc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1	206
OC(=O)\C=C/C(O)=O.CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCOCC2)cc1	10
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O	72.4436
FCC1SC(=N[C@@]2([C@H]1CC(OC2)c1occ(n1)C)c1ccc(cc1F)F)N	19.6
CN(C)C(=O)c1cc(CN2CCOc3c(F)cccc32)c2oc(N3CCOCC3)cc(=O)c2c1	94
O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2cccc(c2)C#N)nc1	5.4
ONC(=O)C=Cc1ccc2c(c1)CN(C2)C(=O)Cc1c(C)[nH]c2c1cccc2	30
CCCCOc1cc(Cl)cc(OCCCC)c1/N=N/c1c(O)ccc2ccccc12	0.4
O=C1CN(CCN1c1ccc(cc1)OCCCN1CCCCC1)C(=O)c1ccncc1	63
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccno1)c1cc(=O)[nH]cn1	22
Clc1cc(Cl)ccc1CO[C@@H](C[n+]1ccn(c1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	0.03
Brc1cncc(COCC2(CCNCC2)c2ccccc2)c1	15
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1	9.6
N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2=O)cccc1	1.53
O[C@H]1CN(C[C@H]2C[C@H](O)c3ncccc3C2)CC[C@@H]1c1ccc(F)cc1Cl	50
Cc1cn(cn1)-c1ccc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)nc1	5.2
OC(CN(Cc1ccc(c(c1F)F)F)CCc1ccc(c(c1)Cl)Cl)COc1ccc(cc1)NS(=O)(=O)C	1.7
CC(C)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1	7.9
CC(Oc1ccccc1CC1CC1)C1=NCCN1	8.9
O=C(N1CCCC1)CN1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N	30
COc1nc2ccc(CO)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12	10
CC(=O)N1CCC(n2cc(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)c(C)n2)CC1	7.2
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCN(C(=O)NC(C)C)CC2)C[C@H]1OC	7.551
N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CC4)nc3C2)CO[C@@H]1c1cc(F)ccc1F	21
O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)c(F)c1	1.89
COc1cccc(c1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1	10
CC1(C)Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1	10
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)nc(c1)C1CC1	5.5
CNC(C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.Cl	23
Cc1ccc2nc(CN3CCN(CC3)C(=O)CC(c3ccccc3)c3ccc(F)cc3)oc2c1	2.27
O1c2c3c(CC(=O)c4c(CC[NH+](C3)C)cc3OCOc3c4)ccc2OC1	165
NCC[C@@H](Oc1nc(ccc1C#N)C(F)(F)F)c1ccno1	10
Cl\C(=C(\c1ccc(OCC[NH+](CC)CC)cc1)/c1ccccc1)\c1ccccc1	0.18
N1CCC(CC1)C1NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)c1ccccc1	5.1
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	4.1
Fc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3ccncn3)n2)cc1	0.6
C[C@@H](c1nnn[nH]1)c1ccc(cc1)Nc1scc(n1)C(F)(F)F	10
Fc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12	5.6
C[C@@H]1CN(CCN1)c1nc(Nc2ccncn2)c2n(CCOCC(F)(F)F)nc(C)c2n1	0.9
CC(C)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2	7.4131
COc1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1	100
CCCN(C(=O)c1ccccc1SC)C1CNCC1	20
CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccc(C)nc3)cc12	3.3
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCCO3)cc1	13
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cc(F)cc2F)c1cccc(c1)-c1cncc(c1)C#CC	3.1
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1	238
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1	20
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCn2cncn2)C[C@H]1OC	7.711
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccoc12	0.8
C[C@H]1NCc2c(C1)c(ncn2)Oc1ccc2c(c1)n(cc2)C(=O)Nc1noc(c1)C1(CC1)C(F)(F)F	8.6
COc1cccc(c1)N1CCN(CC1)CCCCCCN1CCN(CC1)c1cccc(c1)Cl	1.2
O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCN(CC1CCOCC1)C3	0.35
Cn1cc(cn1)-c1cnc2ccc3ccc(NS(C)(=O)=O)cc3c(=O)c2c1	0.33
C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2)cc1	2.5556
N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OCCCCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2	13
Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1	10
C[C@@H]1CN(CC2(CC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F	0.4
C[C@H]1NCc2c(C1)c(ncn2)Oc1cc2c(cc1O)ccn2C(=O)Nc1noc(c1)C1(CC1)C(F)(F)F	7.4
Oc1csc(n1)-c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F	4
CN1C(=O)CN=C(c2ccc(Cl)cc2)c3cc(Cl)ccc13	7.4131
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CN(C)C)n1	32
Cc1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1	30
CC(CCC1(CCCN1)C(=O)c1ccc(c(c1)Cl)N)C	10
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(CC)c2ccc(cc12)C(F)(F)F	7.6
Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12	1.591
c1ccc(cc1)C1Sc2ccccc2OC1c1ccc(cc1)OCCCN1CCCC1	0.012
N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2	13
CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1	10
ONC(=O)\C=C\c1ccc(CNCCc2c([nH]c3ccccc23)-c2cccs2)cc1	0.48
CCSc1ccccc1C(=O)N(C1CNCC1)CC1CCC1	7.57
C[C@@H](C1CCC(N(C)C(=O)C2CC2)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1.Cl	39
N#Cc1ccc(NC(=O)[C@H](CN2CC(O)C2)Oc2ncnc3c2cnn3-c2ccccc2Cl)nc1	10
OC(=O)c1cc(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c2ccccn2c1=O	0.1
Cc1c(C(F)CN2CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)CC2)ccc2c1COC2=O	22
CCOC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(F)cn1	63.0957
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccns2)C3=O)ccc2c1COC2=O	8.9
N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1	300
Fc1cc2CC[C@@H](Oc2cc1)[C@H](O)CNC[C@@H](O)[C@@H]1Oc2c(cc(F)cc2)CC1	0.3
Cc1nc(nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCCC1	0.45
CC(=O)c1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1	0
O=C1OC2(CN1c1cccc(n1)C)CCC(CC2)c1nc2c([nH]1)cc(cc2)OC(F)(F)F	2
OC1CCN(CC1)C(=O)c1ccc(cc1)OC1CC(C1)N1CCCCC1	30
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCC(O)CO)c2cc(F)ccc12	3
CCCCCCCN(CC)C/C=C/Cc1ccccc1	0.176
COc1cnc2ccc(=O)n(CCN3CCC(CC3)C3C(=O)Nc4ccc(Cl)cc34)c2c1	4.8
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1	3.8
Nc1nnc(o1)c1ccc(cn1)C1(CCCO1)c1ccc(cc1)OCc1ccccn1	32
CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1	1.2
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccnnc1	2.5119
Cc1ncc(s1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F	25
COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CCC3)cc21	38.1
Fc1ccc2c(c1)n1CC(N)C(Cc1n2)c1cc(F)c(cc1F)F	17
O=C(NC1CCC(CC1)c1ccc(cc1C)O)CCc1ccccc1	30
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2cnc(OC)c(N)c2)c(OC)c1	25
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C(F)F	10
S1c2c(N(c3c1cccc3)CCC[NH+]1CC[NH+](CC1)C)cc(cc2)C(F)(F)F	0.234
[N+]1CCCC[C@H]1(CC(C1CCCCC1)C1CCCCC1)	7.8
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cc(ccn1)C#N)c1ccc(cn1)-c1ncccn1	30
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(Br)cc2)n1C	0.2
COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1	3
Cc1cc(ccc1-c1ccnc(NCc2n[nH]c3nc(F)ccc23)c1)C#N	2.7
COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@H](F)C3)c2c1	25
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3cccnc3)c2c1	36
Cc1cc(ccc1-c1ccnc(NCc2[nH]nc(c2Cl)-c2ccccc2)c1)C#N	30
Fc1c(N2C[C@H]([NH2+][C@H](C2)C)C)c(F)c2[N+](=C[C@@H](C(=O)[O-])C(=O)c2c1N)C1CC1	18
Fc1cnc2c3c1C(O)(Cn3c(=O)cc2)CC12CCC(CC1)(CO2)NCc1ncc2c(c1)OCCS2	60
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1csc(c1)C(O)=O	8
c1ccc(-c2cccc3nc(-c4ccncc4)nc(NCc4ccccn4)c23)cc1	6.7
CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1	0.78
Oc1ccc(nc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1	30
Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4cc(F)ccc34)C2)n1C	2.5
CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C	15.6333
COc1cnc(cn1)-c1cccc(F)c1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1	19.9526
COC[C@H](c1nc2nc(ccc2c(n1)N1CCOC[C@H]1C)c1ccc(c(c1)CO)OC)NC	17
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1	20
CCOC(=O)N1CCN(Cc2nnc(o2)-c2cccc(Cl)c2)CC1	33
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc3ccsc3c2)nn1	10
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)Cc1ccccc1	30
Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1	0.1
Fc1cccc2N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)C(=O)CCc12	5.3
O=C(Nc1ccccc1)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3	2.5119
CC#Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1	1
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1Cl	0.56
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(Cl)nc1	3.6
Cc1cc(C)nc(n1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1cccc(F)c1-n1nccn1	6
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1	30
CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1	30
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1	1.1
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N2C1=O)C(O)=O	6477.6
C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N1CCOCC1	10
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1cccnc1	30
Cc1c(cccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1)C#N	17.6
CCC[C@@H](CCO)Nc1nc(N)nc2cc(F)ccc12	9.1
COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2c(C#N)c(N3CCC[C@H](N)C3)n(Cc3ccccc3)c2c1=O	0.1
COC1CCN(S(=O)(=O)c2ccc(-c3ccc(CCN4CCC[C@H]4C)cc3)cc2)CC1	2
CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.Cl.Cl	18.7
CS(=O)(=O)c1cccc(c1)-c1ccc2ncc(-c3ccc(cc3)C(=O)N3CCC(O)C3)n2n1	33
CNC(=O)c1cc(ccc1OC)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C	32
CNc1nc(NCCCN(C)C)c2sc(-c3ccccc3)cc2n1	8.5
CS(=O)(=O)N1CCN(Cc2ccc3C[C@H](CCc3c2)N2CCN(CCc3ccc(F)cc3)CC2=O)CC1	13
CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1	6.495
CCC(N(C(=O)c1cccc(c1Cl)Cl)C1CNCC1)CC	7.7
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2cc(C3CC3)c(cn2)C#N)CC1	11.6667
O=C(NC1CCN(C1)C1CCC(CC1)(O)c1cccnc1)CNC(=O)c1cccc(c1)C(F)(F)F	30
Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1	67.15
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1	193
O=C(c1cccc(c1)c1nnn[nH]1)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	32
CC(C)S(=O)(=O)N[C@H]1CN(C[C@@H]1c1ccc(cc1)-c1ccc(F)nc1)c1ccccc1	0.08
Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCOCC(F)(F)F)nc1	31.6
OCc1ccc(OC2CCN(CC3CCN(CCC#N)CC3)CC2)cc1Cl	251188.6
Cc1c(CNC2CCC(F)(F)C2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl	21
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1F	0.3
O=C1CSC(=N1)c1cc(cc(c1)C(F)(F)F)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1c1ccc(cc1)C(F)(F)F	4
CC(=O)NCCc1ccccc1c1ccc(c(c1)C)[C@H]1CNCC[C@@]21OCc1c2cc(F)c(c1)F	5.1
Clc1ccc(CCCOCCCN2CCCCC2)cc1	1.7
C[Si]1(C)CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(C3CCCCC3)n2)CC1	2.5
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2ccccc2)C1=O	80
CC(C)Oc1cc([C@@](Cc2ccccc2)(NC[C@H](O)CC(F)(F)F)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F	28
CC(C)(C)CN1CCC(c2ccccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1	4.6
CN(CCn1cc2c3c1cccc3C1=CC(CN(C1C2)C(=O)Nc1ccccc1)C(=O)N1CCCC1)C	30
[2H]C([2H])([2H])Oc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1	23.6667
CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CN(CCc12)C(C)=O)c1cccc(F)c1	5
N#Cc1cccc(COc2ccc([C@H]3CC[C@@H](C(N)=O)N3)cc2)c1	12.5892
COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2c(c1)OC1C2CCNC1	3.3
OC(=O)Cc1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	12.5892
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12	0
O(c1cc2c([nH]c(C)c2C)cc1)c1ncnc2c1cc(OC)c(OCCN1CCN(CC1)CC(=O)C)c2	10.1
Clc1cc2N(c3c(CCc2cc1)cccc3)CCCN(C)C.O(C(=O)c1ccc(N)cc1)CCN(CC)CC	39.81
CNCc1cc(Cl)ccc1Oc1ccc(C)c(C)c1	5.2
Clc1cc(Cl)cc(c1)C(=O)NCC1(CCN(CCc2ccccc2)CC1)C#N	0.36
O=C(NCc1ccncc1)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2ccccc12	33
Fc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCCC2)cc1	4.6
COCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	17.3
CS(=O)(=O)NCCN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	7.2
N#Cc1cc(C(C)C)c2c(c1)nc(o2)c1ccc(cc1)C(=O)NCC1CCC(CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	30
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(C(C)(C)O)nc2)C3)ccc2c1COC2=O	29
COc1c(F)cccc1CC(N1CCNCC1)c1ccccc1	20.8
O=C(NC1CCN(C1)C1CCC(CC1)(O)c1ccccn1)CNC(=O)c1cccc(c1)C(F)(F)F	30
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccccc1	4
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)n1ncc(c1)c1nccnc1	40
CN[C@@H]1Cc2cccc3c2n(C1)c(=O)[nH]3	10
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1	16.94
COCc1ccc(-c2cc3c(cc2F)ncc2c3n([C@H]3C[C@@H](OC)C3)c(=O)n2C)cn1	9
CC(C)(C)c(cc1)ccc1C(=O)CCC[N@@H+](CC2)CC[C@@H]2OC(c3ccccc3)c4ccccc4	0.331
COc1ccc2ccc(=O)n(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1	52
Fc1ccc(c(c1)F)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.4
COc1cccc2c1n1CCN(Cc1c2)CCCCNC(=O)c1ncc2c(c1)cccc2	1.84
C[C@H](Nc1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)-c1cnn(C)c1)C(C)(C)C	29
Cc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3C3CC3)n2)ccn1	4.2
Cc1cccc(Nc2nc(N[C@H]3CCNC3)ncc2C(N)=O)c1	2.5
C\C=C\c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F	13
COc1cnc(nc1NCc1c(F)cc(F)cc1F)-c1ccccn1	25
Cc1cc2[nH]c(nc2cc1C#N)C1CCN(CCn2c3cc(Oc4ccc(cc4)S(N)(=O)=O)cnc3ccc2=O)CC1	33
OC(=O)Cc1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	31.6
Clc1ccc(cc1)CC(C(=O)NC1CC2CCC(C1)N2)NC(=O)C1(CC1)c1ccc(cc1)Cl	1.6
Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(C(=O)N2CCC3(CCCN3)CC2)cc1	12.39
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@H]1CNCCO1)c1cnn(c1)C	8.6
CC(N)C(=O)Nc1c(C)cccc1C	20.4174
COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2cc[n+]([O-])cc2)c1	17.1
CC(C)OCc1ccccc1CNC(=O)c1c2c(c(Cl)n1C)CC(C)(C)CC2	16.5
Fc1ccc(cc1)COC(=O)N1CCC(CC1)CNc1ncccn1	10
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1	0
COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1	31
O=C(C(C(C(=O)N1CCC(C1)(F)F)N)c1ccc(cc1)c1ccn2c(c1)ncn2)N(C)C	16
Cc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1	3.9811
CCCOCCn1c2cc(ncc2nc(c1=O)N1CCN(CC1)C[C@@H](O)C)c1ccc(nc1)OC	0.23
OC1CN2[C@@H]3CC1C[C@H]2C[C@H](C3)OC(=O)c1c[nH]c2c1cccc2	12.1
CCCCN1CCCC1CNC(=O)c2cc(C#N)c3ccccc3c2OC	0.9333
CN(CCC1CCN(CC1)c1nc2ccccc2c(c1)C(=O)NCC1CCC(CC1)CNC(=O)OCC(C)(C)C)C	14
CCN1CCC(CC1)N(C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cn1	9.19
CC(C)(C)NC(=O)NCCN1CCOC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1	33
O=C1[C@@H]2CCN1[C@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13	2.7
COC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1	17
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)C1CCCCC1	30
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnnn3C)nc2cc1Cl	6.3
Clc1ccc(cc1)OC1CN(C1)S(=O)(=O)c1ccc2c(c1)CCNCC2	2.09
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OC(C)C(=O)Nc4n3)c2n1	1.3
Oc1ccc(nc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	10
COc1ccc(CN(CC(=O)N2CCC3(CC2)CNC3)c2ccc(C#N)cc2)cc1F	20.1
COc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1	10
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F	70
CCCC1(CC)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1	3.75
CCOC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C	1.2
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(N)cc3)CC2)c2ccccc12	22.6
Cc1c(CCN2CCN(C(=O)Cc3cncc(-n4cnnn4)c3)CC2)ccc2c1COC2=O	21
O=C(N1CCN(CC1)C[C@H](c1ccc2c(c1C)COC2=O)F)Cc1ccc(nc1)n1cnnn1	22
CN1CCN(CCCCn2c(O)cn(N=Cc3ccc(o3)-c3ccc(Cl)cc3)c2=O)CC1	0.875
O=c1ccc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2[nH]1	0.6
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCc3ccccc3C2)c1	3.8
O=C1COc2c(N1)nc(cc2)CNC1CCN(CC1)CCN1C(=O)COc2c1cc(cc2)c1n[nH]nn1	100
CNc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N	0.67
C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C	30
COCc1ccc(-c2cc3c(cc2F)ncc2c3n(C3CCOCC3)c(=O)n2C)cn1	27
CC(C)(N)c1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1.Cl.Cl	7.4
C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C	63
FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1	20
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ncc(F)cc34)c2c1	12.14
O/N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1	0.28
C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3cnc(OC(F)F)cn3)cs2)CO1	23.6
CC(CCCC(CCCC(C)C)C)CCC/C(=C\CC1=C(C)C(=O)c2c(C1=O)cccc2)/C	5.75
COc1cc(C=Cc2nc3cc(ccc3c(=O)[nH]2)S(C)(=O)=O)ccc1-n1cnc(C)c1	10
COc1ccccc1-c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2	0.2
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1	1.1
N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1	19.6333
CN1CCN(c2ccccc2CNC(=O)c2ccc(F)c(NC(=O)c3cnc4cc(-c5ccnn5C)ccn34)c2)CC1	4
OCCNCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOCC1)N1C[C@H](C)O[C@H](C1)C	27.5
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)NC2C3CC4CC(C3)CC2C4)nn1	4
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O	60
O=C(NC1CN(C1)C1CCC(CC1)C1CCCCC1)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	3.1
C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1	7.7143
COc1cnc2ccc(=O)n(CCN3CCC(CC3)NC(=O)c3cnc(C)c(c3)C#N)c2c1	74
O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1	10.6
CNC(=O)c1cc(Oc2ccc3nc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)sc3c2)ccn1	48.38
Cc1ccc2oc(nc2n1)N1CCN2CCC1CC2	40
CN1CCN(c2ncnc3c2nc(-c2ccc(Cl)cc2Cl)n3-c2ccc(Cl)cc2)CC1	0.35
COc1c(OC(C)(C)C)cc(CN2CC(=O)N(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2=O)cc1OC(C)(C)C	100
COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)CN(CC2CCOCC2)CC4)cc1	2.2
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2)c2ccccc2)C(C)(C)C1	6.7
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21	30.2
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(s1)-c1ccc(C)s1	2
Clc1cccc(c1)N1CCN(C1=O)CCN1CC2CCC1Cc1c(C2)cccc1	0.063
CN1CC(=O)N=C1N	4.3652
O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)C1CCCC1	25.1
CC(C)N1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1	6.3
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cncn1	30
CC1(C)Oc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)c2O1	8.7
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCn2ccnc2)C[C@H]1OC	7.261
CCCCN(CC)C/C=C/CCc1ccc(Cl)cc1	1.868
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1	80
O1[C@H](CC)[C@](O)(C)[C@H](O)[C@@H](C)C(=O)[C@@H](C[C@](O)(C)[C@H](O[C@@H]2O[C@@H](C[C@H]([NH2+]C)[C@@H]2O)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@](OC)(C2)C)[C@H](C)C1=O)C	147
CCCCN(C/C=C\CCc1ccc(cc1)Cl)CC	1.87
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(OCCCN2CCOCC2)cc1	30
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)c1cccc(c1)C(F)(F)F	30
O=C(c1ccccc1)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	2
Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(Cc1ccccc1)C(=O)C1CCC1	3.4
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)NC[C@@H]1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1	2
OC(=O)COc1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	31.6
COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)CCCCC3)cc1.Cl	3.2
CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl	19.8
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc(C)nc(n1)-c1ccccc1	0.1
Cc1n[nH]c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	7
CC1(C)CC(NC(=O)C2(O)CC2)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl	0.3
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccc1	10
CNCc1cc(Cl)ccc1Oc1ccc(Cl)c(Cl)c1	3.1
Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc12	8.2
FC(F)(F)c1nc(sc1Cl)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N	25.1
CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H](C(=O)[C@]3(C[C@@H]([C@@H]([C@H]2C)O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)C)CO3)C)O[C@H]([C@@H]1O)C	340
O(C)c1cc(ccc1OC)C[NH2+]C[C@@H](O)COc1cc2C=CC(=O)Nc2cc1	0.955
CNC(=O)CCCCO[C@H]1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C(C)C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C	300
CCc1cccc(c1)NC(=O)N1CCc2c(C1)c(nc(n2)c1cnc(nc1)C#N)c1ccccc1C	0.2
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)C1CCCCC1)c1cc(=O)[nH]cn1	1
CC1NCCCc2c(C)c3c(n2c2cc(NC1)c(cc2)C(=O)N)CC(CC3=O)(C)C	3.2
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)C(N)=O)c2cc(ccc12)C(F)(F)F	32
CCCC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1	10
Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1	5.9
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cc(F)cc(c2)C(F)(F)F)C1=O	22
CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(Cl)cc3)n2CCN1C(=O)CN	7.2
Cc1c(CCN2CCN(CCc3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O	3
Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N	500
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2ccc(OC)cc2)CC1	0.1
C[C@@H](N1CCn2nc(nc2C1)-c1ccc(nc1)C#N)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	40
Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1CC(C)C	16
COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1	25
Cc1cc(ccc1-c1ccnc(NCc2n[nH]c3ncccc23)c1)C#N	1.9
ONC(=O)C=Cc1ccc2c(c1)CN(C2)CCc1c[nH]c2c1cccc2	30
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1	85
O=C(NC1CN(C1)C1CC[C@](CC1)(O)c1ccc(cc1)F)CNC(=O)c1cccc(c1)C(F)(F)F	2.8
CCCN(c1cncnc1)P(=O)(c1ccccc1)c1ccccc1	33
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C(F)(F)F	10
N#Cc1cnccc1COc1cnc(N2CCN(c3nnc(C(F)(F)F)o3)CC2)nc1	19.9526
CCN1C[C@H](NS(=O)(=O)C(C)C)[C@H](C1)c1ccc(cc1)-c1ccc(cc1)C#N	0.4
C[n+]1c(cccc1C#CCOc1ccccc1)C#CCOc1ccccc1	14
COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCOCC2)o1	63
COc1cc2c(cc1OC)ncnc2N1CCC(CC1)NS(=O)(=O)N	10
CN(c1nc(c2ccccc2Cl)c2c(n1)N(C(=O)NC2)c1c(Cl)cccc1Cl)C	6
CNC(C)c1ccc(Cl)cc1Oc1ccc(C)cc1	3.69
CC(=O)Nc1ccc2c(c1)[n+](C)c1c3c2cccc3n(c2c1cccc2)C	3.7
CC(C)(C)c1[nH]c2ncccc2c1CCNCc1ccc(C=CC(=O)NO)cc1	30
CCc1oc(CCc2cc(cc(NCC#N)n2)N2CCOCC2)nc1C	4.3
Clc1cc(cc(c1)Cl)CN(C1CC1)C1CNC1	4.71
COC1CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(-c3ccc(F)cc3)n2)CC1	3.2
COc1ccc2nccc([C@H](O)[C@H]3CC4CCN3C[C@@H]4C=C)c2c1	0.3
CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1	2.2
CC(N1C(C(=O)NC(C)(C)CO)c2ccccc2C1=O)c1ccccc1	33
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1nn(nc1C)-c1ccc(C)cc1C	10
OC(=O)[C@H](N1C[C@@H]([C@H](C1)c1cccc(c1)F)CN1CCC(CC1)c1cnc2n1cc(cc2)C(F)(F)F)CC1CCC1	10
CCO/N=C/c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1	9
Nc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3nc(ccc3nc2-c2ccccc2)N2CCN(CCO)CC2)CC1	10
FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl	10
O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)C(=O)C1.O=CO	3.9811
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N	52
OC(=O)[C@H](Cc1cccc(c1)C#N)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	12.5892
CN1CCN(CC1)c1cc2c(cc1OC(C)C)ncc(c2Nc1cccc(c1Cl)Cl)C(=O)N	4.9
CNS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1	63.0957
Fc1ccc(cc1)[C@]1(O)CCN(CC1)[C@@H]([C@H](c1ccc2c(c1)CN(C(=O)N2)C)O)C	3.1
NC1CCC(CC1)CN(C(=O)c1ncn(c1)C)Cc1cccc(c1)Cl	65
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)ncc1F	18
O=C(c1ccccc1C1CCCC1)N(C1CCNC1)CC1CCC1	2.21
CCCOCCn1c2cc(ncc2nc(c1=O)N1CCN(CC1)[C@@H]([C@@H](O)C)C)c1ccc(nc1)OC	0.054
Clc1ccc(cc1)C(=O)C1CCN(CC1)CCc1cccc2c1cccc2	0.071
O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1	1.9953
CO[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O	7.3
Cc1ccccc1CN([C@H]1CCN(C1)S(C)(=O)=O)c1ccc(C#N)c(Cl)c1	2.8
CC(C)C1=NC(C)(N=C1N)c1cccc(c1)-c1cccnc1	33
COc1ccc(cc1)[C@@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	8.9
CCCC[C@@H](CCO)Nc1nc(N)nc2cccc(C)c12	0.6
CNC(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)[C@@]2(CCC3(C2)CCNCC3)C(=O)NO)cc1	65
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1cccc(c1)C(F)(F)F	30
Clc1c(ccc2c1OCCO2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	60
NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1OCC21CC1	2.2
O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2	5
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C(F)(F)F	10
COc1nc2ccc(/C=N/O)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12	3.5
CCCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl	18.6
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C	30
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cnccn1	0
CC1(C)CC(NC(=O)CC(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl	1.46
CCCCN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)nccc2	0.079
CCc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	7.4
C[n+]1c(cccc1C#CC1CCCCC1)C#CC1CCCCC1	4.3
CSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1	20
CCCCC/C=C\C/C=C\CCCCCCCC(=O)N	5
CCCNC(C(=O)Nc1c(C)csc1C(=O)OC)C	224
CSc1ccc(cc1)[C@H]1N=C(OCc2ccc(NS(C)(=O)=O)cc2)N(C)Cc2ccccc12	56
O=C(NC[C@H]1[C@@H]2CN(C(=O)C3CC3c3cc(Cl)cc(Cl)c3)C[C@H]12)c1ccc2[nH]c(=O)oc2c1	4.7
COc1cccc(c1)S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1	30
Cc1nc2ccc(F)cc2n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCS(=O)(=O)CC1)c1cccc(F)c1	10
OC(=O)[C@H](Cc1ccc(F)cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)cc2)CC1	100
Cc1nc(N)ccc1-c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)n(C)c(=O)c12	6.6
COc1ccc(cc1C(F)(F)F)C12CC1CN(CCCSc1nnc(-c3ocnc3C)n1C)C2	1.2589
CN1Cc2ccccc2[C@H](N=C1CCc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1F	38
N#Cc1ccc2c(c1)n(CCN1CC[C@@H]([C@H](C1)O)NCc1ccc3c(n1)NC(=O)CO3)c(=O)cc2	305
CO/N=C(/Cc1c(F)cnc2ccc(OC)nc12)C12CCC(NCc3ccc4c(n3)NC(=O)CO4)(CC1)CO2	2.5
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc12	1.8
CC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O	3.3
Cl.Cl.NC1(c2cc(C(=O)N[C@@H]3CCc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)cc(C(F)(F)F)c2)CCC1	3.1
CN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccn2	6.8
CNC1CCC(CC1)N1CCc2c1cc(cc2)NC(=N)c1cccs1	13
COc1cccc2CCN([C@@H](c3ccccc3)c12)C(=O)CNC[C@@H](C)O	100
Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2cc(=O)n(C)c3ncccc23)c1Cl	33
Clc1ccc(cc1)C1(CCC1)[C@H]([NH+](C)C)CC(C)C	15.8
CCOC(=O)c1nn(-c2ccc(Cl)cc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1	8.4
c1ccc(cc1)CCCN1CCC(CC1)CNc1ncccn1	0.47
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CCS(C)(=O)=O)CC1	9.4
C1CN(CCN1)c2ccc3ccccc3n2	26.3027
Clc1ccc(cc1Cl)[C@@]12CNC[C@@H]1CCCC2	6.48
Cc1nc2cn(Cc3ccccc3)cc2c(c1CN)-c1ccc(Cl)cc1Cl	14
CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2ncn(Cc3ccnc4ccccc34)c(=O)c12	4.2
CO[C@@H](c1ccc2c(c1C)COC2=O)CN1CCN(CC1)C(=O)Cc1ccc(nc1)n1cnnn1	100
O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCOC1)c1ccccc1	11
CC(N1CCC(CC1)n1c(C)nnc1C(C)C)CC(c1ccccc1)NC(=O)C1CCC(CC1)(F)F	10
OCCN1CCC(CC1)N(C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1	12.7
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C	416.8694
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CC1	2.6
NC(=O)N1CCc2c(C1)sc(n2)c1ccc(cc1)OC1CC(C1)N1CCCCC1	30
CC(O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	100
Cc1[nH]c2ccccc2c1CCN1CCCC1c1ccc(\C=C\C(=O)NO)cc1	19.4
Clc1ccc(cc1)c1cc2[C@@H](NC(=O)c3n[nH]c4c3cccc4)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	4.6
Cc1cccc(-c2cc3c(N[C@@H]4CC[C@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)c1	7.7
Cc1c(ccc2nonc12)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1	10
CCCCNc1nc(N)nc2c1CN(C(=O)c1csc(C)n1)CC2	1.3
COc1ccc2c(c1)c(ccn2)C(CN1CCC(CC1)NCc1ccc2c(c1)OCCO2)O	39.8
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2C1CCCCC1	9.5
O=C(N1CCC2(CC1)C(=O)Nc1c2cccn1)N[C@@H]1CC[C@H](Cn2c1ncc2C1(CC1)C(F)(F)F)c1cccc(c1F)F	1.2
CC1NCCN(C1)Cc1cccc(c1)c1cc(CNC(=O)c2cccc(c2)CC2CCNCC2)ccc1F	10
C[C@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C[C@@H](C(=O)N3CCCC3)[C@@H]12	80
CN(c1ccc(-c2ccc(-n3cccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1	0.3
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	7.9
CCOC(=O)c1sc2nc(\C=C\c3ccc(c(OC)c3)-n3cnc(C)c3)nc(N)c2c1C	0.98
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccc(F)cn1	0.2
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2F)C(F)(F)F)n1C	0.7
COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)CN(CC2CCOCC2)CC4(F)F)cc1	9.2
Cn1nccc1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCN1CCOCC1	4.1
CC1(C)CC(NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl	0.08
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	40
COc1ccc(cc1)C[C@H]1N(C)CCc2c1cc(Oc1cc(ccc1O)C[C@H]1N(C)CCc3c1cc(OC)c(c3)OC)c(c2)OC	7.419
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnc(C)o2)c2ccccc2)C(C)(C)C1	10
C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(C#N)cn3)cs2)CO1	12.1
CCCCN(C/C=C\Cc1ccc(cc1)Cl)CC	1.13
COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCOCC1	7.7
CCCCN(CC)C/C=C/Cc1ccc(Cl)cc1	1.127
CC(C)(C)OC(=O)N1CCC(CC1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O	14
Clc1cc(c2OCCc2c1N)C(=O)NC1CC[NH+](CC1)CCCOC	4.1
CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1	10
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)o3	10
C[C@H]1CCCN1CCCOc1ccc(cc1)-n1c(C)nc2ccccc2c1=O	6
C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCc3ccncc3)cc2)cc1	8.1111
OC(=O)[C@H](Cc1ccccc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	15.8
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CC(C2)N2CCS(=O)(=O)CC2)c1	31.6
Clc1cc(C(=O)NCCc2ccc(S(=O)([O-])=NC(=O)NC3CCCCC3)cc2)c(OC)cc1	74.13
CS(=O)(=O)Nc(cc1)ccc1[C@H](O)CCC[N@H+](CC)CCCCCCC	0.01
CCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	6.49
Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCN3CCN(c4ccccc4)CC3)c2)s1	0.2818
CN1CCc2c(sc3c2c2ncnn2c(=O)n3Cc2ccc(Cl)cc2)C1	0.069
Cn1cnc(-c2cnc(N)c(O[C@@H]3CN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C[C@H]3F)c2)c1	15
CN(C)C(=O)Oc1ccc[n+](C)c1	13.1826
NC1=NC(c2cccc(F)c12)(c1ccnc(c1)C1CC1)c1cccc(c1)-c1cncnc1	3.5
CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C	278
CC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O	25.1189
Clc1cncc(-c2ccc3cnccc3c2)c1N1CCC2(CCNC2=O)CC1	10
CCc1cc(COc2cc(C(=O)N3CCC[C@@H](N)C3)nn2-c2ccc(C#N)cc2)on1	5
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1	10
COc1ccc(cc1OC)C1CCN(CCN2CCOc3ccccc23)CC1	0.2512
O[C@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1	3.207
CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1	4
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CC(=O)N[C@@H](C)CO)CCc2c1C	10
COC[C@H](N)CNc1cnc(C(N)=O)c(Nc2cc(C)cc(C)n2)c1	1.6
NC(=O)c1cnc2[nH]ccc2c1N[C@H]1CCN(C[C@H]1F)c1ccc(cn1)C#N	100
Brc1ccc(Nc2ccc(CN3CCC4(CC3)OCCc3sccc34)cc2)cc1	7.9
CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(Oc3ccccc3)cc2)cc1	2.11
CC(C)N1CCN(CC1)C(=O)N1CCc2ccccc2C1	115
Cc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12	6.6
O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccccc1	0.17
Cn1c(SCCCN2CC3CCN(c4ccccc4C#N)C3C2)nnc1-c1cnccn1	0.1995
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1NC(=O)OC	4.7
COc1cc(ccc1Nc1ncc(c(n1)c1cnc2n1cccc2)Cl)N1CCN(CC1)C(=O)C(N)C	9.4
Cc1ccc(cc1C)Cn1c(nc2c1cccc2)[C@H]1CNCCO1	3.4
CCCCCCCN(CC)C/C=C/c1ccc(Cl)cc1	0.243
CC(C)(N)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1	10
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C(CO)CO	33
CC(C)(C)c1ccc2[nH]c(C(C)(C)N)nc2c1	41
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)n[nH]c1C	40
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CC(=O)N(C)c1cccc(Cl)c1	0
N[C@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCC2C1CCC2	40
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)n3ccccc3=O)c2c1	34
CC(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	49.1
Cc1ccc(cn1)c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)CC1CCCO1	4.3
FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1ncon1	1.2
CNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O	4000
Cc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(C(C)C)n1.Cl	5.4
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCc4cccc(I)c4)ncnc23	15.4882
CC(C)(O)c1nc2cc(Cl)ccc2n1[C@H]1CC[C@@H](NCC2Cc3ccc(Cl)cc3C2)CC1	0.42
Cc1ncccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	6.3096
O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)CN2c3c1c(F)cnc3CCC2=O	60
FC1CN(C1)C(=O)[C@H]1NC[C@H](C1)N1CCN(CC1)c1ncccn1	100
N[C@@H](Cc1c[nH]c2c1cccc2)COc1cc(c2cnc3c(n2)[nH]nc3C)c(nc1N)c1ccoc1C	10.4
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@H](CC1)c1ccc2OCOc2c1	2.8
CCCCCCCN(CC)C/C=C\Cc1ccccc1	0.176
CCOc1cc(CN2CCC(c3ncc(-c4ccc(F)cc4)[nH]3)CC2)cc(OCC)c1-c1ccc(F)cc1	0.26
COc1ncnc(c1)N1C(=O)N(C(=O)C21CCN(CC2)Cc1ncccc1C)c1ccc(cc1)c1ccc(o1)C(=O)O	60
O=C(N[C@@H]1CN(C1)[C@@H]1CC[C@H](CC1)c1ccc2c(c1)OCO2)CNC(=O)c1cccc(c1)C(F)(F)F	1
COc1nc(OC)ccc1c1nc2c(n1C(C(=O)NC1CCC(CC1)C(=O)O)C1CCCCC1)cc(c(c2)F)F	10
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(NC(C)=O)cc1	4.5
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)c1ncn(c1)C	30
CN1C2CCC1CC(C2)Nc1nc2c(c(n1)c1ccccc1Cl)CNC(=O)N2c1c(Cl)cccc1Cl	8.9
Fc1ccc(cc1)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C	2
C[C@@H](NC(=O)Cc1ccc(cc1)-c1cnn2ncccc12)c1ccc(OCC(F)(F)F)cn1	30
OC(C(Cc1ccccc1)N1CCOCC1)(c1cccnc1)c1cccnc1	15
Cc1cccc(c1)N1CCN(CC1)CCCCNC(=O)c1cc2c(o1)cccc2	0.93
Cn1cc(nn1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1	30
Cc1nn(C)c(C)c1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1	10.8
Cn1c(SCCCN2CC[C@]3([C@@H](C2)C3)c2ccc(cc2)C(F)(F)F)nnc1c1ocnc1C	0.79
CNCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1	0.974
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccncc1	0
CN(C)S(=O)(=O)c1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1	1.9953
c1ccc(nc1)C#Cc1ccc2ccccc2n1	20.3
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cccc(n1)C(F)(F)F)c1ccc(cn1)-c1ncccn1	10
COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2cccnc2)cc1	10
N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3[nH]ccc23)n1	3.7
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cn2ccnc2)c2ccccc2)c1	31.6
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1ccc(F)cc1	13
CC[N+]1(C)CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1.[I-]	3.38
Cc1cc2nc(CC3CCCCC3)n(Cc3ccc(Cl)cc3)c2cc1C	10
CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1	13.2
CC(C)OC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(C#N)cn1	50.1187
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CCO)CC1	3.7
COc1ncc(nc1)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)OCC(F)(F)F	31.6
Nc1ccnc(c1)N1CCC2(CC1)CC(c1c2cccc1)C(=O)N(C)C	1.42
CNc1nc(NCCCN(C)C)c2sc(-c3ccc(N4CCOCC4)cc3)cc2n1	1.8
CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN4CCOCC4)c2c1	23.4423
Cc1cc([nH]n1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1	1
Cc1nsc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)n1	4.2
C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ccsc2)CO1	39.9
Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1	2.4
O(C(c1ccccc1)c1ccccc1)CC[NH+](C)C	27
Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(c2cnc(S(C)(=O)=O)cn2)C3)ccc2c1COC2=O	27.8
CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1	100
[O-][N+](=O)c1cn2C[C@@H](COc2n1)OCc1ccc(OC(F)(F)F)cc1	30
Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C	1.9953
CCCC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C	0.36
COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1	3.9
CN(CCN1CCN(CC1)c1nc(c2ccc(cc2Cl)Cl)c2c(n1)N(C(=O)NC2)c1c(Cl)cccc1Cl)C	2.3
CC(C)OC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1	2.75
Cn1c(OCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccccc1	0.2
Clc1ccc(cc1)[C@@](OCC[C@@H]1[NH+](CCC1)C)(C)c1ccccc1	0.012
Clc1cc(Cl)cc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O	1.58
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCN2CCCCC2)cc1	26
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NCc2nc3ccccc3[nH]2)c1	14.7
Fc1ccc(CCN2CCN([C@H]3CCc4cc(CN5CCS(=O)(=O)CC5)ccc4C3)C(=O)C2)cc1	24
CC#Cc1cncc(c1)-c1cccc(c1)C1(N=C(N)c2c1cccc2F)c1ccnc(c1)C(F)F	2.9
COCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1	9.369
Clc1cccc(c1)N1CCN(CCN2C[C@H]3CC[C@H](CC3)C2)C1=O	0.3981
COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1	17.378
O[C@@]1(CC23CCC(CC2)(CO3)NCc2nc3NC(=O)COc3cc2F)Cn2c3c1c(F)cnc3ccc2=O	196.5
COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1	27
O[C@@H](CN1CC2OC(C1)CN(C2)CCNC(=O)OC(C)(C)C)COc1ccc(cc1)C#N	0.6
Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1	7.9
Fc1ccc(F)cc1C=1CN(C(=O)[C@H](N)C2CC2)[C@@H](C=1)c1ccccc1	3.5
CN1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)CC1	0.31
FCC[C@@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1	2.62
[NH2+]1C[C@H](CCC1)c1c2c([nH]c1-c1ccccc1)cccc2	4.9
OC(=O)C1CCC(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)C1	209
N#Cc1ccc(cn1)c1ccc2c(c1)OC[C@H]1N2C(=O)O[C@H]1CNC(=O)C	2.78
NC1CN(CCC1c1cc(F)c(cc1F)F)c1ccc2n(n1)nc(n2)C(F)(F)F	8.1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCOCC2)cc1	25
O=C(OCc1ccccc1)NCc1ccc(cc1)C(=O)Nc1ccccc1N	30
O=C1NC(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2	1
COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1	5
N[C@@H](Cc1c[nH]c2c1cccc2)COc1cnc(c(c1)c1cnc2c(n1)[nH]nc2C)c1ccoc1C	1.4
COc1ccc(cc1F)CN1CCC(CC1)NC(=O)C1=CC(=O)c2c(C1)cc(cc2)F	8.5
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F	0.2
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1CCOCC1	2.9512
CCNC(=O)Nc1cccc(CNc2cc(C(F)(F)F)cc3ncc(N4CCN(C)CC4)cc23)c1	81.7
CC(C)(CN1CCC(CC1)=C1c2ccc(F)cc2COc2ccccc12)C(O)=O	10
OCC1(ON=C2N1CCC/C/2=C\c1ccc(c(c1)OC)n1cnc(c1)C)c1ccc(cc1)F	3.3
Fc1ccc(cc1F)-n1cc(NCCN2CCC(F)(F)CC2)nn1	10
Cl.N[C@H](C(=O)N1CC[C@H](F)C1)C1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1	49
COCC(O)CN(Cc1ccc(F)cc1)C(=O)CC1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)CC1	1.09
CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C)CC1	8
O=C(c1ccc(cc1)S(=O)(=O)N)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	25
Cc1onc(c1CC(=O)NCc1ccc(OCC(F)(F)F)nc1)-c1c(Cl)cccc1Cl	26.3
O[C@@H]1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cn1	80
Cc1ccc(NC(=O)c2ccc3c(c2)CC(c2ccc(Cl)cc2)OC3=O)cc1C	6.77
O=C(Cc1ccc(-n2cnnn2)cc1)N1CCN(CCc2ccc3c(c2)COC3)CC1	2.5
Cc1nc(Oc2ccc(C(N)=O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1	18
CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCC(F)CC2)cc1	10
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1	1.9953
CNCC(CN1c2ccccc2Sc2c1cc(C#N)cc2)C	0.7
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2cccc(c2)C#N)c(c1)C(F)(F)F	30
CNC(=O)c1cnc(Nc2cc(C)ccn2)cc1Nc1ccccc1S(C)(=O)=O	16
COc1ccccc1N1CCN(CCCC(C(=O)O)(c2ccc(Br)cc2)C(C)C)CC1	3.96
COc1ccc(cn1)[C@]1(O)CCC(CC1)N1CC(C1)NC(=O)CNc1n[nH]c2c1cc(cc2)C(F)(F)F	32
Nc1cnc(cn1)COc1ccc(cc1)C1(CCCO1)c1ccc(nc1)C(=O)NCC(O)(C)C	32
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3C(F)(F)F)C2)n1C	0.8912
CCCCC1CN(CC2CCOCC2)C(=O)OC21CCN(CC2)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C	11.9
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1ccsc1	63
CC(CN1CCC(Cc2ccccc2)CC1)C(O)c3ccc(O)cc3	0.4677
CC(C)N1CCN(CCN2CCN(C2=O)c2ccc(F)c(c2)C#N)CC1	15.8
O=C(C1NCc2c(C1)cccc2)NC1CCC(CC1)c1ccc(cc1)O	30
C1CCCCC1C(C2CCCCC2)C[C@H]3CCCC[NH2+]3	7.7625
Cc1ccc(CN2CC[C@@H](N3CCC(c4ccc(O)cc4)CC3)C2=O)cc1	0.4
CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc2ncnn2c1	90
O=c1cc(cn[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1	2
Cc1cc(F)ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1	100
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CC(=O)Nc1cccc(Cl)c1	0.05
Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CS(C)(=O)=O)cnc2C(N)=O)c1	60
Cc1cn2ccc(cc2n1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1	10
Clc1cccc(c1)N1CCN(C1=O)CCN1CC2CCC(C1)(C2(C)C)C	1.26
O=C(C1CC1c1ccc(cc1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)c1cc[nH]n1	0.5
C[C@@H](c1ccc(-c2cccc(-c3noc(O)n3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1.O=C(O)C(F)(F)F	28
Fc1ccc(CC(c2cccnc2)c2cccnc2)c(-c2cccc(C(F)(F)F)c2)c1	2.23
Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1	160
Cc1ccc(OCc2cccc(COc3ccc(C)cc3)[n+]2C)cc1	0.053
COc1ccccc1C[C@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)C(O)=O	10
CN1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1	0.1
CC(C)(O)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	7
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)N=S(C)(C)=O)cn1)c1nc(no1)C(F)(F)F	30
CC(C)(C)c1cc(NC(=O)n2ccc3nc(Oc4ncnc5c4CNC5)ccc32)no1	26
CS(=O)(=O)C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3	32.3594
CC(=O)N1CCN2C(C1)CNc1cc(n3c(CCC2)c(C)c2c3CC(CC2=O)(C)C)ccc1C(=O)N	24.4
O(C)c1c(OC)cc(cc1OC)C(OC[C@@]([NH+](C)C)(CC)c1ccccc1)=O	89.12
CCN(CCO)C(=O)c1cc2cccnn2c1-c1cccc(c1)C(F)(F)F	23.4
CO[C@H]1CN(CCn2c3cc(OC)cnc3ccc2=O)CC[C@H]1NCc1cnc(C)c(c1)C#N	151
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc2cn[nH]c2c1	0.7
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NS(C)(=O)=O)nc2cc1Cl	10
N#Cc1ccc(CCN2CCN(CCc3ccc(cc3)C#N)CC2)cc1	0
CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C(=O)C)Nc1cccc(c1Cl)Cl)C(=O)N	8.2
OC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1	100
CNCc1cccc(c1)c1ccc2c(n1)nc(nc2N1CCOCC1)N1C[C@H](C)O[C@H](C1)C	17.4
F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1	168
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)c1nc(no1)C(F)(F)F	3.6
CCOc1cc2ncc(c(c2cc1N1CCN(CC1)CCO)Nc1cccc(c1Cl)Cl)C(=O)N	8.1
O=C1OC2(CN1c1cccnc1)CCC(CC2)c1nc2c([nH]1)cc(cc2)OC(F)(F)F	7.9
N=C(N)N/N=C/c1ccc(-c2cccc(/C=N/NC(=N)N)c2)cc1	4.66
CN(CCN1CCN(CC1)c1nc(c2ccccc2Cl)c2c(n1)N(C(=O)NC2)c1c(Cl)cccc1Cl)C	3.8
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(F)cc1	38
O=c1cc(-c2ccccc2)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1	0.82
CCNS(=O)(=O)c1cc(c(cc1F)Cl)C(=O)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1cccc(c1)F	50
CNCCC(c1c[nH]c2ccccc12)c1ccccc1	1
O=C(NC1CN(C1)C1CCC(CC1)c1ncccc1N)CNc1ncnc2c1cc(cc2)C(F)(F)F	8.3
CNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c(OC)c1	9.5
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccnc1	31.6
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4)nn3c(N)nc12	16.9
Fc1ccc(cc1)N(CCNC(=O)CCc1ccccc1)c1ccc(F)cc1	0.192
CN(CCc1ccc(cc1)N)CCOc1ccc(cc1C(=O)N)C	2.59
Oc1ccc2CC3N(CC=C)CC[C@@]45C(Oc1c24)C(=O)CC[C@@]35O	22.3872
Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)s1	0.2
Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)s1	0
FC(F)(F)c1cc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)ccc1Cl	6.3
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccc(C)s1)C#N	12.6
O=C(C(n1c(nc2c1cc(F)c(c2)F)c1ccc(cc1)Cl)C1CCCCC1)Nc1ccc(cc1Cl)C(=O)O	7.8
CCOc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	0
CCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2	0.8
O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2cnccc2[nH]c1=O	50
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)c1cc(ccc1F)S(=O)(=O)N	42
COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12	6.8
CCc1nnc(o1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1	4.3
CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4n(C(N)=O)c5ccccc5c4c3)CC2)c2ccccc12	2
Fc1ccc(cc1)C1CCN(CC1)C1CCC(C1)(C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(O)(C)C	0.054
COCc1ccc(-c2cc3c(N[C@@H](C)c4nn(C)cc4C)c(C(N)=O)cnc3cc2F)cn1	17
CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N	100
Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1F	10
COCCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1ccc(cc1F)C)C(=O)N	30
COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F	10
CCNCc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1.Cl.Cl	5.6
N#Cc1ccc(OCC2(O)CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)cc1F	9.67
O=C1NC[C@H](C12CCN(CC2)[C@H]1CCCC[C@@H]1c1ccccc1)c1ccccc1	1.4
CCN(CCN1CCOCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2	10
Cc1c2C(=O)N(Cc3ccccc3-c3ccc(F)cc3)C(C(=O)NC(C)(C)C)c2ccc1O	32
COc1cc2c(cc1OC)ncnc2N1CCC(CC1)CNS(=O)(=O)N	10
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	0.1905
CCCOc1ccccc1CC(N1CCNCC1)c1ccccc1	5.8
Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncnn12	2.5
CN1Cc2ccccc2[C@H](c2ccccc2)N=C1OCc1ccc(NS(C)(=O)=O)cc1.O=C(O)/C=C/C(=O)O	29
CN(CC1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1	0
Cc1nc(C(=O)O)ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	10
CCc1nc2c(Cc3ccc(C(=O)NO)cc3)cccc2c(=O)n1CCc1ccccc1	4.7
CCNC(=O)N[C@@H](Cc1ccc(c(c1)Cl)Cl)CCN1CC[C@H](CC1)c1c(CC)n(c2c1ccc(c2)F)c1ccc(cn1)C(=O)OC	0.1
CC(C)(C)NC(=O)NCCN1CCCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1	4.1
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCCC2)cc1	10
CO[C@H]1C[C@@H](n2c(=O)n(C)c3cnc4cc(F)c(-c5ccc(NC(=O)CCCN(C)C)nc5)cc4c32)C1	18
C[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cnccn1	10
Clc1ccc(cc1)C(NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)CCNS(=O)(=O)C	80
O=C(N1CCN(CC1)c1ccc(cc1)OC(F)(F)F)OC1COc2n(C1)cc(n2)[N+](=O)[O-]	10
OC(=O)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1	11
C[C@H]1CCc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Br)cc21	30
COc1cccc2c1OC(c1ccc(OCCCN3CCCC3)cc1)C(C)S2(=O)=O	7
O=c1ccc2ncc(F)c3c2n1C[C@@]3(F)CN1CCC(NCc2cc3c(cn2)OCCO3)CC1	16
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(C)cc1	10
O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c45	7.4131
Fc1cccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c12	6.3
CCCCN(CC)CC#CCc1ccccc1	7.82
CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1	2
COc1cc(-c2cn(C3CCc4ccccc4N(C)C3=O)nn2)ccc1-n1cnc(C)c1	4.06
Cc1ccc(Cc2cc3c(=O)n([C@H]4CCCC[C@@H]4O)cnc3c3ccccc23)cn1	60
NC(=O)c1ccc(OCCC(O)N2CCC(=CC2)c3ccc(F)cc3)cc1	0.5754
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1ncon1	30
COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@@H](O)C3)c2c1	15
CCOc1cc2ncc(c(c2cc1N1CCCN(CC1)C)Nc1cccc(c1Cl)Cl)C(=O)N	4
Oc1cnccc1[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	23
CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2cncnc2)c1	5
CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1	7
COc1ccc(nc1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	25
C1CC(CCO1)[C@@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	0.7
Clc1cc(ccc1)C(=O)N1CC[C@@H]([NH2+]Cc2n(cnc2)Cc2ccc(cc2)C#N)C1=O	5.8
COc1cc(\C=C2/CCCN3[C@H](CON=C23)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1	1
O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl	0.38
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1	31.6
O=C(O)CC1CCOC2(CCN(c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)CC2)C1	6.6
Cc1ccc(/C=C/C(=O)N2CCN(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cc1	27.1
O=c1ccc(n[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1	8
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)F)c1	6.9
NS(=O)(=O)c1ccc(Oc2ccc3ccc(=O)n(CCN4CCC(CC4)NCc4ccc5OCC(=O)Nc5n4)c3n2)cc1	100
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)C(C(=O)O)(C)C	56
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)c2c[nH]c(=O)c(Cl)c2)c1	19.6
Cc1ncccc1-c1nc2cn(-c3ccccc3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1	12
o1c(ccc1C)-c1nc(NC(=O)CN2CCCN(CC2)C)cc(n1)-n1nccc1C	0.28
COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F	30
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5cc(F)cc(F)c5)C4)C[C@@H]3C(=O)O)c2c1	7.18
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1	9.6
CN1Cc2ccccc2[C@H](N=C1OCc1ccc(NS(C)(=O)=O)cc1)c1ccccc1	38
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4nsnc4Cl)nn3c(N)nc12	24
CC(C)Oc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O	3.98
Cn1nc(oc1=O)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cn[nH]c1	21.5
CC(C)(C)c1ccc(CNC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1	1.8
Nc1ncc(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCOCC1	3
CS(=O)(=O)c1ccc(cc1)-c1cnn2ccc(nc12)-c1cccc(c1)S(=O)(=O)C1CC1	0.5
OC(C(N1CCC1)c1ccccc1)(c1cccnc1)c1cccnc1	15
O=C(O)C[C@H](CN1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1)c1cccc(O[C@H]2CCOC2)c1	31.6228
CCOc1cc(C)c2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0
O=c1ccc2ncc(F)c3c2n1C[C@H]3CN1CCC(NCc2cc3c(cn2)OCCO3)CC1	122
OC(c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F)C(F)(F)F	0.06
OCCONC(=O)c1ncc2cncn2c1Nc1ccc(I)cc1F	3.3
CN(C)c1ccc(\C=C\c2c(F)cccc2F)cn1	22
Clc1cc2N(c3c(Sc2cc1)cccc3)CCC[NH+]1CC[NH+](CC1)C	22.6
CC(C)c1cc(C(=O)NC[C@H]2CCN(CCc3ccc(Cl)c(F)c3)C2)on1	1.52
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C	10
C[C@@H]1c2n[nH]cc2CN1C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1	3.1623
FC(F)Oc1cc(ccc1OC(F)F)[C@H](C=1C=C[C@@H](NC=1)[C@@](O)(C)c1ccccc1)c1cc[n+](O)cc1	1.18
Fc1cnc2ccc(OC3CCC3)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1	0.5
N#C[C@@H]1CCCN1C(=O)[C@@H]1CN(C[C@@H]1N)Cc1cc(CC)c(c(c1)CC)C#N	300
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccccn1	18
Cl.N=C(N)N/N=C/c1ccc(-c2ccc(/C=N/Nc3ccc(F)cc3)cc2)cc1	3.29
COc1ccc(cc1)C1=CCN(CC1)CCNCc1onc(c1)C(C)C	0.78
Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1	11.2
COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2c1	1.3
O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2c1nnco1	55
COc1ccc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0.95
Cl.O=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCC(c2ccccc2)CC1	3.46
FC1CN(CCC1N(C(=O)Cc1ccc(cc1)n1cnnn1)C)Cc1ccc(cc1)C(F)(F)F	2.8
Clc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	3.6
CC(C)COc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1	1.9
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(Cc2ccccc2)C1=O)[Si](C)(C)C	40.8
C1CN2CCC1C(C2)c1nnc(o1)-c1ccc(o1)-c1cccnc1	20.2
Clc1ccc(cc1)C(NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)CCCN1CCCCC1	33.3
NCC1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3	1.8
C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1noc(n1)-c1cccc(Cl)c1	11.6
Cc1nc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)cc(C(C)(C)C)n1.Cl	5.9
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@](F)(CC1)c1ccccc1	3.3
S1[C@H](NC=C1[C@@H](c1cc(OC(C)C)c(OC(F)F)cc1)c1ccc[n+]([O-])c1)C(O)(C(F)(F)F)C(F)(F)F	38.1
O(C(=O)c1ccccc1)[C@@H]1C[C@H]2[NH+]([C@H](CC2)[C@H]1C(OC)=O)C	7.2
Fc1ccc(C(=O)C2CCN(CCCOc3ccc(cc3)-c3nc4ccccc4o3)CC2)c(F)c1	0.8
Fc1cc2onc(c2cc1)C1CC[NH+](CC1)CC[C@@H]1C(=NC2=[N+](CCCC2)C1=O)C	0.163
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CC[C@@H](O)C1)N1CCOC[C@@H]1C	8
CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl	0.38
COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N	0
CCOC(=O)c1cccc(n1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1	0.7
COc1c(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)ccc2c1COC2=O	40
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(N)cc3)CC2)c2ccccc21.Cl.Cl	22.6
COc1cc(CC(=O)N2CCN(CCc3ccc4c(c3)COC4=O)CC2)ccc1-n1cnnn1	8.2
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)NC(c3ccccc3)c3ccccn3)CC2)c1	2.3
O=C(C1CC1c1ccc(cc1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(O)(C)C	1.2
COc1cc(ccn1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	6.2
Fc1cccc(c1)C1(CCN(CC1)C(=O)c1cc(c(cc1Cl)F)S(=O)(=O)NC1CCCC1)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2	31
CCOC(=O)[C@H]1[C@H]2CN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)C[C@H]21	12
OC(=O)CCNC1CCC2(C1)Cc1ccccc1Cc1c2cccc1	63
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C	20.2
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1	90
CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N	30
COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1	30
OC(=O)CCN(C1CCC2(C1)Cc1ccccc1Cc1c2cccc1)C	63
CN(C(=O)c1ccc(cc1)c1ccc(cc1)[C@H]1CC(=NN1c1ccc(cc1)C#N)F)CCN(C)C	0.17
O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCN(CC2)c2cc3ccccc3cn2)c2ccccn2c1=O	2
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1=O	10
CC1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C(F)(F)F)(O)C)CC1(CC1)C(=O)N	100
COc1ccc2c(nc(C#N)c(-c3cccc(F)c3)c2c1)-n1cnc(C)c1	21
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)C(=O)N(C)C	11
CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H](N)C(F)=C2CCCC2)c(Cl)c1	7.1
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(Cl)cc4Cl)C3C2)n1C	1.2589
COc1ccc2ncc(Cl)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0.3
Cl.Cl.FCCOc1ccccc1CCN1CCN(CCc2ccc(F)cc2)CC1	1.12
C[C@@H](N(C)c1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C	19
O=C(NC1CN(C1)C1CCC(CC1)(O)c1nccs1)CNc1ncnc2c1cc(cc2)C(F)(F)F	50
NCC[C@@H](Oc1cc(Cl)c(F)cc1C#N)c1ccccc1	10
COc1cccc(c1)[C@]1(O)CCN(CC1)[C@@H]([C@H](c1ccc2c(c1)CCC(=O)N2)O)C	11
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2CCOCc2s1	100
COC(=O)N[C@@H](C(C)(C)C)C(=O)NN(Cc1ccc(cc1)c1ccccn1)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	5.7
CN(C)CC\C=C\1/c2ccccc2Sc3ccc(Cl)cc13	4.4668
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC2CCC2)cc1C1CCNCC1	3.02
OCC1CN(CCC1c1ccccc1C)C[C@@H]1CCc2c([C@H](C1)O)nccc2	20
Clc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccccc1Cl	2.6
Cc1c(ccc2nonc12)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1	10
CN(C)CC\C=C/1\c2ccccc2Sc3ccc(Cl)cc13	2.9512
CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1	8.1
CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1c(C)nnc1C	0.8
CC(C)CN1CCC(c2ccccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1	6
COc1ccc(cc1)C1CN(CC1CNC(=O)c1cccc(c1)Cl)CCCC1CCOCC1	1.03
O[C@H]1N2[C@@H]3[C@@H]4[C@H](C[C@H]2[C@@H]2N(c5c([C@@]2(C3)[C@@H]4O)cccc5)C)[C@@H]1CC	1.04
CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O	41.7
Cc1c(CCN2CCN(CC(O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O	5.2
Clc1cc2c(n(cc2C2CC[NH+](CC2)CCN2CCNC2=O)-c2ccc(cc2)CCO)cc1	579
Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ncon4)CC3)c(Cl)cnc2[nH]1	11
COCCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1ccc(cc1F)F)C(=O)N	30
CC1(C(=O)N2CC(c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)C2)COC1	0.4
CC(C)n1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1	3
COc1ccc2ncc(F)c([C@@H](O)[C@H](O)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	60
CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@H]2CCCOC2)c(=O)n4C)cn1	27
Cc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(C(N)=O)cnn2c1	4.9
Cc1cc(C)n(-c2cccc([C@H](CC(=O)O)CN3CC[C@@H](CCc4ccc5c(n4)NCCC5)C3)c2)n1	31.6228
COc1cc(C(=O)N2C[C@@H](n3cc(C4CC4)nn3)C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2)ccc1CN	22
COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@H](O)C3)c2c1	172
CS(=O)(=O)Nc1cccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)c1	1.9
O=C1CCc2c(N1)ccc(c2)[C@@H]([C@H](N1CC[C@](CC1)(O)c1cccc(c1)F)C)O	10
NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1	1.1
Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C	0.7943
F[C@@H]1CC[NH2+]C[C@@H]1c1c2c([nH]c1-c1ccccc1)cccc2	1.1
Fc1cnc2c3c1C(O)(Cn3c(=O)cc2)CC12CCC(CC1)(CO2)NCc1ccc2c(c1)OCCO2	16.5
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(C#N)ccc3nc2OC)c2cccc(OC)c2F)cc(OC(F)F)n1	5.3
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccccc1	0.79
CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1	100
C[C@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2=O)cc1.O=CO	25.1189
O=C(Cc1ccc(-n2cnnn2)cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	0.16
CO[C@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@H]1NCc1cc2OCCOc2cn1	75
Nc1nc2cc3CCN(Cc4ccccn4)CCc3cc2s1	13
Fc1cnc2ccc(=O)n(CCN3CCN(CC3)c3nc4cc(ccc4[nH]3)C(F)(F)F)c2c1	1
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3ccc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1	5.351
O=C(N(CC1CCC1)[C@H]1CCNC1)c1ccccc1C1CCCC1	2.2
CNCc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1	5.57
Fc1cncc(Oc2cnc3ccc(=O)n(CCN4CCC(CC4)NCc4ccc5OCC(=O)Nc5n4)c3c2)c1	79
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1	2.4547
Fc1cccc(c1/C=C/NC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O)F	0.032
CN(C)C(=O)c1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)cc1	12
COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1	10.9
CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1	8.5
Cn1c(=O)n([C@H]2CCCOC2)c2c3cc(-c4ccc(OCCCN5CCCCC5)nc4)c(F)cc3ncc21	18
COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1	20
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1cncs1	50
OC(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1	0.5
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N2C(=O)CC[C@H]2CN2CCN(C)CC2)cc1)c1ccccc1	0.0009
Fc1cc2c([N+](=C[C@@H](C(=O)[O-])C2=O)C2CC2)c(OC)c1N1C[C@@H]2[C@@H]([NH2+]CCC2)C1	128.82
Fc1ccc2c(c1)onc2C1CCN(CC1)CCNS(=O)(=O)c1cccc2c1cccc2	20
COc1ccc2ncc(C(F)F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	1.75
OC(=O)COc1ccc(cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	10
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12	2.5
O=C(N1CCC(CC1)CNc1ccccn1)OCc1ccccc1	2.9
C=CCN(C(=O)[C@]1(C[C@H]1CN)c1cccs1)CC	10
CCOc1cc(CN2CCC(CC2)Nc2nc3ccc(cc3o2)C(O)=O)ccc1Cl	10
CN(c1ccc(-c2cc3cnccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1	14
OC(=O)Cc1ccc(cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	31.6
COc1ccccc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(C(N)=O)cnn2c1	7.5
Fc1ccc(F)cc1C=1CN(C(=O)[C@H](NC(OCCO)=O)C(C)(C)C)[C@H](C=1)c1ccccc1	25
Nc1nc(N2CCC(N3Cc4cc(Cl)cc(Cl)c4OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n[nH]1	6
O=C(NC1CCN(C1)CCN1CCN(CC1)C(=O)c1ccccc1F)CNC(=O)c1cccc(c1)C(F)(F)F	10
COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(F)(F)F	50
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1	30
Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1	2.55
CNCc1cc(C)c(C)cc1Oc1ccc(Cl)c(Cl)c1	1.48
Cc1ccc(-c2cc3nc[nH]c(=O)c3c(NC[C@H]3CCCNC3)n2)cc1	7.9433
FC(F)(F)Oc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O	0.6
OC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N	6.1
OCCOc1ccc2c(c1)c(ccn2)[C@@H]([C@H]1CC2CCN1CC2C=C)O	27.3
CCN(C(=O)Cc1ccc(cc1)OC)C1CC2CCC(C1)N2CCC(c1ccccc1)NC(=O)C1CCC1	0.248
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccccc1	0
C[C@]1(CS(=O)(=O)N2CCN(c3ncc(OCc4ccc(C(F)(F)F)o4)cn3)CC2)NC(=O)NC1=O	44
CC(C)Oc1cc(C(C2=CCC(=O)N=C2)c2ccc(C(C)(C)O)nc2)ccc1OC(F)F	56.2341
C[C@]12CC[C@H](C(F)F)C[C@H]1C[C@@H](N1CCC[C@@H](N)C1)[C@@H]2Oc1ccc(C#N)cc1	15
Cc1ccc(cc1)CCCCC1CCC(CC1)C(c1ccccc1)(c1ccccc1)O	100
COc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1	8.2
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(Cl)cnc3ccc2=O	53
FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1	0.81
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)c1cccnc1	30
N[C@H]1Cn2c(nc3ncccc32)C[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	90
C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCNC1=O	33
CCOC(=O)C1=C(CN2CCOCC2)NC(c2ncc(OC)s2)=NC1c1ccc(F)cc1Br	4.19
Cc1c(CCN2CCN(C(=O)Cc3cnc(-n4cnnn4)cn3)CC2)ccc2c1COC2=O	12
C1CCN(CC1)C1CCN(CC1)c1nc2cnc(cc2s1)-c1cncnc1	6.3934
FC(F)(F)c1ccc(\C=C\C(=O)N2CCC[C@H]2CN2CCCC2)cc1	3.6986
Fc1ccc(cc1)N1C[C@@H](C2CCN(CC2)CCN2CCNC2=O)c2ccccc12	0.0229
COc1cc(ccc1N1C[C@H](O)[C@@H](O)C1)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1	30
COc1cnccc1C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2c1cc(cc2)C(F)(F)F	20.2
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccccc4)cc23)CC[C@]1(C)N	3.8
O=C(NC1CCC(CC1)c1ccc(cc1)O)CCc1ncc(s1)C	10
O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCN(CC2)c2cc3scnc3cn2)c2ccccn2c1=O	13.1
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C(C)C)CC2)cc1	2.1
O=C(N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)C1CCN(CC1)c1cccc(n1)C(F)(F)F	10
OC(=O)CN(Cc1cccc(c1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1	11
[NH+]=1C[C@@H]2N(c3c(Cc4c2cccc4)cccc3)C=1N	165.9501
CC(C)N1CCN(CC1)C(=O)N1Cc2ccccc2C1	19.4
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2c1NON2	50.1187
CN1CCOc2c1nc(cc2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	60
CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1	33
Fc1ccc(cc1C#N)N1CCN(CCN2Cc3ccccc3C2)C1=O	10
CCOc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1	12.5892
COc1cc(ccc1OCCN1CCCC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1	5.5
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(NS(C)(=O)=O)c(F)cc1Cl)c1cccc(F)c1	31.6
OCC(Cn1c(C#N)c(c2ccccc2)c2c(c1=O)ccc(c2)OC)O	76
CC(C)Cc1cc(CNS(=O)(=O)c2cccc(F)c2)nn1-c1ccccc1	14.5
CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)cc(Cl)c1	10
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4OCCN(c4cc3CC2)S(C)(=O)=O)n1C	7.9
Cl.N=C(N)N/N=C/c1ccc(-c2ccc(/C=N/Nc3ccc(F)cc3F)cc2)cc1	2.24
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)C)[C@@]4(C)CCC(=O)C=C14	25.1189
CS(=O)(=O)c1cccc(-c2ccc3ncc(-c4cccc(S(C)(=O)=O)c4)n3n2)c1	2.35
Cc1cncc(-c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2)n1	59.8
[O-]C1=NC(=O)CN1N=Cc2oc(cc2)c3ccc(cc3)[N+](=O)[O-]	12.5893
CC(c1ccccc1C(=O)N(C1CCNC1)C1CCC1)C	19
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)[C@@H](C)N	14
N#Cc1ccc(NC(=O)[C@H](CN2CC(O)C2)Oc2ncnc3c2cnn3-c2c(Cl)cccc2C#N)nc1	7.9433
CCCNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(Cl)cc1F	8.9
Nc1ncnc2c1c(-c1cccc(OC[C@@H]3CCCO3)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1	3.6
Fc1ccc2c(c1)N1N=C(C(C1CO2)(CCCN1CCOCC1)c1ccccc1)C(=O)C	6.1
CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC4)c(F)c3)CC2)n1	7
N[C@@H](Cn1c2cc(F)ccc2ncc1=O)[C@H]1CC[C@@H](CC1)NCc1ccc2OCC(=O)Nc2n1	174
CC1N=CN=C1CN1CCc2c(c3ccccc3n2C)C1=O	3.1623
COc1ccc(NC(=O)Cn2cc(CCNS(=O)(=O)c3ccc(OC)cc3)c3ccccc32)cc1	10.23
COC(=O)c1ccc(cc1)C1CCC(CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	1
COc1ccc(Cl)c(c1)-c1ccc(NC(=O)c2ccnn2C)nc1N	30
COCCc1nc(CN[C@H]2CC[C@@H](F)C2)n(C(C)C)c1-c1ccc(Cl)cc1	16
CC1(N=C(N)C(=N1)c1ccccc1)c1cccc(c1)-c1cccnc1	33
CN(CCc1sc2c(c1C(c1cscn1)C)cccc2)C	1.7
OCc1cc(ccn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1	15.8
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)NC1CC1	2.1
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl	41
Fc1ccc2c(c1)CCC12CCN(C1)CCCSc1nnc(n1C)c1sc(nc1C)C	2.5
Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl	16
CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl	10.5
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3cc(c2=O)F	60
CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F	3.5
CCOc1cc2nnc(c(c2cc1N1CCN(CC1)C)Nc1cccc(c1Cl)Cl)C(=O)N	5
COc1cc(\C=C2/CCCN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1	0.7
c1ccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)cc1	7.62
Nc1n[nH]c(N2CCC(N(CCO)CCc3ccc(Cl)cc3)CC2)n1	6.3
O=C1OC2(CN1c1cccnc1F)CCC(CC2)c1nc2c([nH]1)cc(cc2)OC(F)(F)F	15.8
O=S(=O)(CC1CC1)NC1CN(c2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCC2)CO3)C1	11.4
Clc1ccc(cc1)c1cc2C(NC(=O)c3ccccc3O)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	30
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)C1CC1	30
CCOC(=N)c1ccc(s1)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1	4.8
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O	5.3703
CN(C/C=C/c1ccc2ccccc2c1)Cc1ccc2c(c1)OCCC2.Cl	16.2
CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	1.9055
CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N	200
N#Cc1cccc(c1)CN(c1cccc2c1cc[nH]2)C1CCNCC1	10
CCOc1cc2ncc(c(c2cc1N1CCN(CC1)CC)Nc1ccc(cc1F)F)C(=O)N	19
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)c(F)c1	27
NC(C(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2)Cc1ccccc1	8.8
COc1cc(F)ccc1-c1cncc(CNC(C)C)c1	6.67
CN1CCN(CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1.Cl	0.5623
Cc1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1	1.2
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1	9.1
CCc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC4)c(F)c3)CC2)nc1	3.2
CC(N1C[C@H](N)[C@@H](C1)C(=O)N1CCC[C@H]1C#N)c1ccc(cc1)C#N	10
COC(=O)c1cccc(c1)C(=O)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	0.8
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@H]1CNCCO1)c1ccc2c(c1)cn(n2)C	16
Oc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	100
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F	1.3
CC1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1	1.58
C(CN1CCCCC1)Oc1ccc(Oc2nc3ncccc3s2)cc1	10
O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1	2.4
COc1cc(C)c2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(F)cc2C1	23.5
NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CC3)n(C3CCCNC3)c2n1	1
COC([C@H](Oc1nc(C)cc(C)n1)C(O)=O)(c1ccccc1)c1ccccc1	4222.25
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Cc2ccccc2)C(C)C)ccc1OC.Cl	14.5
OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOC[C@H]1C)n1cncc1	32
Cn1cc(-c2nnc(SCCCN3CC4CCN(c5ccc(C(F)(F)F)cc5)C4C3)n2C)cn1	0.1585
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2Cl)C1	10
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)cc1	10
NC1=N[C@@](c2cc(F)cc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F	19
FC1CCC(C1)NCc1nc(n(c1C(C)C)c1ccc(nc1)C)c1ncccc1Cl	15
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(c2ccc(cc12)C(F)(F)F)S(C)(=O)=O	25
NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cn2)N1	15.8489
Cc1cccc(c1)CCN1CCC(CC1)C(=O)c1ccc(cc1)NS(=O)(=O)C	0.155
COCCN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)nccc2	5
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCO)CC1	2.64
O=C1N(CC[C@H]1[NH2+]Cc1n(cnc1)Cc1ccc(cc1)C#N)C(=O)c1cccnc1N	50
CCOc1nn(C2CCN(C(C)=O)CC2)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1	6.4
NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)[C@H]1CCCc2cccnc12	1.8
NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)c(F)c1)-c1ccc(F)cc1	21
Fc1ncc2c(c1)n1CC(N)C(Cc1n2)c1cc(F)c(cc1F)F	81
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2cnsc2)C3=O)ccc2c1COC2=O	4.9
O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cn4)CC3)ccc21	46
CCCCNc1nccc2[nH]c3ccccc3c12	1.5849
COc1ccc2cc3c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC	20.4174
CC1CC1c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F	34
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccnc1	35
C[C@@H](c1cscn1)c1c(CCN(C)C)sc2ccccc12	1.7
COc1ccc(cn1)C1(O)CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2c1cc(cc2)C(F)(F)F	28.5
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4c(C)c3C=C)c2n1	0.5
O=c1n(-c2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1	0.46
Fc1ccc(F)c(c1)C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1	10
C(CCN1CCN(CC1)c1ccccc1)CCCN1CCN(CC1)c1ccccc1	8
CC(C)(CO)NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1ccc(F)cc1F	515
Brc1ccc(cc1)N(C1CCN(CC1)C1CCCC1)C(=O)NCc1ccccc1	0.178
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N3CCCC3=O)nc2cc1Cl	10
Clc1ccc(cc1)c1ccc(cc1)CCCNc1ccc(cc1)CN1CCCCC1	2
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)S(C)(=O)=O)nc2cc1Cl	10
NC1=NC2(CO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1OCC21CC1	3.6
C[C@@H]1OCC2(CCN(c3nc(N)c(Sc4ccnc(C5CC5)c4Cl)c(=O)n3C)CC2)[C@@H]1N	9.8
CCN(CC)CC(=O)N[C@@H]1CC[C@@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](c2ccc(Br)cc2)C1	0.78
C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N	14.2
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccn2ncnc2n1	20.8
CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1	3
C[C@H](c1c(CCN(C)C)oc2ccccc12)c1ccccn1	1.2
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(Cl)cnc1F	1
CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(C#N)c1.Cl	0.0017
O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccn2)c2ccccn2c1=O	16.4
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)C1Cc2ccccc2CN1	30
NC1(Cc2nc(-c3ccc(OC(F)(F)F)cc3)c[nH]2)COC1	14
Clc1ccc2c(c1)[C@](O)(c1ccccc1)C(=N2)N	25
ONC(=O)\C=C\c1ccc(CNCCc2c[nH]c3ccccc23)cc1	27.46
COc1ccc2ncc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	333
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)c1ccccc1C	30
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccnc1F	6.3
Cc1cccc(c1)C(CC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1	25
O=[N+]([O-])c1ccc(NCCCCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c2nonc12	0.025
Cc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)cc3)c3cc(C)oc3c2)cn1	59
Fc1cnc2ccc(=O)n3CC(F)(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23	13.8
CC(C)[C@@H](N)CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2	4.36
CONC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1	33
COc1ccc(-c2ccc3ncnc(N4CCC[C@H](C(=O)N5CCN(C)CC5)C4)c3c2)cn1	1.5
COc1ccc2ncc(F)c(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1	5
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2cccc(OC)c2)CC1	0.3
CNC(=O)CCCNC(=O)N(C1CCN(CC1)[C@@H](CCNC(=O)c1c(C)cc(nc1C)Cl)C)Cc1ccsc1	50
CC(c1ccccc1C(=O)N(C1CCNC1)C1CCCC1)C	18.5
C[C@@H]1COCCN1c1nc(cc2c1ncn2[C@@H](S(=O)(=O)C)C)c1cncc2c1cc[nH]2	9
N#Cc1ccc(S(=O)(=O)N2C[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@](O)(CN)C2)c(Cl)c1	5.3
CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1	2.3
COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1	11
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cncs2)CC1)c1cccc(NC(=O)OC)c1	14
COc1ccc2ncc(F)c(CC(=O)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	9.4
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]	3.1
COc1ccc(cc1)C1CN(CC1CC(=O)N(c1cccc(c1)Cl)C)CCc1ccc(c(c1)OC)OC	0.029
CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1	30
Fc1cc2COC3(CCN(Cc4ccc(cc4)C(N=O)c4ccc(F)c(F)c4)CC3)c2cn1	0.3
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccn1	0.1
O[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1	16
COCc1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1.Cl	1.81
CC(CN(C(=O)c1cccc(c1C)Cl)C1CNCC1)C	52.396
CC(C)(C)c1cc(CNCC2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(c1O)C(C)(C)C	0.87
CC(C)(C)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F	1.1
Cc1cc(Cl)cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1	4.9
Cc1cc(C)nc(Nc2cc(NCC3(N)CC3)cnc2C(N)=O)c1	1.7
NC1CCCN(C1)c1c(cccc1Br)/C=C\1/SC(=O)NC1=O	30
COC(=O)c1cnc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)cc1N(C)C	30
OC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	31.6
CC(=O)N1CCC(CC1)n1ncc(c1)c1cnc(c(c1)c1nc2c(o1)cccc2)N	100
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(Cl)c(F)cc4[nH]3)c2c1	1.2
COCc1cnc2n1C[C@@H](CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1c2cccn1)c1cccc(c1F)F	5.43
O=C(Cc1ccncc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1	3.2
Cc1nc(C)c(o1)-c1nnc(SCCCN2CCC3CC3(CC2)c2ccc(cc2)C(F)(F)F)n1C	1.2589
COc1ccc(cc1)C1CN(CC1CC(=O)Nc1cccc(c1)Cl)CCC1CCOCC1	0.12
Nc1nc2c(s1)cc(cc2)OC(F)(F)F	21.3796
CSc1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1	18.7
COc1ncc(cn1)-c1cccc(Cl)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1	3.9811
COc1ccc2C(N(Cc3ccccc3-c3ccccc3)C(=O)c2c1C)C(=O)NC(C)(C)C	24
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(F)cc3)C2)nnc1-c1cccnc1	2.0893
OC(=O)c1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	1.5849
Fc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OCCCN1CCCCC1	50
CC(C)S(=O)(=O)N[C@H]1CN(C[C@@H]1c1ccc(cc1)-c1ccc(cc1)C#N)c1ccccc1	0.8
O=C(c1cc([C@H]2CCCN2c2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1)N1CCOCC1	45
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCC(O)C2)cc1	24
CC(C)(C)c1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1	7.45
COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2OC)OC	18.4
CCOC(=O)N1CCN(Cc2nc(no2)-c2cccc(Cl)c2)CC1	15.5
CCOC(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1noc2c1cc(cc2)C(F)(F)F	5.6
CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C(=O)NC(C)C	33
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)c5cccnc45)nc3c2=O)C1	0.1
Cc1nccn1-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)cc1	2.2
CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc(F)c5cccnc45)cc3c2=O)C1	9.5499
OC1CN(CCC1Cc1ccccc1)CCS(=O)(=O)c1ccc(cc1)O	10
Cl.COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1	2.8
COc1ccc(cc1c1ccc(cc1CN(C(=O)O)CCc1ccccc1)C(F)(F)F)CC(=O)O	100
CC(NC(C(COc1ccc(c2c1CCC2)C)O)C)C	9.2
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)(F)C(F)F)c1	1.7
C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)nc1	0
CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C	10
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1cnccn1	12
CNC1CCN(C1)c1nc(N)nc2c1oc1c2cc(cn1)Cl	10
FC1CCN(C1)C(=O)C(C(c1onc(n1)c1ccc(cc1F)S(=O)(=O)C)CC1CC1)N	58.5
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C	30
Cc1nc2ccncc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	10
Clc1ccc(NC(=O)N2CCN(C[C@H]3CN(CCO3)C3CC3)CC2)cc1Cl	16
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1	12
O1CCC(CC1)C1NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)C1C2CC3CC1CC(C2)C3	0.506
CC(C)Oc1cc([C@@](Cc2ccccc2)(NC[C@@H](O)CC(F)(F)F)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F	23
Cc1cccc(Nc2nc(N[C@@H]3CC(F)(F)CC[C@@H]3N)ncc2C(N)=O)c1	7.9
COc1cc(ccc1OCCN1CCCC1)-n1ccnc(NCCc2ccccc2)c1=O	6.2
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCNC(=O)C1	16
Fc1ccc(nc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)OCC2CCCO2)cc1	10
NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n([C@H]3CCCNC3)c2n1	2.9
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1cccnc1C	7.94
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N(C)C(C)=O)nc2cc1Cl	10
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)n1C	1
c1ccc(cc1)n2nnc3ccccc23	16.5959
COc1cc(OC)cc(c1)C(=O)NCC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(O)=O	12.08
CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1F	16
Cc1ncc(CNC2CCN(CCn3c4cc(Oc5ccc(cc5)S(N)(=O)=O)cnc4ccc3=O)CC2)cc1Cl	82
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)C1(CC)CCC(CC1)(C)O	11
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc(on2)-c2cccs2)Cn2c3c1c(F)cnc3ccc2=O	0
COc1ccc2nccc(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1	3.8
CN(C)C(=O)c1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1	33
CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1	1.9953
OC(=O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1	10
NC(=O)c1cnc2ccc(-c3cccnc3)cc2c1SC1CCCC1	5.1
O/N=C(/c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1	0.31
COc1cccc(c1)C(=O)N1CCn2c(nnc2-c2nc(C)ns2)[C@H]1C	70
CCO\N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1	0.1
Cn1c(nc2c(Cl)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1	1.1
O=C([C@@H](c1ccc(nc1C)n1cnnn1)C)N1CCN(CC1)CCc1ccc2c(c1C)COC2=O	3.4
Fc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1	10
COc1cccnc1Cn1ccc2nc(N)nc(OCc3ncc(C)o3)c21	2.2
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C(=O)NS(C)(=O)=O)c1ccccc1	25.1
CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1	30
CC1COCC(C)N1S(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1	1.1667
Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1	5.6
COCC(C)(C)C#Cc1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1	0.0011
FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C1=O)c1ccccc1	6
COc1nc2ccc(CN(C)C)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12	4.8
CN[C@H]1CCN(C1)C(=O)c1ccc(cc1)Nc1ncc(c(n1)c1cnc(n1C(C)C)C)F	95
OC1(CCCCC1)[C@@H](CN(C)C)c1ccc(O)cc1	5.5
CN(C)c1ccc(\C=C\c2c(F)cccc2Cl)cn1	59.5
C[C@@H]1CCCN1CCc1cc2c(o1)ccc(c2)c1cnccn1	10
CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1	30
CC(C)C[C@H](CN)Nc1cc(Nc2cccc(n2)C(C)(C)C)c(nn1)C(N)=O	3.9811
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)C1(C)CCC(=O)CC1	8.5
C[C@H](CO)CONC(=O)c1ncc2cncn2c1Nc1ccc(I)cc1F	14
NC(=O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1	1.5
Cc1cc(F)ccc1OC1CCN(CC2CCN(CC2)[C@@](C)(Cc2ccc(F)cc2)C(O)=O)CC1	100
C[C@@H]1OCC2(CCN(c3nc4[nH]nc(-c5ccnc(NC6CCC6)c5Cl)c4c(=O)n3C)CC2)[C@@H]1N	1.9
C1c2cc(cnc2O[C@]11CN2CCC1CC2)-c1ccoc1	1.6
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(S(C)(=O)=O)cn2)C3)ccc2c1COC2=O	14.4
Cc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C	19.9526
Cc1ccc(cn1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C	0.7943
Fc1ccc(cc1)C(c1nncn1Cc1ccccc1)OCCN1CCCC1	3.8
NC(=O)C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1	10
O=C1CN(C(=O)N1C1CCC1)Cc1ccc(cc1)c1cccc(n1)CN1CCCCC1	10
CCCCN(CC(COc1ccc(cc1)NS(=O)(=O)C)O)CCc1ccc(c(c1)Cl)Cl	0.07
Cc1ccc(-c2cc(S(=O)(=O)c3ccc(CN)s3)ccc2S(C)(=O)=O)cc1.Cl	68
N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1cc(F)c(F)cc1F	68.85
C1Oc2ccc(cc2O1)[C@H]3OC[C@H]4[C@@H]3CO[C@@H]4c5ccc6OCOc6c5	15.1356
CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(=O)n(C)cc32)cn1	10
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(OC(F)(F)F)c2)n1C	0.8667
COc1cc(CN2CCC(CNCCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC	0.1
Clc1ccc(cc1)-c1oc(cc1)\C=N\N1CC(=O)N(CCCC[NH+]2CC[NH+](CC2)C)C1=O	1.4
COc1cc(\C=C\c2nc(N)c3c4CCCCCc4sc3n2)ccc1-n1cnc(C)c1	0.39
FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1	10.7
CN(C(=O)c1ccc(cc1)n1cccn1)C1CCN(C1)C1CCC1	25
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1	1.2
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CC2CCC(C1)O2	32
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3F)C2)n1C	0.4467
COc1cc(-c2cn(C3CCc4ccccc4N(Cc4cccnc4)C3=O)nn2)ccc1-n1cnc(C)c1	4.45
CC(C)(O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1	1.5
CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1	40
CC[C@@H](OC(C)=O)C(C[C@H](C)NC)(c1ccccc1)c1ccccc1	12.0226
Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12	30
N#Cc1c(\N=c2/sc(nn2-c2ccccc2)-c2ccccc2)nc(cc1-c1ccccc1)-c1ccccc1	7.6
COc1cc(ncc1C#N)[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1	18
O=C1OCc2c1ccc(CCN1CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC1)c2Cl	17
CNc1nccc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)n1	9.4
CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.O=S(=O)(O)O	3.1623
O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncn2)cc1	50.1
Clc1ccc(cc1)C(=O)C1CCN(CC1)CCCc1ccccc1	0.055
N#Cc1ccccc1C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2c1cc(cc2)C(F)(F)F	2.1
CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F	4.5
CC[C@@H](C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C	7
COc1ccc2nccc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3ccc4OCCOc4c3)c2c1	25
O[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	10
Fc1ccc(CC2(CCNC2)c2ccc3[nH]ccc3c2)cc1	9
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1	0.2
Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	10
COc1cc(nc(C)c1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1	10.85
C[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)[C@H]1F	5.1
CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12	23
Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1	29.2
O=C1CCc2ccccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O	7.3
Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC3C[C@]3(c3ccc(C(F)(F)F)cc3F)C2)n1C.Cl	1
CCn1cc(cn1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1	39.9
CSc1ccc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)cn1	4.6
O=S(=O)(Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1)c1ccccc1	32
CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1	15
OCC1CCCN(C1)C(=O)CC1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)CC1	2.3
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cccnc1	12
N#Cc1ccccc1Cn1c(nc2c(c1=O)[nH]cc2Br)N1CCCC(C1)N	300
O=C(CCCCc1c[nH]nn1)NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1	9.3
NS(=O)(=O)c1ncccc1-c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1	36
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1	31.6
Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl	7.1
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1cccc(F)c1	3
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cnc2[nH]cc(Cl)c2c1	4.4
Clc1cnc2nc(oc2c1)N1CCN2CCC1CC2	3.3
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1	10
C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2cnn(C)c2)cn1)c1ccccc1)c1ccc(C#N)cc1	10.4
CC(C)Oc1ccccc1CC(N1CCNCC1)c1ccccc1	6.37
CCOc1cc([C@](O)(CCN(C)C)[C@H](c2ccc(N(CC)CC)nc2)c2cc3cc(Br)ccc3nc2OC)cc(OCC)n1	9.9
COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1	80
Cc1nc2cc(Nc3cc(NC4CCN(c5ccc(C#N)cn5)CC4)c(C(N)=O)cn3)ccc2o1	6.6
C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(nc2n1)-c1cccc(c1)C(=O)NCCO	32
CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ncccc2C(F)(F)F)C1=O	8.2
Fc1cc(Cl)cc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O	3.16
CCOC(=O)CCc1ccc(c(c1)C#N)OCC(CNC(Cc1ccc2c(c1)cccc2)(C)C)O	1.7
Cc1ccc(OCCCc2cccc(CCCOc3ccc(C)cc3)[n+]2C)cc1	0.55
Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(nc1)C(=O)NCCCC(F)(F)F	19.9526
Clc1cccc(c1)N1CCN(C1=O)CCN1C2CCCC1CC2	1.58
C(Oc1ccccc1)c1cccc(COc2ccccc2)n1	0.074
NC(=O)c1cncc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1	1.5
COc1c(cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(C)(C)C)C(C)(C)C	0.1
COc1ccc(CCN2[C@@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1	15.1
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)NC(=O)C1CCCC1	156.6667
CN1CCN(CC1)c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1	2.3
COC(=O)c1ccc(cc1)Oc1ccc(cc1)CN1CCC(CC1)N1C(=O)N(C[C@H]1c1ccccc1)C1CCCCC1	15.8
N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1cccc(c1)C(F)(F)F	0.3
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)C(C)=C)C#N	30
Cc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1	50.1
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(cn2)C#N)cs1	1.8
CCS(=O)(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	100
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CC[C@@H](CN(Cc2ccccc2)C1=O)c1ccccc1	0.2
CCCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12	3.2
OC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)(c1cccc(Cl)c1Cl)C(F)(F)F	10
COc1ccc(cc1)[C@H]1CN(Cc2ccc(OC)c(OC)c2)C[C@@H]1CNC(=O)c1cccc(Cl)c1	0.6
O=C1COc2c(N1)nc(c(c2)C)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	60
Nc1nc(NCc2cc(C3CC3)on2)c2c(ccn2Cc2ccccn2)n1	0.2
CN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1	60
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1CCCCN(CC(F)(F)F)C1=O	21.9
Clc1cccc(c1)N1CCN(C1=O)CCN1CC2CCC(C1)CC2	0.4
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(nc1)-c1ccc(cc1C)C(O)=O)c1cnccn1	2.5
COc1nc2ccc(C)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12	4.3
NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccc(F)c3)sc12	14.2
COc1ccnc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1	9.8
Cc1cc(O[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)cc(C)c1F	0.79
ONC(=O)/C=C/c1ccc(cc1)CN(CC(F)F)CCc1c(C)[nH]c2c1cccc2	50
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)cc1	100
COc1ccc(cc1)-c1ncccc1NP(=O)(c1ccccc1)c1ccccc1	33
COc1cc(Cl)c(cc1O)-c1nc(SCC(=O)N(C)C)nc2[nH]cc(C#N)c12	30
Nc1cccnc1C(=O)N1CCC2(CC1)CCN(CC2)Cc1cccc2c1OC(O2)(C)C	4.17
CN1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1	0.63
O=C(C(C(C(=O)N1CCC(C1)(F)F)N)c1ccc(cc1)c1ccc2n(c1)ncn2)N(C)C	100
COc1cc(OC)cc(c1)C(=O)NCC1(CCN(CCc2ccccc2)CC1)C#N	1.57
N#Cc1ccccc1Cn1c(nc2c(c1=O)cc([nH]2)Br)N1CCCC(C1)N	300
COC(=O)N1CCC(CC1)C1NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)c1ccccc1	0.7
CCNC(=O)[C@H]1CC(=O)[C@@]2(C)CC[C@@H]3c4ccc(OCCCN5CCC[C@H]5C)cc4CC[C@H]3[C@H]12	17.5
CC(C)Cc1ccc2ncccc2c1NS(=O)(=O)c1ccc(CCCO[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc1	1.6
CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(Cl)cc4)cc3)CC2)c1	1.7
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1	0.1
O=C(c1ccccc1C(C)C)N(C1CNCC1)CC1CCCC1	2.35
CC(C)(Cc1ccccn1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O	4.3
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl	0.56
CCOC(=O)c1c(OC)cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc12	0
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1	60
Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12	4
Cn1cc(NC(=O)c2cccc(-c3ccnc(N)c3)n2)c(C(N)=O)n1	25
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3c2)Cn2c3c1c(F)cnc3ccc2=O	7.3
CCN(Cc1ccc(cc1)C=CC(=O)NO)CCc1c[nH]c2c1cccc2	5.92
COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	22.9
CN(C1CCN(Cc2ccc(cn2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1	4.2
O=C(c1ccc(cc1)OC1CC(C1)N1CCCCC1)N1CCCC1	30
COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1	4.2
O=C(CN1CCOCC1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1	10
CN(CCC(=O)N1CCCC1)C(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	28
CCOC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1	3.2
CN1CCN(Cc2ccc3nc(Nc4ccc(cn4)C(F)(F)F)[nH]c3c2)CC1	21.5
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3C(F)(F)F)C2)n1C	2.6915
Cc1ccc(CCOCc2cccc(COCCc3ccc(C)cc3)[n+]2C)cc1	0.1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc2[nH]ncc2c1	4.7
ClC(Cl)Cl	4000
CC(C)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F	26
N#Cc1cc(CNC2CCN(CC2)CCN2C(=O)C=CC3C2C=CC(=O)N3C)cnc1C	33
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	3
OC(=O)c1ccc(cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	31.6
Brc1ccc(cc1)CN1CCC(CC1)N1C(=O)N(C[C@H]1c1ccccc1)C1CCCCC1	2.7
Cn1c(nc2ccc(cc12)-n1ccc(OCc2ccc(Cl)s2)cc1=O)C1CC1	10
N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O	6.1
Cc1c(C)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2oc1=O	0.195
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1ccc(OCC(F)(F)F)nc1	1.5
O=C(c1ccc(cc1)NS(=O)(=O)C)C1CCN(CC1)CCc1ccccn1	0.039
Cn1c(SCCCN2CC3CCN(c4c(F)cc(F)cc4F)C3C2)nnc1-c1cnccn1	0.5
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCC(C2)N2CCCC2)cc1	10
C[C@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C	10
N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)F)cc2)n1	25
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N2CCC(CC2)c2nc3ccccc3o2)nn1	10.3
COc1cccc(n1)C1(O)CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2c1cc(cc2)C(F)(F)F	13.4
CNC(C)c1cc(C)ccc1Oc1ccc(Cl)c(Cl)c1	2.69
COc1ccc(cc1)[C@H](N[C@@H]1CC[C@H](C(C1)(C)C)C(=O)N1CCC(CC1)(c1ccccc1)N(C(=O)C)C)C	10
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)N1CCOCC1	20.4
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1cccnc1	6
O=C(C1CCS(=O)(=O)CC1)N[C@H](c1ccc(cc1)F)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1ccc(c2)F	10
O=C(N1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	8.8
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@@H]1CNCCO1)C1CC1	6.6
Clc1cc(C(=O)N[C@@H]2CC[NH+](C[C@@H]2OC)CCCOc2ccc(F)cc2)c(OC)cc1N	0.02
CS(=O)(=O)Nc(cc1)ccc1CC[N@@H+](C)CCOc(cc2)ccc2NS(=O)(=O)C	0.01
C[n+]1c(cccc1C#Cc1ccc(cc1)-c1ccccc1)C#Cc1ccc(cc1)-c1ccccc1	0.2
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3)C2)n1C	0.6026
CCN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1	5
CC(C)N1CCN(CC1)C(=O)N1CCC(=CC1)c1ccccc1	22.2581
Cc1ccc(cc1)COC(=O)N1CCC(CC1)CNc1ncccn1	10
Oc1ccc2CC3N(CC4CC4)CCC56C(Oc1c25)c7oc8ccccc8c7CC36O	0.1862
N[C@H]1CN(Cc2ccc(cc2)-n2cncn2)C[C@H]1C(=O)N1CCC[C@H]1C#N	1.8
CCCCc1nc(C(C)C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1	7
N#Cc1ccc(cc1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	1.1
Fc1ccc(cn1)NC(=O)C1(C)CCCN1c1nc(Nc2[nH]nc(c2)C2CC2)c2n(n1)ccc2	10
COc1ccc(cn1)[C@]1(O)CCC(CC1)N1CC(C1)NC(=O)CNc1noc2c1cc(cc2)C(F)(F)F	8.7
CNc1ccc(\C=C\c2c(F)cccc2F)cc1	49.1
CC(C)(O)c1ccc(cn1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12	36.6
COc1cc(OC)cc(c1)C(=O)NCC1(CCN(Cc2ccccc2C(F)(F)F)CC1)C#N	4.76
O=C(C1CC1c1ccc(cc1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)c1[nH]cnn1	1
CN(C)C/C=C/C(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	92.1
Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1	13.6333
CN(C1CCNCC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F	19.2
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2	0.0034
CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2c(C)noc2C)c1	5
CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1	10
Fc1ccc(cc1)N1N=C[C@H]2[C@@H]1C=C1CCN(C[C@@]1(C2)C(=O)c1ccccn1)S(=O)(=O)c1ccc(cc1)C(F)(F)F	5
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCS(=O)(=O)CC1	16
Cl.O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1	31.6228
C[C@H]1CCCCO[C@@H](CN(S(=O)(=O)c2ccc(cc2)F)C)[C@@H](CN(C(=O)c2c(O1)ccc(c2)NC(=O)Nc1c(C)noc1C)C(C)C)C	100
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1noc(CN)n1	3.7
Fc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OCCCN1CCCC1C	25
CN(C)CCN(Cc1ccccc1)c2ccccn2	2.9512
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(N(C)C(C)=O)c2ccccc2)C(C)(C)C1	10
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(F)cc1	0.3
Cc1ccccc1CN1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N	0.62
COc1cc(ccc1n1cnc(c1)C)c1nnn(c1)C1C[C@H](CN(C1=O)CC(F)(F)F)C(F)(F)F	13.1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4NCCOc4cc3CC2)n1C	0.3981
Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1	30
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ncc(cc12)C(F)(F)F)c1cncs1	50
O=C(Nc1ccccc1)Nc2n[nH]c3nnc(c4ccccc4)c(c5ccccc5)c23	15.1356
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O	63
N#Cc1ccc(OC2CNC(C(=O)N3CCCN(C4CCCC4)CC3)C2)cc1	2.9
Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1	25.1189
COc1cc2CCN(Cc2cc1OC)C(=O)N1CCN(CC1)C(C)C	115
CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2F)C1	30
CN(CCN1CCN(C1=O)c1ccc2OCOc2c1)C[C@]12CC[C@@H](CC1)C2(C)C	6.3
O=C(N(C1CCN(C1)C1CCN(CC1)C(=O)c1c(C)cccc1C)Cc1ccccc1)C1CC1	9.8
CCc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C	23.99
CS(=O)(=O)c1ccc(-c2noc([C@@H](CCO)[C@H](N)C(F)=C3CCCC3)n2)c(Cl)c1.O=C(O)C(F)(F)F	47
Cc1cccc(Nc2nc(N[C@@H]3COCC[C@@H]3N)ncc2C(N)=O)c1	7.9
O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34	3.1623
Cc1cc(ccc1NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1)C(O)=O	0.7
Cc1nc2c(cccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F	0.3
CCN(c1ncc(C(N)=O)c2sc(-c3ccccc3)cc12)[C@H]1CCCNC1	2.4
Cc1cc(CNc2nc(N)nc3ccn(Cc4cc(Cl)ccn4)c23)no1	0.5
CN(C)CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(o1)-c1ccncc1)C(F)(F)F	0
CC1(C)C[C@@H](NC(=O)c2ccccc2O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl	30
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCCN(CC2)C2CCCC2)cc1	6.8
NCCC(c1ccccc1)Oc1cc(Cl)c(cc1C#N)F	10
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1	23.5
ONC(=O)C=Cc1ccc(cc1)CNCCc1c(nn2c1cccc2)c1ccccc1	10.39
Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1	9.8
ONC(=O)\C=C\c1ccc(CNCCc2c([nH]c3ccccc23)-c2ccccn2)cc1	1.5
NC(=O)C(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1	100
O=C(C(n1c(nc2c1cccc2)c1ccc(cc1)Cl)C1CCCCC1)Nc1ccc(cc1C(F)(F)F)C(=O)O	20
Cc1ccccc1N1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1	2.3
CCN1CCN([C@H](C)C1)c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl	0.99
O=C(C1CC1c1ccc(cc1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(C(F)(F)F)O	0.06
CC(=O)CC(C1=C(O)Oc2ccccc2C1=O)c3ccc(cc3)[N+](=O)[O-]	40.738
Cc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	10
CN1CCOc2c1cnn1c(-c3ccc4cccc(NC5CCCCC5)c4c3)nnc21	6.06
COc1c(Nc2ccc(nc2C)S(C)(=O)=O)ncnc1OC1CCN(CC1)C(=O)OC(C)C	11.5
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccc(C#N)nc4)cc23)CC[C@]1(C)N	4.1
Fc1cnc(CCN2C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c3ccccc3C2=O)nc1	5.5
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3	0.1175
Nc1n[nH]c(N2CCC(N3CCC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1	4
CN(C)c1ccc(-c2cc3nccnc3c(CCC3CCCNC3)n2)cn1	15.8489
Fc1ccc(cc1)N1CC2(OC1=O)CCC(CC2)c1nc2c([nH]1)cc(cc2)OC(F)(F)F	0.8
Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNCc3oc2c1	1
OC(CN1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)COc1ccc(cc1)C(F)(F)F	9.2
CC(C)=CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C	0.2
Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccc(F)c3)N2)cc1	4
Cn1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCC3(F)F)n2)cn1	25.1189
CCc1c(-c2ccc(N3CCC(N(C)C)C3)cc2)[nH]c(=O)c2c(=O)[nH]sc12	20
Nc1ccc(-c2cccc(F)c2)cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1	0.167
CCCNS(=O)(=O)c1cc(c(cc1F)Cl)C(=O)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1cccc(c1)F	8.9
N#Cc1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1	1.4
Fc1ccc(c(c1)F)C1N=C(CCc2ccc(cc2)NS(=O)(=O)C)N(Cc2c1cccc2)C	0.38
COc1ccc2c(c1)C(=O)O[C@]21CC[C@@H](CC1)C(=O)N(C)CCN1CCCCC1	10
COc1cccc(C(c2cc3cc(Br)ccc3nc2OC)C(O)(CCN(C)C)c2cnc(C)cc2C)c1OC	3.9
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCc2c1)C(CO)CO	17.7828
COc1ccc([C@]2(c3ccc(F)cc3)N=C(c3cc(C#N)ccn3)N[C@H]2C)cn1.Cl	6.3
Fc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1	0.258
Fc1cccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1	3
Fc1cnn(c1)Cc1c(F)ccc2c1CCC2c1ncc[nH]1	10
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCOc3n2)Cn2c3c1c(F)cnc3ccc2=O	60
CCOC(=O)NCCc1ccccc1c1ccc(c(c1)Cl)[C@H]1CNCC[C@H]1c1ccn(c(=O)c1)C	3.2
CN1CCC(Cn2nc(-c3ccc4cc(OC5CCC5)ccc4c3)c3c(N)ncnc32)CC1	0.2
N#Cc1ccccc1Oc1ccc([C@H]2CC[C@@H](C(N)=O)N2)cc1	3.9811
Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(c2Cn2cncn2)-c2ccccc2)CC1	9.8
CC(C)(O)c1nc2cc(Cl)ccc2n1[C@H]1CC[C@@H](NC[C@H]2Cc3ccc(C#N)cc3C2)CC1	0.06
Fc1cc2[nH]c(C=3CC=CNC=3)c(c2cc1)[C@@H]1C[NH2+]CC[C@@H]1F	2.5
CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(Cl)cc1F	19.0546
Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3cc(F)c(F)cc23)c1Cl	100
O(C)c1c2c(C[C@@H]3N(CCc4cc(OC)c(OC)cc34)[C@@H]2Cc2ccccc2)ccc1OC	2.51
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(Cl)cc2)cc1	8.7
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(c(Cl)cc1F)S(N)(=O)=O)c1cccc(F)c1	50.1
CCOC(=O)C1CCN(CCCCOc2ccc(cc2)S(N)(=O)=O)CC1	18.8
c1cccc(c12)[nH]c(=O)n2CCC[N@H+](CC3)CC[C@@H]3n4c(=O)[nH]c(c45)cc(Cl)cc5	0.1622
CNCc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1	2.1
C[C@H](C(=O)N1CCC(Oc2ccc(-c3cn(C)cn3)cc2C(N)=O)CC1)c1ccc(OC(F)(F)F)cc1	6.5
OCCN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1	10
CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCC(C#N)(c3ccccc3)CC2)CC1	5.46
O(C)c1cc2c(cc1OC)C[C@H](CC1CC[NH+](CC1)Cc1ccccc1)C2=O	1.9953
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccccn1	33.3
Cl.COc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	18
CO[C@H]1C[C@@H]2C[C@H](C[C@@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC	50
CC(C)Cc1cc(CNC(=O)C2C3CN(Cc4ccccc4)CC32)nn1-c1ccccc1	1.43
CC=C1N(C)C(C)CC1(c1ccccc1)c1ccccc1	50.1
COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CCN(CC1)C(C)=O	33
FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1	2.5
COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1	44
CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1	23.4423
CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O	36
C=CC(=O)N[C@H]1CCN(c2ccc(C(N)=O)c(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)n2)C1	10
CC(C)(N)C(=O)N1CCn2c(Nc3ccc(F)cc3)c(nc2C1(C)C)-c1ccc(F)cc1	21.9
CCOC(=O)[C@H]1[C@H](CC2N(C1CC2)C)OC(=O)c1ccccc1	1.2
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CC1	9.5
COc1ccc(cc1Cl)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C	3.98
CN(C)CC(O)Cn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O	12.1
CC(C)Cc1cc(nn1-c1ccccc1)C(=O)NCC1(CCN(Cc2ccccc2C(F)(F)F)CC1)C#N	4.76
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1	14.3
COc1ccc2OC(C(C)S(=O)(=O)c2c1)c1ccc(OCCCN2CCCC2)cc1	1
N[C@H](COc1cccc2ccc(=O)[nH]c12)CN1CCC2(CC1)Cc1cc(F)ccc1O2	1.2
CC(C)c1cc(CN2Cc3ccccc3S2(=O)=O)nn1C(C)(C)C	19.3
Cn1cc(C(=O)NC[C@@H](O)CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c(cc1=O)C(F)(F)F	12.5892
O(C(=O)c1ccccc1)[C@@H]1C[C@H]2[NH+]([C@H](CC2)[C@H]1C(=O)[O-])C	391.5002
COc1ccc2c(c1)n(CCN1CC[C@@H]([C@H](C1)O)NCc1ccc3c(n1)NC(=O)CO3)c(=O)cn2	152
COCCN1CCCC(Cn2c(-c3cccnc3C)nc3cn(-c4ccc(C#N)cc4)nc3c2=O)C1	21
OC(CN1CCN(CC1)Cc1c(F)cccc1Cl)COc1ccc(cc1)C(F)(F)F	13.97
CCCCNCC[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F	0.0724
O=C1COc2ccc(CNC34CCC(CCc5c(cnc6ccc(nc56)C#N)C#N)(CC3)OC4)nc2N1	0
COCCONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C	40
CN(CCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)C	100
CN(CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(=O)C)C	30
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C#N	0.1
Cc1c(C(F)CN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)ccc2c1COC2=O	68
CC#Cc1cncc(c1)-c1cc(ccc1O)C1(N=C(C)C(N)=N1)C1CC1	24.5
Cn1c(C(N)=O)ccc1-c1cccc(OC(=O)NCCN2CCN(c3ccccc3)CC2)c1	6.4565
Cc1nc(nc(OCCCN2CCCC2)c1Cl)-c1ccccc1	0
CC(C)(C)CCN1CCC(CNC(=O)C2(CCCCC2)c2ccc(F)cc2)CC1	3.674
CN1C[C@H]2[C@H](CN(Cc3ccc(F)c(Cl)c3)C(=O)c3cn(C)cn3)[C@H]2C1	8.5
CCCCN(CC)CC#CCc1ccc(C)cc1	3.47
Cc1nc(C)c(s1)-c1ccc(cc1)N1C(=O)N(c2cc(=O)[nH]cn2)C2(CCN(Cc3ncccc3C)CC2)C1=O	0.9
Cc1c2CCCN3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12	2.6
Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@]4(C)C[C@H](N)C4)c3n2)c2ccc(F)cc12	30
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cccnc2)CC1)c1cccc(NC(=O)OC)c1	11
Clc1ccccc1OC1CN(C1)S(=O)(=O)c1ccc2c(c1)CCNCC2	3.41
Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@]4(C)C[C@H](N)C4)c3n2)c2ccc(F)cc12	1
O=C(NC(c1ccc(Cl)cc1)c1cnccn1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1	1
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O	1.2589
CC(C)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1	2.35
Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1	31
Fc1cnc2ccc(OCC3(CC3)C#N)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1	5.5
N#Cc1cnc(s1)Nc1ncnc(c1)N1CCN(CC1)C(=O)C	3.3
Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(cn1)-n1cnnn1	10
COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2C#N)cc1	3.6
Fc1ccc(F)cc1C=1CN(C(=O)[C@@H](N)C(C)C)[C@H](C=1)c1cc(O)ccc1	8.5
OC1CN(C1)CCC1CCN(CC1)c1nc2ccccc2c(c1)C(=O)NCC1CCC(CC1)CNC(=O)OC(C)(C)C	33
Clc1ccc(cc1)c1cc2C(NC(=O)c3c(C)n[nH]c3C)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	1.6
Fc1cccc(c1Cn1nnc(c1)C(=O)N)F	100
Cc1cc(C)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1	21
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1	80
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)C(C)(C)C1	0.5
CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)NC)c4ncccc34)CC2)CC1	0.3
COCC(=O)OC1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2C1C(C)C	1.4454
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)CO)n1	24
CC(C)(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl	16.8
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1	30
CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32	0.039
Cn1cc2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc2n1	30
CCC1Sc2ccccc2OC1c1ccc(cc1)OCCCN1CCCC1	0.011
N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCC1CCC[C@H]1C	0.195
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(C3)[C@H](C)c3ccnc4ncccc34)C(=O)O[C@]12C	43
O=C(NC1CN(C1)C1CC[C@](CC1)(O)c1ccnn1C)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	50
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)cc2F)n1C	0.6333
Clc1cc2c(cc1)\C(\c1ncccc1CC2)=C\1/CC[NH2+]CC/1	4.46
O[C@H]1C[C@@H](COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)C[C@H]1O	2.7
O=S(=O)(c1ccc2c(c1)cccc2)NCCCCN1CCN(CC1)c1noc2c1cccc2	20
Brc1n2c(nc1C)C(=O)N(C=C2)CC1(CC1)c1ccccc1	26
CN(S(=O)(=O)c1ccccc1)c1ccc(cc1)C12CNCC2C1	63
COc1ccc2ccc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ncc4OCC(=O)Nc4n3)c2c1	100
O=c1[nH]c2c(n1CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)cccc2	0.355
C[NH+](C)CCCN1c2ccccc2Sc3ccc(Cl)cc13	1.47
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C	30.4
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1F	100
CC1(C)CCc2cc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccc(N)cn3)ccc2O1	19.5
CN1Cc2ccccc2[C@H](N=C1CCc1ccccc1)c1ccccc1	0.09
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)C(F)(F)F)n1C	0.25
CC(CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NCCc2cnc[nH]2	12.8825
Cl.Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccccc2o1	0.75
COc1ccc(cc1C(=O)N(C)C)c1ccc2c(n1)nc(nc2N1CCOC[C@H]1C)N1CCOC[C@H]1C	32
Cc1noc(c1CCN1Cc2ccc(\C=C\C(=O)NO)cc2C1)-c1ccccc1	30
FC(F)(F)c1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1	30
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1C(N)=O)C#N	30
CC([C@H](N)C(F)=C1CCCC1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O	19
COc1ncc(cc1C)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	21.6
Clc1ccc2c(c1)C1(NC(C)Cc3c1[nH]c1c3cc(c(c1)F)F)C(=O)N2	30
C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F	8.91
Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1	0.2
O[C@H](COc1ccc(F)cc1)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1	0.29
OCCN1CCN(CC\C=C/2\c3ccccc3Sc4ccc(Cl)cc24)CC1	4.0738
Oc1cc(-n2cccn2)ccc1-c1ccc(OC2CCNCC2)nn1	6
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4c(O)cnc5ncccc45)C3)C(=O)O[C@]12C	140
N[C@H]1C[C@@H](N2Cc3cnc4nnc(C5CC5)n4c3C2)CC[C@@H]1c1cc(F)c(F)cc1F	0.6
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@H]1CNCCO1)Cl	6.1
COc1ccc(cc1)C1CN(CC1CNC(=O)c1cccc(c1)Cl)CCc1ccc(cc1)OC	0.028
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@]12C[C@@H](C[C@H]1CCCC2)NC1CCOCC1	38.9
O=C1N(C[C@H](N1C1CCN(CC1)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)N)c1ccccc1)C1CCCCC1	2.8
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F	40
N#Cc1ccc(OC2CNC(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1	10
C[C@H](C1=C(CCN(C)C)Cc2cc(C)ccc12)c1cnccn1	0.36
O=C1OCc2cc(CCN3CCN(CCc4ccc(cc4)C#N)CC3)ccc12	0.4
O=C1COc2c(N1)cc(cc2)CCN1CCN(CC1)c1cccc2c1ccc(n2)C	0.0079
N1CCN(C1=O)CC[N@H+](CC2)CC[C@@H]2c3cn(c(c34)ccc(Cl)c4)-c5ccc(F)cc5	0.01
C[NH+](C)CCN1C(=O)[C@H](OC(=O)C)[C@H](c2ccc(cc2)OC)Sc(c13)cccc3	17.3
O=S1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	0.1
Fc1ccc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1	9.6
CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O	0.1
O=C1OCc2cc(CC(=O)N3CCN(CCc4ccc([N+](=O)[O-])cc4)CC3)ccc21	1.3
CC(c1noc(c1)CNCCN1CCC(=CC1)c1ccccc1)C	2
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCN2CCOCC2)c2ccc(OC(F)F)cc12	1.4
CC(C)(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2cn(-c3ccccc3F)nc2C1	8.1
COc1cc(F)ccc1-c1cncc(NCc2ccccc2)c1	5.2
Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1	10
CC(C)S(=O)(=O)Nc1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(F)cc1F	8.9
Fc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1	0
CCCCCCCCCCCCC/C=C/[C@H]([C@@H](NC(=O)C)CO)O	100
COc1cnc2c(c1)n(C[C@H](C1CCC(CC1)NCc1ccc3c(n1)NC(=O)CO3)N)c(=O)cc2	333
Cc1nc2ccc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c2s1	3.16
Cc1cc2nc(CC3CCCNC3)n(Cc3ccc(Cl)cc3)c2cc1C	0.5
COc1ccc2nccc([C@@H](O)CN3CCC(CC3)NCc3ccc4OCCOc4c3)c2c1	39.8
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCCc4ccccc4)C3)CC2)cc1Cl	0.4
CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c12	2398.8329
CC(S(=O)(=O)NC1COCC1c1ccc(cc1)c1cccs1)C	63
FC1CCN(C1)C(=O)C(C(C(=O)N(C)C)C1CCC(CC1)N(C(=O)c1cccc(c1)F)C)N	90
CC(C)c1ccc(-c2cc(CN3CCN(c4ccccn4)CC3)nn2-c2ccc(F)cc2)cc1	25.1
CC(C)COC[C@H]([NH+]1CCCC1)CN(c2ccccc2)Cc3ccccc3	0.0257
Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nn1)-n1cnnn1	33.7
Cc1ccccc1-c1nc2cn(-c3ccc(Cl)cc3)nc2c(=O)n1CC1CCCN(C(C)C)C1	3.5
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(=O)C	5.7544
CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12	20
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(c(Cl)c1)C(F)(F)F	10
CCOC(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)CC=C	3.7
OCC1CN(C(=O)O1)c1ccc(cn1)-c1ccc2N3[C@@H](COc2c1)[C@H](CO)OC3=O	40
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F	10.6
Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl	10.3
Clc1cc(Cl)cc2c1cc(c1c2cc(cc1)C(F)(F)F)[C@H](O)CC[NH+](CCCC)CCCC	0.0308
COc1cc(-c2cn(C3CCc4ccccc4N(CC4(C)COC4)C3=O)nn2)ccc1-n1cnc(C)c1	18.1
CC1(C)C[C@@H](NC(=O)c2[nH]nc3CCCc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl	30
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccccc2)-c2ccccc2)c1CCC(O)=O	3
O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(nc12)C1CC1	0.7
COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)CN(C(=O)C2CC2(F)F)CC4)cc1	4.9
COC(=O)N1CCC(CC1)CN1CCC(CC1)CNC(=O)c1cccc2c1nc([nH]2)C(C)C	10
O=C(C(n1c(nc2c1cc(F)c(c2)F)c1ccc(cc1)Cl)C1CCCCC1)Nc1ccc(cc1)C(=O)O	20
N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1cscn1	176.6
COc1ccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)cc1	4.1
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N	30
Cc1ccc(CCN2CC[C@H](CNC(=O)c3cc(C(C)C)no3)C2)cc1C(F)(F)F	1.9
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1C	52.4
CN1C(=O)CC[C@H]1CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C#N)c1	30
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnco2)c2ccccc2)C(C)(C)C1	10
CS(=O)(=O)c1ccc(OCC(F)(F)F)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N	2
Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4F)c23)no1	2.1
C[C@@H]1CN(CC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl	10
COc1ccc(cc1CO)c1ccc2c(n1)nc(nc2N1CCOCC1)N1C[C@H](C)O[C@H](C1)C	8.3
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCC2)o1	7.9
CNS(=O)(=O)Nc1nccc(c1F)Cc1c(=O)oc2c(c1C)ccc(c2)Oc1ncccn1	50
COc1cccc(NC(=O)c2cnc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)s2)c1	6.2
CC(C)c1noc(n1)C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1	1.6
Cc1cc(NCc2c(C)cccc2C)c2cccc(C(N)=O)c2n1	0.5
COc1cnc2ccc(=O)n(CCN3CCN(CC3)c3nc4ccccc4[nH]3)c2c1	7
COc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1	30
N#Cc1ccc(CCN2CCN(CCc3ccc4nonc4c3)CC2)cc1	0
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2cn[nH]c2C(F)(F)F)CC1	2.25
Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(CC1COCCO1)C	30
Cc1cc(N2C[C@@H]3CC[C@H](C2)[C@H]3Nc2nc3n(n2)CCCC[C@H]3c2ccc(F)c(F)c2F)ncn1	1.4
Fc1ccc(cc1)Cn1c2c(nc1NC1CC[NH2+]CC1)cccc2	0.028
O=C1N(CC[C@@H]1[NH+](Cc1cccnc1)Cc1n(cnc1)Cc1ccc(cc1)C#N)Cc1ccccc1	0.87
Cc1cnc(nc1)N1CCC(CC1)C1CCN(CC1)c1cc(nc(C)n1)C#N	1.8
COc1ccc(cn1)[C@@]1(N=C(N[C@H]1C)c1cc(ccn1)C#N)c1ccc(F)cc1	6.3
O(C)c1ccc(cc1OC)CC[N@H+](C)CCC[C@@](C#N)(c1ccc(OC)c(OC)c1)C(C)C	0.136
Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C	30
CS(=O)(=O)c1ccc(-c2noc([C@@H](CC3CC3)[C@H](N)C(F)=C3CCCC3)n2)c(Cl)c1.O=C(O)C(F)(F)F	7.1
Cn1cc(-c2cc(F)cc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O	1.6
FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl	0.89
C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N1CCOCC1)c1ccc(F)cn1	12
CC[C@@]1(c2cccc(C(N)=O)c2)[C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@H]21	2.2
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1	12.9
O=C(NC1CN(C1)C1CCC(CC1)n1ccccc1=O)CNc1n[nH]c2c1cc(cc2)C(F)(F)F	34
OC1(CNC(=O)C2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)CCCCC1	11.7
ONC(=O)C=Cc1ccc2c(c1)CN(C2)Cc1ccccc1	27.5
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1	0
OC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12	100
Fc1ccc(cc1C#N)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	0.1
COc1ccccc1CCNCC(=O)N1CCc2ccccc2C1C1CCCCC1	8.3
O=S1CCC(CC1)C1NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)c1ccccc1	0.1
C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O	3.2
COc1ccccc1CCN1CCC(CCc2ccccc2OCCF)CC1.Cl	0.43
O(C(=O)N1CCc2c(cccc2)[C@@H]1c1ccccc1)[C@H]1C2CCN(C1)CC2	0.27
COc1c(Nc2ncc(Cl)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc2c1CCC[C@@H](N1CCN(C)CC1)C2	7.9
C[C@H](CO)OC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(C#N)cn1	63.0957
C[C@@H]1CN(c2noc(C(F)(F)F)n2)CCN1c1ncc(OCc2ccncc2C#N)cn1	7.6
Clc1ccc(cc1)C(c1cccnc1Cl)OC1CN(C1)C(=O)N1CCCCC1	30.8
C[N+](C)(CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N	5.55
NC(=N)NCCC[C@H]1CN(C(=S)N1CCc1cccc(c1)F)[C@H](CNCc1ccccc1)C	10
O=C(N1C2CCC1CC(C2)S(=O)(=O)c1ccccn1)Nc1ccc(cc1)C(F)(F)F	10
Cc1nsc(n1)-c1nnc2[C@@H](CCO)N(CCn12)C(=O)c1ccc(F)cc1	50
COc1cccc(-c2cccc(C3(C)N=C(N)CCS3)c2)c1	11
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O	0
CCCCCCCN(CC)CC#CCCc1ccccc1	4.39
COc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1	10
CCc1c(C)[nH]c2CCCC(=NOC(=O)Nc3ccccc3)c12	30
COc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F	9.9
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCOC2=O)c2ccccc2)C(C)(C)C1	10
FC(CCN1CCc2ccccc2CC1)Cc1ccccc1	1.183
COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1cncc(n1)C(F)(F)F	7.6
Cc1nn(C2CCN(C(=O)[C@@H](C)O)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1	29
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)[C@H]1CCCN1.Cl	6.73
COc1ccc2C([C@@H](C)c3nccs3)=C(CCN(C)C)Cc2c1	22
FC(F)(F)Oc1ccc(CNC(=O)C2N(CC(F)(F)c3ccccn3)C(=O)c3ccccc23)cc1	9.7
CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Br	4.5
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cnc2[nH]ccc2c1	9.2
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1	6
CC(C)c1cc(OC(=O)C)c(C)cc1OCCN(C)C	20.893
O=C(C1SCCN1S(=O)(=O)c1ccc(cc1)C)NC1C2CC3CC1CC(C2)(C3)C(=O)N	100
COc1cc(CCN2CCN(CC(O)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N	9
Cc1nnc(o1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1	3.2
CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3cnc4ccccc4n3)c(=O)c12	5
Cc1nc2c(s1)[C@](N=C2N)(c1cccc(c1)c1cncnc1)c1ccccc1	7.5
CN(Cc1ccc(C(F)(F)F)cc1)c1cc(C(=O)Nc2ccccc2)ncn1	3.3
COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12	0
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)c1	100
O=C(NC1CN(C1)C1CCC(CC1)c1ccc(cn1)O)CNC(=O)c1cccc(c1)C(F)(F)F	10
N1C[C@@]2([C@@H](C2)C1)c1ccc(cc1)C	45.2
C[C@@]1(c2cc(CNC3(C(F)F)CC3)c(F)cc2F)CCSC(N)=N1	13.7
COc1ccc(cc1)C(=O)C1CCN(CC1)CCc1ccccc1	0.319
CCCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12	1.8
OC(CNC(=O)CC1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)CC1)C(F)(F)F	1
NC[C@H](Oc1noc2ccc(-c3ccccc3Cl)nc12)c1ccccc1	3.6
Clc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N	0.1
O[C@@H](COc1ccc(cc1)C(F)(F)F)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1	9.2
Cc1cc(-c2nnc(SCCCN3CC[C@]4(C[C@@H]4c4ccc(C(F)(F)F)cc4)C3)n2C)on1	0.2042
CO[C@H]1CN(CC[C@@H]1NCc1ccc2c(n1)NC(=O)CO2)CCn1c(=O)ccc2c1cc(OC)cc2	27
NC(=O)c1ccc(c(F)c1)-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC44CC4)n3)c2c1	1.1
Cc1[nH]nc2c1C(c1cc(-c3cccnc3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2	29
COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(F)(F)F	50
CNC(=O)c1cnc(N)c(O[C@H]2CN(C(=O)Cc3ccc(OC(F)(F)F)cc3)CC2(F)F)c1	88
COc1cnccc1[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F	20.2
COC(=O)[C@@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0.6
CS(=O)(=O)N1CCC(CC1)C1NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)c1ccccc1	3.5
Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1	10
COCCC(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)C1	5.8
Fc1cc(F)cc(c1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OCCCN1CCCC1C	0.5
OCc1ccc(cn1)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)OCCOCC(F)(F)F	15.8
CC(C)(C)c1cc(NC(=O)n2ccc3ccc(Oc4ncnc5c4CNC5)cc32)no1	21
CCCCCCCN(CC)CC#CCc1ccc(C)cc1	5.09
C(COc1ccc(cc1)-c1ccccc1)CN1CCCCC1	0.4
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C	11.9
C=CCOCC1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	5
COc1nccc(c1)C1CCC(CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	6.2
CC(=O)Oc1ccccc1C(=O)O	1000
CN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1	33
Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1C1CC1	8
Cc1cccnc1-n1nc(C)c(cc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1	30
Cn1cc(cn1)-c1ccc2c(c1)[nH]c1c(cnc(N[C@H](C3CC3)C(F)(F)F)c21)C(N)=O	3.4
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)NC	4.8
CN(CCc1sc2c(c1C(c1ncccc1F)C)cccc2)C	0.33
CCN(CC)Cc1ccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)cc1F	5.2
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccnc(c1)C#N	10
COc1ccc(cc1)N(C1CCN(CC1)C(CCNC(=O)c1c(C)cc(nc1C)Cl)C)Cc1cnccc1C	0.25
OC1C(c2cc(OCCCC(F)(F)F)ccc2OC1(C)C)N(S(=O)(=O)C)C	12.6
Cc1cc(-n2cnnn2)ncc1C(C)C(=O)N1CCN(CCc2ccc3c(c2C)COC3=O)CC1	42
Cc1ccc2c(c1)nc(CCN1C(=O)c3cccc4cccc(c34)C1=O)n2-c1ccncc1	4.7
O=C(C(n1c(nc2c1cc(F)c(c2)F)c1ccc(cc1)Cl)C1CCCCC1)Nc1ccc(cc1C)C(=O)O	0.7
COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1	40
Cc1cc2ncn(Cc3ccc(Cl)cc3)c2cc1C	7
Cc1cc2c3cc(F)ccc3[n+](c3c2c(c1)n(C)c1c3cc(cc1)F)C	1
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-c3ncco3)CC2)cc1	0
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N(C)C)c2ccccc2)C(C)(C)C1	10
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCO)c1ccc(Cl)cc1	57.793
COc1ccc2nccc(NC(=O)[C@@]3(O)CC[C@@H](CC3)NCc3cnc4OCCOc4c3)c2n1	52
Cn1c(SCCCN2C[C@@H]3[C@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1cccnc1C	0.39
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2nc[nH]c2c1)N1CCOCC1	32
Cn1ccc2c1cccc2N(C1CCNCC1)Cc1ccccc1	20
ONC(=O)C=Cc1ccc(cc1)CNCCc1c([nH]c2c1cccc2)c1c(C)noc1C	31.24
O=C(Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1)C1CCCCC1	25
CCOC(=O)c1sc2c(c1C)c(N)nc(n2)C=Cc1ccc(c(c1)OC)n1cnc(c1)C	0.98
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F	9.1
C[C@@H](N)C(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	4.92
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCCC(NC1=O)C(C)(C)C	44.2
O=C(c1cccc(c1)c1noc(=S)[nH]1)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	30
CC(C)(O)c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F	1.2
Fc1ccc(cc1)C(=O)N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1	0.1
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cnc2CN(CCc2c1C)C(CO)CO	12.5892
Clc1cc2[nH]c(-c3ccccc3)c(c2cc1)[C@@H]1C[NH2+]CC[C@H]1F	1.4
O=C1OCc2ccc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)cc21	32
CC(=O)N1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	9.8
Fc1cc2COC3(CCN(Cc4ccc(Nc5ccc(F)c(F)c5)cc4)CC3)c2cn1	0
CN(C)c1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1F	0
COc1ccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)cc1OC	2.5
CN(CCN1CCN(C1=O)c1cccc(Cl)c1)C[C@@]12CC[C@@H](CC1)C2(C)C	3.16
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(c(F)c2)C(F)(F)F)n1C	0.5333
CCCN(C(=O)c1ccccc1C(C)C)C1CNCC1	20
N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2	13
CCCCc1cc(OC2CCN(CCC(C)S(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl	0.1995
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2Cl)C1	10
COc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O	10
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(c1)C1CC1	3.5
F[C@H]1CN(C[C@H]1F)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1	54
CC(C)(C)c1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(c1O)C(C)(C)C	0.1
C[C@H](c1ccnc(Nc2nc3ccc(-c4cc(N(C)C)ncn4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1	4.7
Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1	1.817
CN1C(=O)N(CCCCC(=O)C)C(=O)c2c1ncn2C	23.9883
O=C(c1ccc(cc1)Oc1ccc(cc1)C#CC1(O)CN2CCC1CC2)NCc1ccncn1	50
CCC(C)c1ccc(OCCOc2ccc(Cl)cc2CNn2cnnc2)cc1	1.408
COc1ccc(cc1Cl)C12CC1CN(CCCSc1nnc(-c3ocnc3C)n1C)C2	2.2667
CN(C)c1nc(N)c(nc1Cl)C(=O)N=C(N)N	23.9883
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)N(C)C	9.7
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc2nccnc2c1	8.4
CC#Cc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1	1
Nc1nc2cc3CCN(CCc3cc2s1)C(=O)c1ccccc1	33
COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1	3.1623
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccns1	24
Cc1nc(-n2cnnn2)ccc1C(C)C(=O)N1CCN(CCc2ccc3c(c2C)COC3=O)CC1	3.4
CC(=O)N1CCN2CCCc3c(C)c4c(CC(C)(C)CC4=O)n3-c3ccc(C(N)=O)c(NC[C@H]2C1)c3	24.4
Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncc(Cl)cc1Cl	1.2
CNS(=O)(=O)CCN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	16
O=C(C(O)C)NC1CC(C)(C)Oc2c1cc(c1ccc(cc1)Cl)c(n2)c1ccc(cc1Cl)Cl	0.12
Fc1cc2c(nc1N1CC3(CNC3)/C(=N/OC)/C1)N(C[C@@H](C(O)=O)C2=O)C1CC1	218.0999
O=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ncnc4c3CNC4)ccc21	15.6
CCOc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1	30
O(C[C@H](O)CNCCC)c1ccc(O)cc1C(=O)CCc1ccccc1	107.2
N#Cc1ccc(COc2ccc([C@H]3CC[C@@H](C(N)=O)N3)cc2)cc1	7.9433
O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2cc(F)ccc2F)O1	3.6
Cc1cccc(c1)CN1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N	0.52
CCCCCCCN(CCCCc1ccc(cc1)N)CC	0.273
COc1ccc(cc1)[C@H]1CN(CCC2CCS(=O)(=O)CC2)C[C@@H]1CC(=O)Nc1cccc(Cl)c1	0.29
Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4sccc34)CC1)CCCC2F	6.13
CCS(=O)(=O)c1ccc2c(c1)nc(n2C[C@H]1CCCO1)C(C)(C)C	63
CCC12CCCN3CCc4c(C13)n(c5ccccc45)C(O)(C2)C(=O)OC	0.3467
NCCCC1(c2ccccc2)C(=NN2C1COc1c2cc(cc1)F)C(=O)C	0.94
N[C@@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(n1)Nc1cccc2c1nn(c2)C	30
CN(c1ncc(C(N)=O)c2sc(-c3ccccc3)cc12)[C@H]1CCCNC1	2.7
OCCNC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1	10
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2cccc(OC)c2F)cc(OC)n1	13
CNC(C)c1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F	3
CN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)nccn2	1.26
CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(C)=O	102.3
CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45	7.9
C[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N	1.7
CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1	8.6
COc1ccc(cc1[C@@H](O)C)c1ccc2c(n1)nc(nc2N1CCOC[C@H]1C)N1CCOC[C@H]1C	37.8
CC1(O)CN(C1)S(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	3.1623
COc1ccnc(c1)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1	6.3
O=C(NC1CCC(CC1)c1ccc(cc1)O)CCc1cccnc1	30
COc1cc(C(=O)N2C[C@@H](n3cc(C4CC4)nn3)C[C@H]2C(=O)NCC(c2ccccc2)c2ccccc2)ccc1CN	2.4
COc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12	3
Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O	100
CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(c1)C#N	0
COc1ccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc23)cc1	30
Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)oc1C	10
OCc1nccc(c1)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)OCC(F)(F)F	15.8
OC(=O)[C@H](Cc1cccc(c1)C(F)(F)F)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	6.3
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ncccn1	0
Cc1c(C(=O)CC#N)oc2ccccc12	0.03
CN(C)c1ccc(-c2cc3nccnc3c(NC[C@@H]3CNCCC3(F)F)n2)cn1	7.9433
Cc1cc(ccc1-c1ccnc(NCc2n[nH]c3nc(N)ccc23)c1)C#N	4.3
CC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1	1
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O	30
Fc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O	3.9811
C[N+]1([O-])CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12	133.3
Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3cccc(C(F)(F)F)c3)CC2)n[nH]1	2.7
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(OC(C)C)cc2)cc1	17
NC(=O)c1cccc(c1)S(=O)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	20
OC(=O)c1ccccc1C(=O)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	125
COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC	6.95
CS(=O)(=O)c1ccc2nc(N)n(CC(O)c3cccc(Cl)c3Cl)c2c1	33.3
CN1CCN=C1Cn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O	3.3
CC(C)N1CCN[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1	5.6
O1CC(=CC1=O)[C@@H]1CC[C@]2(O)[C@H]3[C@@H]([C@]4(CO)[C@](O)(C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C[C@H]4O)CC3)[C@@H](O)C[C@]12C	0.0152
COc1cc(ccc1N1CC[C@H](C1)O)n1cnc2c(c1=O)sc(c2)c1ccc(cc1)Cl	10
CC(C)[C@@]1(CC[C@H](C1)NC1C2CCCC1COC2)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F	1.25
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CCc1c(F)cnc2c1nc(OCCc1[nH]ccc(=O)c1O)cc2	0.9
CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F	1.41
Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	10
O=C(C1CC1)N1CCc2c(sc3c2c2ncnn2c(=O)n3Cc2ccc(Cl)cc2)C1	0.49
CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1cccc(c1F)Cl)C(=O)N	8.4
CCN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1	33
CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1	3.1
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCCC2)o1	6.3
O=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1	2.8
Nc1nc(N2CCC(N3Cc4cnccc4OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n[nH]1	17
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccn1	0.9
Fc1ccc2c(c1F)[nH]c(=O)cc2Cn1c(nc2c1nccn2)C1CCC1	30
COC[C@H]1Cn2cc(-c3nc(Nc4ccnn4C)ncc3C)cc2C(=O)N1Cc1cccc(C)n1	20
CN[C@H]1Cc2ccccc2[C@@H](C1)c1ccc(c(c1)Cl)Cl	2.32
CNCc1ccc(cc1Oc1ccc(Cl)cc1)C(F)(F)F	5.1
O[C@@H]1CCN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	31.6
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccnc1F	10
C[C@@]1(c2cc(CNCC3CC3)c(F)cc2F)CCSC(N)=N1	33
O(CCOc1ccccc1N(CC(O)=O)CC(O)=O)c1ccccc1N(CC(OCOC(=O)C)=O)CC(O)=O	1.31
CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1	10
CSc1ccccc1C(=O)N(C1CNCC1)CC1CCC1	20
Clc1cc(Cl)c2c(c1)[nH]c(c2)C(=O)NC1CCC(CC1)(C)C	30
Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1	1.597
Cn1cnc(c1)C(=O)N(Cc1ccc(c(c1)Cl)F)CC1C2C1CNC2	14.6
CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1	7.08
C[C@@H]1CN(CC[C@]1(C(=O)O)c2ccccc2)C3CCC(CC3)(C#N)c4ccc(F)cc4	8.9125
Cc1c(C(C)CN2CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)CC2)ccc2c1COC2=O	49
COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1nncc(c1)C(F)(F)F	31.3
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(OC(C)C)cc2C1	46.9
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)S(C)(=O)=O	33.3
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC1CCSCC1	23.1
Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1	0.5
O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1noc(n1)-c1ccccc1	7.5
Cc1ccc(cn1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C	1.58
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(C[S+](C)[O-])cc2F)cn1)c1nnc(o1)C(F)(F)F	30
OC(=O)c1cccc(c1)C1CCN(CC1)C1CCC(C1)(C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(O)(C)C	19.72
N#Cc1cccc(c1)C(C(NC(=O)C(Oc1ccc(cn1)C(F)(F)F)(C)C)C)Cc1ccc(cc1)Cl	14.2
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccccc3C#N)c2c1	2.1
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CC(O)C(C)(C)C2)cc1	10
OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2.OC(=O)c3ccc4ccccc4c3O	4.1687
Cc1ncoc1-c1nnc(SCCCN2CCc3nc4cc(ccn4c3CC2)C(F)(F)F)n1C	0.79
Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)cc1Cl	10
S(=O)([O-])(=NC(=O)c1cc(OC)c(cc1)Cc1c2cc(NC(OC3CCCC3)=O)ccc2n(c1)C)c1ccccc1C	25.1
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2ccc(cc2)C(F)(F)F)CC1	2.35
NS(=C)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1	100
CC(=O)Nc1ccc2cnn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1	33
CN1CCC(COCc2cc(cc(n2)C2CC2(C)C)C(F)(F)F)(CC1)c1ccc(F)cc1	9
O=C(Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1)c1ccccc1	19.9526
CN(C/C=C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCO2.Cl	12.1
Clc1ccc(cc1)-n1cc(NCCN2CCCCC2)nn1	3.1
Fc1ccc(cc1)C1(CNC(=N1)c1cc(ccn1)C#N)c1ccc(F)cc1	0.1
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ncc(C)s4)nn3c(N)nc12	47
COc1cc([C@](O)(CCN(C)C)[C@H](c2cc(OC(C)C)cnc2OC)c2cc3cc(C#N)ccc3nc2OC)cc(OC)n1	2.4
Cc1cc2nc(COC3CCCC3)n(Cc3ccc(Cl)cc3)c2cc1C	10
O=C(NC1CN(C1)C1CCC(CC1)c1ccc(cc1)CC(=O)N)CNc1n[nH]c2c1cc(cc2)C(F)(F)F	9.5
COc1cnc2ccc(=O)n3C[C@@](O)(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23	60
O=c1nc(N2CCN(CC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12	101.7
Cc1onc(n1)c1cccc(c1)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)ccc(c2)S(=O)(=O)C	2.51
CCC(CC)CNc1c(C(N)=O)cnc2ccc(C#N)cc12	2.3
CNCc1ccc(OC)cc1Oc1ccc(Cl)c(Cl)c1	0.69
O[C@@H](C(C[C@H](NC)C)(c1ccccc1)c1ccccc1)CC	12
CN1CCC(COCc2cc(cc(n2)N2CCC(CC2)C#N)C(F)(F)F)(CC1)c1ccc(F)cc1	7.7
CCOC1CN(CC1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)C1CCC(CC1)c1ccccc1	1
CNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(OC)nc1	11
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3c(cc2=O)C	60
OCCNCc1cccc(c1)c1ccc2c(n1)nc(nc2N1CCOCC1)N1C[C@H](C)O[C@H](C1)C	13
COC[C@H](C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1	6.9
CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12	3.2
Cc1cc(on1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F	10.1
OC(=O)CCNC1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21	63.0957
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN3CC(O)C3)CC2)CC1	33
CCCCN(CC)CC#CCc1ccc(Cl)cc1	2.65
CC(N)COc1c(C)cccc1C	10
Cn1cc(-c2ccc(OC3CCN(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)c2)cn1	3.8
CCCCC1(CCNC1)c1ccc2[nH]ccc2c1	4.4
CN(C)C(=O)c1cccc(-c2ccc(F)cc2CC(c2cccnc2)c2cccnc2)c1	26.4
O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	100
FC(F)(F)c1cc(cc(N)c1)CCN1CC(=O)N(CC1)[C@H]1CCc2cc(ccc2C1)CN(CC)CC	1.7
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2cc(ccc12)C#N	33
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1cc(OC)c(cn1)C(C)C	30
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N.Cl	3
O=C1[C@@H](CCc2c(N1CC(F)(F)F)cccc2F)n1nnc(c1)c1ccc(c(c1)OCC(F)(F)F)n1cnc(c1)C	1.3
COc1ccccc1N1CCN(C[C@@H](O)COc2ccc(cc2)C(F)(F)F)CC1	3.95
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccnc(N)c1	158489.3
COc1ccc2ncc(F)c(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2n1	3
Fc1ccc(c(c1)C)[C@@H]1CCN(CC1)C[C@H]1NCc2c(C1)cccc2	0.2
CCOC(=O)c1ccc(nc1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1	1.6
Oc1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1	1.6
CC(=O)Nc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1	60.7
COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4ccc(Cl)cc4)CO3)c2c1	2
CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3)CC2)c1	1.97
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1cnc(nc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F	40
CC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1	31.6
NCC1CN(C/C/1=N\OC)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O	300
Nc1cnc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1	132.8571
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccc(C)cc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O	3
COC1(CCOCC1)c1ccc(NC(=O)c2cc(=O)c3cc(F)cc(-c4c(C)nn(C)c4C)c3o2)cn1	95
COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2c1	100
CN(CCN1CCN(C1=O)c1cccc(c1)C(F)(F)F)C[C@@]12CC[C@@H](CC1)C2(C)C	6.3
CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1	33
COc1cc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1OC	0
COc1ccc(cc1)C1CN(CC1CC(=O)Nc1cccc(c1)Cl)CCCC1CCOCC1	0.37
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1	14
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1	22
O=C(O)CC1CCC2(CC1)CCN(c1ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cn1)CC2	5.4
Clc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1	1.9953
Cc1noc(C)c1-c1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1	31.2
Clc1cccc(c1)C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O	5.8
CC(C)(C)c1cc(NC(=O)c2cnc3cc(Oc4ncnc5c4CNC5)ccn23)no1	9.2
Cc1ncoc1-c1nnc(SCCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	0.5623
CNCc1ccccc1Oc1ccc(Cl)c(Cl)c1	3.88
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1	5
O=C(C(c1ccc(cc1)OS(=O)(=O)C(F)(F)F)(F)C)NS(=O)(=O)C	10
COC1COCCC1N(C1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(c1)C(F)(F)F)C	17
Cc1ncc(C)c(n1)C(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F	85
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1ccccc1	9
Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1	86.5
Fc1cnc2cc(Cl)cnc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1	0
Cc1nc(C)c(s1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C	1.15
Fc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1	10
CC(N(C)C)C1(CCCCC1)c1ccc2ccccc2c1	4
COCCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1cccc(c1F)Cl)C(=O)N	22
CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1	33
CCc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1	3.9811
Cc1nc2c3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Cl)cc2o1	1.58
FC(F)Oc1cc(ccc1OC(F)F)[C@@H](C=1C=C[C@@H](NC=1)C(O)(C)C)c1cc[n+]([O-])cc1	25.4
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCOCC2)CC1	1
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCCNc1nc2ccccc2[nH]1	50.1
O=C(NC1CN(C1)C1CCC(CC1)C(=O)N)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	32
COc1ccc(c2c1onc2N)c1ccc(cc1)NC(=O)Nc1cc(C)ccc1F	30
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@@H](CC2)C#C)c2cc(ccc12)C(F)(F)F	0.1
CCc1nc2c(n1[C@@H]1C[C@H]3CC[C@H](C1)N3CC[C@@H](c1ccc(cc1)F)NC(=O)[C@@H]1CC[S@+](CC1)[O-])cccc2	10
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccc(cc1)OC(F)(F)F	0.13
O=C(c1ccc(F)cc1F)N1CCN(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)C(=O)C1.O=CO	25.1189
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)Cc4ccc(Cl)c(Cl)c4	7.2444
COc1ccc(cc1)[C@H]1CN(CCCN(C)S(C)(=O)=O)C[C@@H]1CC(=O)Nc1cccc(Cl)c1	4.6
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)c1cc(ccc1Cl)S(=O)(=O)N	30
FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1F	6.5
Cc1nccn1CC(NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1	31.6
CCCCCCC[N+](C/C=C\Cc1ccc(cc1)Cl)(CC)CC	0.0015
COC(=O)Cc1ccc(cc1)CNC(=O)[C@@H]1CSCN1C(=O)C[C@@H](Cc1ccccc1F)N	9.7
Cc1ccc(-c2cc(S(C)(=O)=O)cc(S(=O)(=O)c3ccc(CN)s3)c2)cc1	4.6
COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(N)=O	50
CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)Nc2ncccc23)CC1	2.8
O=C(c1ccc(cc1)CNc1nccc(n1)c1ccccc1)Nc1ccccc1N	30
CC1(CC#Cc2c(Cl)c3c(Cl)cc(C(N)=O)nc3n2[C@H]2CCCNC2)COC1	0.005
CN1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCNCC5)cc4)n3)s2)CC1	28.2
COc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3C)CC2)ccc1C#N	2.1
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2[nH]cnc2C)CC1)c1ccc(cc1)C(=O)N(C)CC	33
Cc1cc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)sn1	7.4
CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1	5.27
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1cc(Cl)nc(Cl)c1	20.4
CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1	30
NC1CN(CCC1c1cc(F)c(cc1F)F)c1ccn2c(n1)nnc2	100
CS(=O)(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	50.7
Cn1c(SCCCN2C[C@@H]3[C@](C2)(C3)c2cccc(c2)C(F)(F)F)nnc1c1ocnc1C	3.16
NC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O	94.5
O=C(Nc1c(cccc1C)C)[C@@H]1[NH+](CCCC1)CC1CC1	20
CCn1nc(c2c1ccc(c2)C(F)(F)F)NCC(=O)NC1CN(C1)C1CCC(CC1)C(=O)OCC	7.6
OCC(=O)N1CCc2c(C1)sc(n2)c1ccc(cc1)OC1CC(C1)N1CCCCC1	30
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2F)C(F)(F)F)n1C	2.7333
C[C@H]1OC(=O)[C@]2(CCC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12	14.4
Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3cccc(O)c3)CC2)n[nH]1	0.15
NC1=NC2(CO1)c1cc(NC(=O)c3ncc(cc3Cl)C#N)ccc1OCC21CC1	10
NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3cccc(F)c3)[nH]c12	7.7
CC(C)OC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(Cl)cn1	63.0957
CC(C)(O)C(N1CCOCC1)c1ccccc1	60
CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C	80
Cn1cnc(-c2cnc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)c2)c1	4.5
C[C@H]1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)CN1	10.7
OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O	4.3
O=C1Nc2ncccc2C2(O1)CCN(CC2)C(=O)N[C@@H]1CC[C@H](Cn2c1ncc2C1(C)CCCO1)c1cccc(c1F)F	3.6
COc1ccc2C(N(Cc3ccccc3-c3ccccc3)C(=O)c2c1)C(=O)NC(C)(C)C	30
OCCNC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	63.1
c1ccc(cc1)CCN1CCC(CC1)Cc1ccccc1	0.079
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)c1cccnc1	30
CCCCCCCN(CC)C/C=C/Cc1ccc(Cl)cc1	0.005
CCOc1ccc(cc1)NS(=O)(=O)c1ccc(c(c1)C(=O)N1CCO[C@@H](C1)c1ccc(cc1)F)C	30
COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC(N)C2(C)C	44
NC1CC1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0.2
CN(Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1CN1CCCC1	5.1515
COc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F	12
CCOC(=O)c1cccc(n1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1	0.6
Cc1c(cc(-c2ccccn2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl	1.7
CNC(=O)CN1CCC(n2nc(C)c(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)c2C)CC1	12
C(c1ccccc1)C1(CCNC1)c1ccc2[nH]ccc2c1	9
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(CC(F)(F)F)c2ccc3CCCc3c2)nn1	1.49
CCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(C)cc3)cc2)CC1.Cl.Cl	17
CC(C)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)Nc2ccn(C)n2)c1	27
CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1	30
Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1	0.377
O=C1CCCN1C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1	2.5
COC(=O)c1ccc(COc2ccc3nc(N)sc3c2)cc1	10
NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1	1
CCOC(=O)c1ccnc(c1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1	1.2
C(C1CC1)N1CC2CN(CC3CC3)CC(C1)C21CCCC1	2.5
Clc1cccc(c1)N1CCN(CCN2[C@H]3CC[C@@H]2CCC3)C1=O	1.5849
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(Cc2ccccc2)Cc2ccccc2)nn1	0.87
ClC=1C=NNC(=O)C=1NCCC[NH+](CCc1cc(OC)c(OC)cc1)C	6.6
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC1CCOCC1	25.7
CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1	30
OC(=O)CCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	43.5
OC[C@@H](NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1	23.9
NCc1ccc(C(=O)N2C[C@@H](n3cc(C4CC4)nn3)C[C@H]2C(=O)NCC(c2ccccc2)c2ccccc2)cc1	0.5
CCc1sc(CCc2cc(cc(NC(C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C	0
CCCC(=O)N1CCc2c(C1)nc(C)n2[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)c1cccc(F)c1	6
NC1CCCN(C1)c1ccccc1/C=C\1/SC(=O)NC1=O	30
CN1CCC(COCc2cc(cc(n2)C#N)C(F)(F)F)(CC1)c1ccccc1	33
C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1	0.2
Fc1cccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)c1	0
Cc1cccc2CCCN(C(=O)CSc3ccc(Cl)cn3)c12	5
Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	31.6
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	17.7828
CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1cc(F)ccc1F)C(=O)N	26
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)\C(=N\OCOCCOC)C(C)C(O)C1(C)O	36.3
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)C3CCCCC3)CC2)c2ncccc2c1.Cl.Cl	0.0182
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1	69
Clc1ccc(cc1)C(=O)C1CC[N+](CC1)(C)CCc1ccccc1	0.093
N#Cc1c2n(C)c(=O)n(c(=O)c2n(c1N1CCCC(C1)N)CC=C(C)C)Cc1nc(C)c2c(n1)cccc2	6.7
COc1ccc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1	1.1
CC1(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc32)COC1	1.9
CC(c1nc(-c2ccc(S(C)(=O)=O)cc2Cl)no1)[C@H](N)C(F)=C1CCCC1.O=C(O)C(F)(F)F	19
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncnc1	43.8
CCOCC1(COCC)N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	0.176
O=C1OCCN1CCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1	31.12
O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCCCC1	63.1
OCc1cc(Cl)ccc1NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	3.3
Cl.O=C(CCc1ccccc1)c1cc(F)ccc1OCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1	4.84
CC(C1(CCC(C1)NC1CCOCC1)C(=O)N1CCN(CC1)c1nccc(c1)C(F)(F)F)C	0.3
ONC(=O)CCCCCCC(=O)Nc1ccc2ccnc(Nc3ccc(Br)cc3F)c2c1	40
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(cn1)C#N	13.4
CC(C)(C)CCN1CCC(CNC(=O)c2cccc(Cl)c2)CC1	4.8
OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2	1
Fc1ccc(nc1)-c1c[nH]c(n1)[C@H]1Cc2c([nH]c3ccccc23)C(N1)C1CCCCC1	0.17
Cc1ccn(-c2cccc([C@H](CC(=O)O)CN3CC[C@@H](CCc4ccc5c(n4)NCCC5)C3)c2)n1	39.8107
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cnc(C)[nH]2)CC1)c1ccc(cc1)C(=O)N(C)CC	33
Fc1cccc(c1F)CN1CCN(CC1)c1ccc2n(n1)c(nn2)C(F)(F)F	100
CCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1	1.7
CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CCc2ccccc2)C1	1.6
O=C(c1cccc(c1)S(=O)(=O)N(C)C)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	2
O=C(NC1CN(C1)C1CC[C@](CC1)(O)c1nccs1)CNc1nn(c2c1cc(cc2)C(F)(F)F)C(=O)N	31
N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1	40
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)c1cccc(c1)OC	30
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)C(=O)NC)nc2cc1Cl	10
FC(F)(F)c1cc(Cl)cc(COCC2(CCNCC2)c2ccccc2)c1	7.2
NC(=O)c1ccccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	0.3
O=C(C1SCCN1S(=O)(=O)c1ccccc1F)NC1C2CC3CC1CC(C2)(C3)C(=O)N	100
COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1	20
CC1CCCN1CCc1ccc(cc1)c1ccc(cc1)S(=O)(=O)N1CCOCC1	3.7
CCOC(=O)N1CCC(CN2CCC3(CN(C(N)=O)c4ncccc34)CC2)CC1	0.19
COc1ccc(S(=O)(=O)NCCc2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)cc1	11.49
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3o2)CC1	3.76
CCOC(=O)C(CC12CCC(NCc3ccc4c(n3)NC(=O)CO4)(CC1)CO2)c1c(F)cnc2ccc(OC)nc12	8.4
C[C@@H]1CC[C@H](Nc2ncc(C(N)=O)c3sc(-c4ccccc4)cc23)CN1	2.45
COc1cc(F)ccc1-c1cncc(c1)C1CCCN1	8.6
COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](F)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
N#Cc1ccc2nn(CCCCN3CCN(c4cccc5sccc45)CC3)c(=O)n2c1	1.05
CN(C)C(=O)N[C@@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1	33
Cn1cnc(-c2cnc(N)c(O[C@H]3CN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3(F)F)c2)c1	11
O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2ccc(F)cc2)Cn2c3c1c(F)cnc3ccc2=O	0.064
Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1	12.5892
NCc1c(C)nc2c(c1c1ccc(cc1Cl)Cl)CN(C2=O)c1ccc(cc1)C#N	1
O=C(N1CCC(CC1)CNc1ncccn1)OC1Cc2c(C1)cccc2	6.1
CNC(=O)c1cc(ccc1OC(F)F)c1ccc2c(n1)nc(nc2N1CCOC[C@H]1C)N1CCOC[C@H]1C	24.2
N#Cc1cnc(s1)Nc1ncnc(c1)N	10
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccccc3)c2c1	1.2
CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)ccc3C)cc12	5.8
CCN1C[C@H](CC1=O)N(Cc1cc(F)ccc1Cl)c1ccc(C#N)c(Cl)c1	3.1
COc1cc(ccc1NS(=O)(=O)c1ccc(cc1)C(C)C)[C@@]12C[C@@H]1CNC2	1.2589
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(C(O)=O)c(C)c1	23
N#Cc1c(N2CCCC(C2)N)n(c2c1n(C)c(=O)n(c2=O)Cc1nccc2c1cccc2)CC=C(C)C	9
COc1ccc(-c2cc(=O)c3ccccc3o2)cc1	21.9
Nc1ccc2c(c1)cc1c(c2)cccc1	100
CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C	21.8776
CNC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1	25.1189
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCCN(CC2)C2CCC2)cc1	7.3
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3nc4ccccn4c3CC2)n1C	2.5
Clc1ccc2c(c1)ncnc2N1CCC(CC1)CCNS(=O)(=O)N	3.4
CC1(C)CCN1Cc1cccc(F)c1CNc1cc(F)c(S(=O)(=O)Nc2cscn2)c(F)c1	22.2
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2Cc1ccncc1	1.5
COc1cnc2c(cn(Cc3ncnc(N(C)C)c3C)c2c1)C(=O)NCCO	33
Cc1[nH]nc(Nc2ccnc3ccc(S(=O)(=O)C(C)(C)C)cc23)c1C	15.5
CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1	100
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)c1cc(NS(=O)(=O)C)c(cc1F)F	100
COC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1	50.1187
CC1(C)N(CCn2c(Nc3ccc(F)c(F)c3)c(nc12)-c1ccc(F)cc1)C(=O)CN	30
CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F	6.5
CC1(C)CC(NC(=O)CCO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl	0.38
Brc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	2.8
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)C(=O)N1CCOCC1	11
CC(C)Oc1cc(n[nH]1)-n1cnc2cnc(N[C@@H](C)c3ncc(F)cn3)nc12	32
Nc1cccnc1[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F	8.3
COc1cnc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1	25.1
CN1CCCC(C1)c1nc2c(n1Cc1ccc(cc1)F)cccc2	0.72
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCC(=O)N2CCNCC2)cc1	23
N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ncccc4F)nn23)C1	2.8
COc1ccc(cc1)C1CN(CC1CCc1[nH]c2c(n1)ccc(c2)Cl)CCc1ccc(c(c1)OC)OC	0.016
Fc1ccc(cc1)CNC(=O)c1nc2n(c(=O)c1O)CCC[C@@H]2N(S(=O)(=O)N(C)C)C	20
CCOc1ccc(CCN2[C@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1	12.2
CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc(F)cc4)cc3c2=O)C1	1.3
COc1ncc(cn1)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)COCC(F)(F)F	15.8
ONC(=O)\C=C\c1ccc(CNCCc2c([nH]c3ccccc23)-c2ccccc2)cc1	1.48
N[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccc1	6.2
Fc1ccc(cc1)C1(CNC(=N1)c1cnccn1)c1ccc(F)cc1	3.4
CCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1	2.8
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2ccccc2C(F)(F)F)CC1	0.46
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O	30
Cc1ccc(CCc2cccc(CCc3ccc(C)cc3)[n+]2C)cc1	0
O=C([C@H](Oc1cccc2c1c(ncn2)Nc1ccc(c(c1)C)OCc1cnccc1C)C)N(C)C	8
S(=O)(=O)(NCc1ccc(cc1)CC(=O)N([C@@H](CN1C[C@H](O)CC1)c1ccccc1)C)C	10
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC	2.8
Fc1cnc2ccc(OCC(F)(F)F)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1	1.1
Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(CN6CCC(F)(F)CC6)cc5[nH]4)c3N)ccc2[nH]1	8.6
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCCCC2)cc1	4.8
CN1CCCCC1COc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O	0
C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCSC3)ccc-21	10
COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1C(F)(F)F	0
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2c1CCC2	3.8
COC(=O)N1CC(C(C1)C(=O)Nc1ccc(cn1)Cl)C(=O)Nc1ccc(cc1F)n1ccccc1=O	10
Clc1ccc(OC)c(c1)C(=O)NCCc1ccc([S+2]([O-])([O-])[N-]C(=O)NC2CCCCC2)cc1	74.13
CCc1ccc2oc(nc2n1)N1CCN2CCC1CC2	27
O=C1NC(=O)NC(=O)C1([C@@H](CCC)C)CC	131.82
OCCN1CCN(C(C1)C)c1cc2[nH]c(nc2cc1Cl)SC(C)(C)C	1.6
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)C#N	3.2
CC(=O)NCCc1ccccc1c1ccc(c(c1)Cl)[C@H]1CNCC[C@H]1c1ccn(c(=O)c1)C	5.8
FC(F)(F)c1cc(Nc2ccncc2)nc(NCc2ccc3OCOc3c2)n1	135
S1[C@H](NC=C1[C@@H](c1cc(OC(C)(C)C)c(OC(F)F)cc1)c1cc[n+]([O-])cc1)C(O)(C(F)(F)F)C(F)(F)F	61.4
CCCCn1nc(c2c1ccc(c2)C(F)(F)F)NCC(=O)NC1CN(C1)C1CCC(CC1)C(=O)OCC	1.4
CSc1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	6
CC(=O)c1nn(-c2ccc(C)cc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1	28.7
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O	0.1995
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ccncc1	13
O(CC[NH+](C)C)c1ccc(cc1)\C(=C(/CC)\c1ccccc1)\c1ccccc1	1.58
COc1ccccc1-c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1	0.4
Cc1ccc(N2CCN(CC(O)COc3ccccc3C(=O)CCc3ccccc3)CC2)cc1.Cl	4.31
COc1ccc(NC(=O)N2CCN(c3nc(N)nc4sc(-c5ccccc5)nc34)CC2)cc1	1.7
Cc1ccc([C@@H]2CN(C(=O)[C@H]3CC[C@H](CN)CC3)C[C@H]2c2ccc(C#N)cc2)cc1	12.1
CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1	25
C[C@@H]1CN(CC2(CC2)c2ccc(cc2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F	6.4
Cn1cnc(c1)C(=O)N(C1CC2C(C1)CNC2)Cc1cccc(c1)OC(F)(F)F	13.2
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C	30
Cc1ncoc1-c1nnc(SCCN2CC[C@@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	0.1349
CCN1CCN(Cc2cnc(-c3ccc(C(=O)Nc4ccccc4N)cc3)c(Cl)c2)CC1	8.3
O=C(N1CCC2(CCN(Cc3cccc4CCOc34)CC2)CC1)c1ccncc1	7.76
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccccc3)c2c1	5.2
CN1C[C@H](CC1=O)N(Cc1ccccc1F)c1ccc(C#N)c(Cl)c1	6.5
CCS(=O)(=O)c1ncc2c(c1)cc([nH]2)CC(C(F)(F)F)(CC(c1ccc(cc1C(=O)N)F)(C)C)O	30
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)CC2(C)COC2)cc1	16
N#Cc1ccc(O[C@@H]2[C@H]3[C@@H]4C[C@@H](CC4=O)[C@H]3C[C@H]2N2CCC[C@@H](N)C2)cc1	17
O=C(C1CCS(=O)(=O)CC1)N[C@H](c1ccc(cc1)F)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cncc2	10
FC1CN(CCC1CNC(=O)c1cc(Cl)cc(c1)Cl)CCC(C)(C)C	2.4
OC(=O)c1ccc(CN2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)cc1	31.6
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)C1CCc2c1cc1oc(=O)[nH]c1c2	25
F[C@H]1CN(CCn2c3cc(Oc4ccon4)cnc3ccc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1	100
Nc1ncnc2c1ncn2[C@@H]3O[C@@H]4COP(=O)([O-])O[C@H]4[C@H]3O	8.3176
CN(CCN1CCCCc2c1ccc(c2)NC(=N)c1cccs1)C	30
FC(F)(F)c1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1	8.6
CC(CC#N)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O	31
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)C/C=C/c1ccccc1	0.0057
CCN(C(=O)C1CN(C(=O)Nc2ccccc2)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC	30
C[S+]([O-])c1ccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)cc1	17.9
O(CC[N+](C)C)c1ccc(cc1)/C(/c1ccccc1)=C(\CC)/c1ccccc1	1.58
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ncccc2s1	100
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cn2cncn2)c2ccccc2)c1	31.6
Cc1cc(=O)oc2c(C)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12	0.226
O=c1c(O)c(-c2cccc(O)c2)oc2ccc(O)cc12	99.3
Clc1ccc(cc1Cl)[C@@H]1CNCC=CC1	21
COC[C@H](C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nc(C)ns2)c1	7.5
Clc1ccc(cc1)C(NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)CCN1CCCC1	21
CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@H]21	1.6
COc1ccc(cc1)C1CN(CC1CC(=O)Nc1cccc(c1)Cl)CCCN(S(=O)(=O)c1ccccc1)C	0.14
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1Cl	1
Nc1ccc(cn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1	190
Fc1cc2c(cc1N1CCNCC1)n1C(C)Sc1c(c2=O)C(=O)O	300
CC(C)N1C[C@H](NS(=O)(=O)C(C)C)[C@H](C1)c1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1	6.3
NC1=NC2(CO1)c1cc(ccc1OCC21CCC1)-c1cncnc1	5.3
CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3cncnc3)cc12	0.76
O=C1OCc2c1ccc(CCN1CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC1)c2C1CC1	12
COC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@H](OC)C2)CC1	10
Cc1cc2nc(\C=C\c3cccs3)n(Cc3ccc(Cl)cc3)c2cc1C	10
Brc1ccc2c(c1)c1CCCC(c1[nH]2)NC(c1ccccc1)C	1.7
CN(C)C(=O)CNCCc1cccc(OCCCC(F)(F)F)c1.Cl	18
O=C(c1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1	8.3
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cn(C)c2ccccc12	7.4
Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCOCC1	0.9
CCCCCCC#Cc1cccc(C#CCCCCCC)[n+]1C	1.99
Cc1cnc(cn1)N1CCC(CC1)C1CCN(CC1)c1cc(C)nc(n1)C#N	10.6
O=C(c1cccc(F)c1)N1CCc2oc(-c3ccc(F)cn3)nc2C1	74
N[C@H]1COC[C@@H]1Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	2.8
OC(=O)c1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	31.6
O=C(N(C1CNCC1)Cc1ccccc1c1ccccc1)C(C)C	3.02
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O	12
CN(CCNC(=O)c1ccc(cn1)C1(CCCO1)c1ccc(cc1)OCc1ccccn1)C	32
NC(=O)c1ccnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1	1
COc1ccc2c(c1)c(ccn2)C(CCC1CCN(CC1C(=O)O)CCSc1ccco1)O	10
CCNC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O	50
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@@]1(C)CC[C@@H](CC1)NC(=O)OC	4.9
Fc1ccc(c(c1)C1CN(CC1N)c1ccc(cn1)n1ccc(cc1=O)OCc1ccccc1)F	8.8
COc1ccc(c2c1onc2N)c1ccc(cc1)NC(=O)Nc1cccc(c1)C(F)(F)F	30
CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNCC3)ccc12	8.1
Cl.FCCOc1ccccc1CCC1CCN(CCc2ccccc2Cl)CC1	0.69
Cc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)cc(C)n1	1.5
NC(=O)[C@@H]1CC[C@H](c2ccc(Oc3cccc(F)c3)cc2)N1	7.9433
O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCN(CC2)c2ccc(cc2)C#N)c2ccccn2c1=O	0.39
COc1cc(C=Cc2nc(N)c3c(n2)cccc3)ccc1n1cnc(c1)C	0.14
CCN1C(=O)Nc2cc(Cl)c(Cl)cc12	6.7608
O=C(NC1CN(CC1O)C1CCC(CC1)c1ccccc1)CNC(=O)c1cccc(c1)C(F)(F)F	1
Cl.NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC(F)=C	3.98
Fc1ccccc1-c1c[nH]c([C@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCOCC3)N2)n1	0.495
OC(=O)CC(NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1	31.6
CCc1c(C2CCN(CC2)CCCSc2ccc(cc2)F)c2c(n1CC(=O)O)cc(cc2)F	0.04
CCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(=O)O)ccc2c1	50.1187
CC1CCN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1	6.4
CC(C)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)C(C)=O)c2ncccc2c1=O	8.9
FC(F)(F)Oc1cccc(c1)-c1cnc2ccc(NCC3CCS(=O)(=O)CC3)nn12	10
Cc1c(CNC2CCCC2)nn(c1-c1ccc(Cl)nc1)-c1ncccc1Cl	2.7
CCCOc1sc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c(C)c1Br	1
Clc1cccc(c1)OC1CN(C1)S(=O)(=O)c1ccc2c(c1)CCNCC2	3.69
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C1CC1	19
O[C@H]1C[C@H](CN2CCC(CC2)c2c(Cl)cccc2Cl)CCc2cccnc12	0.9
C[C@@H]1COCCN1c1nc2nc(ccc2c(n1)N1CCOC[C@H]1C)c1ccc2c(c1)c(=O)[nH]cc2	32
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)cnc3oc12	10
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1	3.6667
O=C(c1cc(F)cc(F)c1)N1CCN(c2ccc(OCCCN3CCCCCC3)cc2)C(=O)C1.O=CO	12.5892
N#Cc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OC1CCN(CC1)C1CCCC1	63
COc1ccc(cc1)c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)C(=O)C1CCCO1	27
COc1ccc2n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c(=O)ccc2n1	10
N[C@H](C1CCN(CC1)C(=O)c1cnc2n(c1C)nc(c2)C)Cc1cc(F)c(cc1F)F	18
O=C(N1Cc2ccccc2C1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12	3.5
CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=NC1c1ccccc1[N+](=O)[O-]	0.26
Cc1ccc(OCCCc2cc(N)cc(CCCOc3ccc(C)cc3)n2)cc1	0.146
COc1ccc2c(n1)c(ccn2)C(CN1CCC(CC1)NCc1ncc2c(c1)OCCO2)O	4
C[C@H](C1=C(CCN(C)C)Cc2cc(C)ccc12)c1nccs1	0.6
COc1ccc2c(n1)c(c(nc2)F)[C@@H]([C@@H]([C@@H]1CC[C@H](CO1)NCc1nnc2c(c1)SCCO2)O)O	100
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1Cl	1.6
Cc1ccc2cc(C(=O)c3cnn(-c4ccc5nc(C)[nH]c5c4)c3N)[nH]c2c1	6.9
Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3cccc(Cl)c3)CC2)n[nH]1	3.7
CS(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1ccccc1	0.29
Fc1ccc(cc1F)C(=O)Nc1cnc(Cl)nc1	30
Cc1cc(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C)CC1	20
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2occc12	1
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1C1CCN(C)CC1	11
C[C@@H](NC(=O)Cc1ccc(cc1)-c1nccnc1C)c1ccc(OCC(F)(F)F)cn1	30
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N	30
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N	30
Cc1nccnc1C(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F	55
CC(N1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N)c1ccncc1	1.4
O=C(NC(c1ccncc1)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1	1.9
COc1cc(C=Cc2nc3scc(C)c3c(=O)[nH]2)ccc1-n1cnc(C)c1	10
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1	0
CCOCC1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	5.6
Clc1ccc(cc1Cl)[C@@]12CCC[C@@H]1CNC2	5.28
COc1ccc2c(NC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1	15
OC(=O)CCNC(=O)N(C1CCN(CC1)[C@@H](CCNC(=O)c1c(C)cc(nc1C)Cl)C)Cc1ccsc1	40
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@H](O)C2)c(-c2cncnc2)c1	9.6
CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc5ncsc5c4)cc3c2=O)C1	2.4
s1cc(nc1\[NH+]=C(\N)/N)CSCC/C(=[NH+]/S(=O)(=O)N)/N	10
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(NC(=O)OC)cc1	0.9
Cc1cccc2CCCN(C(=O)CSc3ncccc3Cl)c12	10
Fc1ccc(nc1)c1ccc(cc1)C1COCC1NS(=O)(=O)C(C)C	63
CC(C)c1nc(no1)N1CCN([C@H](C)C1)c1ncc(OCc2ccncc2C#N)cn1	10
COc1cccc(-n2cc3nc(C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1	2.9
Cc1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1	3.12
COc1ccc2ncc(C#N)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0.37
O=C(NC1CCC(CC1)c1ccc(cc1)O)CCc1ccccn1	30
CCCCOc1ccc(Cl)c(OCCCC)c1/N=N/c1c(O)ccc2ccccc12	0.38
OC1(CNC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)CCCCC1	31.6
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC	0.012
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1c(Cl)ccc(c1Cl)S(N)(=O)=O)c1cccc(F)c1	52.4808
CN1C[C@H]2CCC[C@]2(C1)c1ccc(Cl)c(Cl)c1	5.4
FC1=C[C@@H]2C(=[N+](C=C(C(=O)[O-])C2=O)C2CC2)C=C1N1CC[NH2+]CC1	966.0002
CCC(=O)N1CCc2c(C1)nc(C)n2[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)c1cccc(F)c1	5
COc1cccc(n1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F	13.4
COc1ccc2nccc(CCN3CCC(NCc4ccc(Cl)c(Cl)c4)CC3)c2c1	1
COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1.Cl	50.1187
Cc1cc2n(C3CCN(CC3)C3CCOCC3)c(=O)[nH]c2cc1F	12.5892
COc1ccc(cc1)[C@H]1CN(CCCc2ccc(OC)c(OC)c2)C[C@@H]1CNC(=O)c1cccc(Cl)c1	0.2
COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1	1000
C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C	8
OC(=O)C1=CCCN(C1)C1CCC2(C1)Cc1ccccc1Cc1c2cccc1	40
CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1	100
O[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1	30
CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2ccc(C)cc12	30
CC(C)(C)CCN1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1	3
O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2cccnc2[nH]c1=O	22
Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1	3.5
Fc1ccc(C(OC2CC3CCC(C2)N3CCN2CCCCC2)c2ccc(F)cc2)cc1	5.15
CC(C)(C)NC(=O)NCCN1CCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1	6.6
OC(=O)[C@H](c1ccc(s1)C(=O)c1ccccc1)C	10
CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O	0.34
COC(=O)N(Cc1ccc2OCC(=O)Nc2n1)C12CCC(CCc3c(F)cnc4ccc(OC)nc34)(CC1)OC2	6.1
CCN(CCCc1ccccc1)CCCc2ccccc2	0.4786
COCCNS(=O)(=O)c1ccc(cc1)c1ccc(cc1)CCN1CCCC1C	7.3
CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O	30.903
C[C@H]1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)(C)C)on3)c2)CN1	11.1
CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12	32
CN(C)C(=O)c1ccc(c(F)c1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	32.5
CO[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1	124
C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1	24
O=C(Nc1ccc(Cl)cn1)[C@H](COCCO)Oc1ncnc2c1cnn2-c1ccccc1Cl	15.8489
CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2	4.6774
Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1	3.1623
COC[C@H](C)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1ccc(cc1C)-c1ccccc1CCNC(C)=O	9
Fc1ccc2c(c1)N1N=C(C(C1CO2)(CCCN1CCNCC1)c1ccccc1)C(=O)C	4.6
Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1	3.9811
COc1cccc(c1)C(=O)Cn1c(=O)c2n(CC=C(C)C)c(c(c2n(c1=O)C)C#N)N1CCCC(C1)N	1.6
Cc1ccccc1C1CCN(C[C@@H]2CCc3c(C)cccc3[C@@H](O)C2)CC1	0.086
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1	7.445
O=C(C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)NC(c1ccccc1)C	33.3
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc(Br)no1	0.88
O=C(C1CC1c1ccc(cc1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)c1nn[nH]c1	3.5
Clc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1Cl	0.79
CCOc1ccccc1C(=O)N(C1CNCC1)CC1CCC1	16.8
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(C)(C)C)C1=O	80
COc1cccc(c1)N1CCN(CCN(C)C[C@@]23CC[C@@H](CC2)C3(C)C)C1=O	1.99
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cccnc1C(F)(F)F	1.3183
CC(c1ccc(cc1)OS(=O)(=O)C(F)(F)F)C(=O)NS(=O)(=O)C	10
CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1	100
CS(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)S(=O)(=O)C1CC1	0.4
CNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	29
CN1CCC(CC1)c1ccc2nc(Nc3ccc(cn3)C(F)(F)F)[nH]c2c1	4.3
Fc1cc(F)cc(c1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OC1CCN(CC1)C1CCC1	63
OC(c1ccc(F)c(c1)C#N)(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(F)(F)F	10
CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)S(=O)C.OS(=O)(=O)c5ccccc5	1.9055
CNS(=O)(=O)c1cc(c(cc1F)Cl)C(=O)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1cccc(c1)F	19
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nc(=O)ccn2n1	100
Nc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCC3)cc2Cl)cc1	22
O=C(C1=CC(=O)c2c(C1)cc(c(c2)F)F)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	6.2
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccc3OCOc3c2)c2cc(ccc12)C(F)(F)F	0.8
CC1CCN(CCCOc2ccc(=O)n(-c3ccc(F)c(F)c3)n2)CC1	2.68
CC(C)(C)OCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	1.26
CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)NC(=O)CC)c1ccc(Cl)cc1	30
CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1	70
OC(=O)c1cc(CN2CCN(CC2)c2ccc(cc2)C#N)c2ccccn2c1=O	7.4
O=C1N(CC[C@@H]1[NH2+]CCc1n(cnc1)Cc1ccc(cc1)C#N)c1ccccc1	0.15
O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCCN1	1.4
C[C@@H]1OCC2(CCN(c3nc4[nH]nc(-c5ccnc(Cl)c5Cl)c4c(=O)n3C)CC2)[C@@H]1N	1.2
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2ccc(C)c(c2)C(F)(F)F)C1=O	80
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(C#N)c(C)cc4[nH]3)c2c1	10
Cc1[nH]c2ccccc2c1CCN1CCc2ccc(\C=C\C(=O)NO)cc2C1	2.7
COc1cccc(C(O)(CCN(C)C)C(c2cc3cc(Br)ccc3nc2OC)c2cccc3c2OCO3)n1	0.24
Cc1nc2cnccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	10
CCN(CC)[C@@H](C)CNC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1	0.718
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(C)c2)ncc1F	32
O=C(c1ccn2c1ccc(c2)Oc1ncnc2c1CNC2)Nc1n[nH]c(c1)C1(C)CC1	30
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2Cc1ccccn1	1.9
Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1	100
Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F	10
S(=O)(=O)(Nc1ccc(cc1)C(=O)NCC[NH+](CC)CC)C	50
C[n+]1c(cccc1C#CCOc1ccc(Cl)cc1)C#CCOc1ccc(Cl)cc1	31
NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c3ccc(cc3[nH]c12)-c1cnc(N)cn1	0.7
O=C1OC(CC)C(O)(C)C(O)C(C)C(=O)C(C)CC(O)(C)C(OC2OC(C)CC([N+](C)C)C2O)C(C)C(OC2OC(C)C(O)C(O)(C)C2)C1C	147
Fc1ccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c2c1	4.4
CS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)S(C)(=O)=O	0.9
N#Cc1ccc(N2CCC(Nc3cc(Nc4cnccn4)ncc3C(N)=O)CC2)nc1	7.7
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H](C)C2)cc1	2.5
CNC(=O)c1cccc(c1)c1ccc2c(n1)nc(nc2N1CCOC[C@H]1C)N1CCOC[C@H]1C	47.5
CN(CCc1ccc(cc1)NS(=O)(=O)C)CCOc1ccc(cc1C(=O)N)C	0.081
COc1ccc2ncc(F)c(CC(O)(C(F)(F)F)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	2.4
CN(C)Cc1cc(OCCCN2CCCCC2)ccc1Nc1ncnc2ccccc12	10
Cc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC21	0.3162
Oc1cc2ccn(c2cc1Oc1ncnc2c1CNC2)C(=O)Nc1noc(c1)C(C)(C)C	28
CC(C)Oc1cc([C@@](Cc2ccccc2)(NC[C@@H](O)C(F)(F)F)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F	21
Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)cc(OCC(C)(C)O)n1	18
Clc1cccc(c1)Nc1nc2cc(ccc2c2c1ccnc2)C(=O)O	134
CCOC(=O)c1nn(-c2ccc(C)cc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1	9.3
Fc1cccc(c1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1	6.1
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F	6.9
C[C@@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C	28
C[C@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2=O)cc1.O=CO	12.5892
CC#CCn1c(N2CCC[C@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12	30
COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21	10
C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C1CC1	4.3
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3C=Nc4ccccc34	5.6234
CN(C)c1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(C)c1Cl	20
CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1	68
COc1ncc(cn1)-c1cccc(OC(F)F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1	3.9811
CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(C)c2Sc2ccc(Cl)cn2)cc1	37
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4cccc(F)c4)cc23)CC[C@]1(C)N	7.6
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CC(C)(C)CCNC1=O	20.8
CCCCC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1	36
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1	9
N#Cc1ccc2c(c1)CN(C1CCN(c3n[nH]c(N)n3)CC1)[C@@H](Cc1ccc(Cl)cc1)CO2	23
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12	1
COc1ccc(cc1)C1CN(C(=O)N1CCc1ccc(cc1)OC)NS(=O)(=O)Cc1ccccc1	4.4
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F	9.4
CN(Cc1ccc(F)cc1)c1cc(C(=O)Nc2nncs2)ncn1	4.2
NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N	9
CN([C@H](CO)CCC(=O)NCCF)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1	33
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(OC)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	32
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3F)C2)n1C	0.6918
CC(C)N(C(C)C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12	6.8
Cn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(OC(CF)CF)c2)n1	28
CCC[C@@H](CCO)Nc1nc(N)nc2ccc(F)cc12	9.3
C1CCN(CC1)C1CCN(CC1)c1nc2ncc(cc2s1)-c1cncnc1	23.3
COc1cc(F)ccc1-c1cc(CNC2CCCC2)ccn1	3.27
NCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	8
CN1CCN(CC1)c1cc2c(cc1OC(C)C)ncc(c2Nc1ccc(cc1F)F)C(=O)N	28
O=C(CCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2c3c(c1)CCN3C(=O)CC2	2.9054
CC(N1CCCC(C1)Cn1c(C)nc2c(c1=O)nc(cn2)Oc1ccc(c2c1nccc2)F)C	33
O=C1CCc2cc(C(O)CCCN3CCC(c4noc5cc(F)ccc45)CC3)cc3c2N1CC3	1.8996
CO[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1	30
c1cnc2c(N3CCN(CCCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1	1
Nc1nc2cc3CCN(Cc4ncon4)CCc3cc2s1	33
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)c1ccc(c(c1)S(=O)(=O)N)Cl	63
C(CN1CCCCCC1)Nc1cn(Cc2ccccc2)nn1	10
Cl.COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0.6
FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)Cc2cc(Cl)cc(Cl)c2)C1=O)c1ccccc1	4
CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CCNC5)ccc32)no1	7
COc1cc2CCN3C(Cc4ccccc4)c4c(CC3c2cc1OC)ccc(OC)c4OC	14
N#Cc1ccc(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)cc1	0.42
O=C1OC2(CN1c1ccccc1)CCC(CC2)c1nc2c([nH]1)cc(cc2)C(F)(F)F	4
COc1cc2nc(nc(N)c2cc1OC)N3CCN([C@@H](C3)C(=O)NC(C)(C)C)C(=O)OCc4ccccc4	15.4882
CCOC(=O)C1(C)Oc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(OC)nc56)(CC3)OC4)nc2NC1=O	3
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(Cc3nc4ccccc4o3)cc2)CC1	5.98
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cccc(-c2ncco2)c1	0.1202
O=C(O)C[C@@H]1COC2(CCN(c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)CC2)C1	4.4
CCc1oc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)nc1C	8.3
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1	1
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1	54
COc1cnccc1C1CCC(CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	8.2
ONC(=O)C=Cc1ccc2c(c1)CN(C2)C(=O)OC(C)(C)C	30
CC1(C)Oc2ccc(NC(=O)c3ncc(Br)cn3)cc2C2(COC(N)=N2)C11COC1	10
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1	9
C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	34.86
CC(=O)NCCc1ccccc1c1ccc(c(c1)C)[C@H]1CNCC[C@@]1(O)c1ccc(c(c1)F)F	4.2
O=C(NCc1cccc(c1)CN1CCCC1=O)NCC(c1ccccc1)c1ccccc1	30
CN(C)C(=O)N1CC(=C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F	7.1
O=C1COc2ccc(CNC3CCN(CCn4c5nc(Oc6ccon6)ccc5ccc4=O)CC3)nc2N1	100
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)C1CCCC1	30
OCCn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2nccs2)c2cc(ccc12)C(F)(F)F	50
COc1cc(C=Cc2nc3cc(Cl)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1	10
CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)C2)COC1	3.5
CCOC(=O)C1=C(CN2CCOCC2)NC(c2ccccn2)=NC1c1ccc(F)cc1Br	3.8
O=C(C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)NC(c1ccc(cc1)S(=O)(=O)C)C	33.3
CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)c1[nH]ncc1-c1ccncc1	0.1
OC(=O)[C@]12CC3CC(C2)[C@@H](C(C1)C3)Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)c1ccccc1	100
COc1cc(CNCC2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC	0
O=C(c1ccncc1)N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)CC2)CC1	0.0209
[nH]1c2c(cccc2)c(c1-c1ccccc1)C1C[C@@H]2N([C@H](C1)CC2)c1ccccc1	0.018
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)c(Cl)c1	42
Cc1nc(c(o1)c1nnc(n1C)SCCCN1CC[C@@H]2[C@](CC1)(C2)c1ccc(cc1)C(F)(F)F)C	1.26
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCCN2CCCC2)cc1	100
OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N	30
C[C@H]1[C@@H](Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1	0.4
CC(CN(C(=O)c1cccc(c1Cl)C(F)(F)F)C1CNCC1)C	4.12
CN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1	39
COc1cc2c(cc1CCN1CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC1)COC2=O	5.6
Fc1ccc(cc1)C[nH0]1c2ccccc2[nH0]c1NC1CC[N+]CC1	0.028
CCc1ccccc1Oc1cc(C)ncc1CN(C)C	20
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1onc(c1C)-c1ccc(Cl)cc1	2
CC(C)c1nc(Nc2cc(NCCN)nnc2C(N)=O)ccc1F	7.9
CCN(CC)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1	30
COCc1ccc(-c2cc3c(cc2F)ncc2c3n([C@H]3C[C@H](OC)C3)c(=O)n2C)cn1	8.9
CC1CCCN1CCCOc1ccc(cc1)c1cn[nH]c(=O)c1	9.5
Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1	36
CCc1n[nH]c(CC)c1Oc1cc(cc(c1)C#N)C#N	9.8
COc1cc([C@](O)(CCN(C)C)[C@H](c2cc(OC)nc(OC(C)C)c2)c2cc3cc(C#N)ccc3nc2OC)cc(OC)n1	10.6
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1nc2ccccc2s1	6.2
COc1ccc(CCN2[C@H](CN(NS(=O)(=O)CC#N)C2=O)c2ccc(OC)cc2)cc1	33
CN(C)C1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1	38
Oc1ccc(CNC(=O)C2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c(Cl)c1	1.55
C[C@H](Nc1nc(Nc2ncc(s2)C#N)cc(n1)N1CCOCC1)c1ccc(F)cn1	32
Cn1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)n1	33
CC(C)(C)c1ccc(cc1)C(=O)NCC1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1	0.8
COc1cc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)cnc1-n1cnc(C)c1	1.8
O=C(CCc1c[nH]nn1)NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1	8.8
N#Cc1ccc2cc1Oc1ccc3c(c1)[C@@H](CCC3)N1CC[C@H](NCc3cncn3C2)C1=O	12
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@@H]1CNCCO1)C#CC1(O)CCCC1	16
OCCn1nc(c2c1ccc(c2)C(F)(F)F)NCC(=O)N[C@@H]1CN(C1)[C@@H]1CC[C@H](CC1)c1ccc2c(c1)OCO2	7.6
CN(Cc1ccccc1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1	30
Fc1cc(OCCCC2CC2CCCC2CCN(CC2)c2ncc(Cl)cn2)ccc1C(=O)NC1CC1	30
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)-c1cc(=O)[nH][nH]1	17
COc1cc(ccc1n1cnc(c1)C)c1nnn(c1)[C@@H]1CC[C@@H]2[C@H](NC1=O)CCCC2	20.8
O=C1CN(C(=O)N1CC1CC1)Cc1ccc(cc1)c1ccc(c(n1)CN1CCCCC1)F	10
COc1cnc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)cn1	43
CC(=O)N1C[C@H](O)C[C@H]1C(=O)O	9.3325
OCCNCCN1CCCc2c1ccc(c2)NC(=N)c1cccs1	30
CCOc1cc2ncc(c(c2cc1N1CCN(CC1)CC)Nc1cccc(c1Cl)Cl)C(=O)N	3.2
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnc(C)s4)nn3c(N)nc12	17.88
O=C(NC1CCN(C1)C1CCC(CC1)(O)c1ccnnc1)CNC(=O)c1cccc(c1)C(F)(F)F	30
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCCN2CCCC2)cc1	100
S(=O)(=O)(N1CC[NH+](CC1)C)c1cc(C2=NC(=O)C3=[N+](N=C(C3=N2)CCC)C)c(OCC)cc1	100
Oc1ccc2CC3N(CC4CC4)CCC56C(Oc1c25)c7[nH]c8ccccc8c7CC36O	1.3183
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NCc1ccc(Cl)cc1	5.2
FC(F)Oc1ccccc1CC(N1CCNCC1)c1cccc(F)c1	8.2
N1CCC(CC1)N(c1cccc2c1ccs2)Cc1ccccc1	10
CC1CCCN1CCCOc1ccc(cc1)n1c(C)nc2c(c1=O)cccc2	6
CN(C/C=C/c1ccc(C(F)(F)F)cc1F)Cc1ccc2c(c1)CCO2.Cl	2.9
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1.[I-]	2.5119
OC(=O)c1cccc(c1)C1CCN(CC1)[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1COc2ccc(cc2C1)C(F)(F)F	29
CN\C(=C\[N+](=O)[O-])\NCCSCc1csc(CN(C)C)n1	19.4984
Cn1c2c(C#N)c(N3CCC[C@H](N)C3)n(Cc3ccccc3)c2c(=O)n(C)c1=O	4.3
COc1cncc(Cc2cc(-c3ccccc3)no2)c1	23
Cc1ncoc1-c1nnc(SCCN2CC[C@]3(C[C@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	0.3162
OC1CCN(Cc2ccc(OC3CCN(CC3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1	31
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC1CCOCC1	3.1
O=P(N(Cc1ccccn1)Cc1ccccn1)(c1ccccc1)c1ccccc1	33
Cc1ncccc1C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O	10
CC1CCCN1C(=O)c1ccc(cc1)c1ccc2c(c1)CCN(C2=O)CCN1CCCC1	10.5
COc1ccc2C(Cc3cnccn3)=C(CCN(C)C)Cc2c1	2.1
Clc1ccccc1CN1CCN(CCN2Cc3ccccc3C2)C1=O	1.9953
CN1Cc2ccccc2[C@H](c2ccc(F)cc2F)N=C1CCc1ccc(NS(C)(=O)=O)cc1.Cl	85
Clc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1	0
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cccnc2)CC1)c1cccc(NC(=O)C2CCC2)c1	28
CCc1cc(CNC(=O)CNCC(=O)N2CCN(CC2)C(c2ccc(cc2)Cl)c2ccccc2)cc(c1CC)CC	19.2
O=C(NC1CN(C1)C1CC[C@](CC1)(O)c1cccnc1)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	24
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)S[C@]1(C)CCC(CC1)C(=O)NC	10
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(CCO)CC1	14
O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12	9
COCCS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1	7.4
Clc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1	1.6
COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N	3.2
N#Cc1ccc(cc1)N1N=C(C[C@@H]1c1ccc(cc1)c1ccc2c(c1)oc(=O)[nH]2)C(=O)O	30
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCN(C)CC1)N1CCOC[C@@H]1C	32
COc1ccc(cc1)[C@H]1CN(CCCN2CCCC2=O)C[C@@H]1CC(=O)Nc1cccc(Cl)c1	1.26
Clc1ccc(cc1)-c1sc2c(N=CN(C2=O)c2cc(OC)c(N3C[C@@H](O)CC3)cc2)c1	4.47
CN(C)C(C(=O)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1)C(O)(C(F)(F)F)C(F)(F)F	16
COc1ncc(nc1)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)COCC(F)(F)F	12.6
CCOC(=O)CNC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2COCCn12	10
CC(C)Cc1cc(CNC(=O)C2C3CN(CCC(C)(C)C)CC32)nn1-c1ccccc1	2.6
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2cccc(F)c2)-c2ccc3OCOc3c2)c1CCC(O)=O	3
CN1CCOc2c1cnn1c(-c3ccc4cccc(NCC5(F)CCNCC5)c4n3)nnc21	19.7
CN(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1	0
C[C@]12C[C@H](CC(C1)c1ccccc1)N(CCN1CCN(C1=O)c1cccc(Cl)c1)C2	0.0631
Cc1cnc(NC(=O)c2cc(Oc3ccc(C#N)cc3)c3cc(C)oc3c2)cn1	4
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CCOCc12)c1ccc(cc1)C(F)(F)F	1
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(=O)n(C)n2)C3)ccc2c1COC2=O	4.5
Fc1ccc2c(c1)onc2C1CCN(CC1)CCCCNS(=O)(=O)c1ccc2c(c1)ccc(c2)Cl	20
CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1	33
Cc1ccc2nc(CN3CCCC3)n(Cc3ccc(Cl)cc3)c2c1	0.7
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccns2)C3)ccc2c1COC2=O	1.4
O=C1CCc2ccccc2N1OCCN1CCC(CC1)n1c2ccccc2[nH]c1=O	9.3
CCNCCc1cccc(c1)C(F)(F)F	537
Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CS1)C(=O)Cc1ccc(nc1)-n1cnnn1	8.9
CCC(c1ccccc1)NC(=O)c1c(CS(=O)C)c(nc2c1cccc2)c1ccccc1	33
Cc1ccccc1[C@H]1C[C@@H](NCc2ccc(Cl)cc2)CC[C@@H]1C(=O)N1CC(c2ccccc2)(c2ccccc2)C1	0.003
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)-c2nc3ccccc3o2)nn1	10
N#Cc1c(N2CCCC(C2)N)n(c2c1ncn(c2=O)Cc1ccnc2c1cccc2)CC=C(C)C	4.2
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1)C(=O)OC1(COC1)C(F)(F)F	11
Cc1ccc(cc1)COC(=O)N1CCC(CC1)CN(c1ncccn1)C	10
O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)c(C(F)(F)F)c4)CC3)ccc21	5.1
COc1ccc2ncc(F)c(CC(NS(C)(=O)=O)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	3.3
N#Cc1ccc2c(c1)n(CCN1CCC(C(C1)O)NCc1ncc3c(c1)OCCO3)c(=O)cc2	117
Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccc(=O)n(C)c1	1.26
NC1=NC2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1	10
Cc1cc(nc(C)n1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl	10
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1cccs1	3.7
COCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1	15.8
O[C@H](CNC(=O)c1c[nH]c(=O)c2ccc(F)cc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	1.2589
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(Cl)cc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	6.5
N#Cc1ccc(N2CCC(Nc3cc(Nc4ccncn4)ncc3C(N)=O)CC2)nc1	17
Clc1cc2OCCOc2c(c1CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O)Cl	30.4
Cc1cn(cn1)-c1ccc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)cn1	10
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCC(N(C)C)CC1	21
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1	2.5
N[C@H]1Cn2c(nc3cnc(C(F)(F)F)cc32)C[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	57
Cc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)cc(C)c1C#N	28.9
CS(=O)(=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1	0.1
Nc1nc2c(cc(Cl)cc2o1)C(=O)N[C@@H]1CN2CCC1CC2	4.8
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccc(F)nc4)cc23)CC[C@]1(C)N	35
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nc(nc2ccc(cc12)C(F)(F)F)C(F)(F)F)c1cncs1	32.7
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2ccnc(OC)c2OC)cc(OC)n1	2.6
COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1Cc1ccccc1)C(C)C	14.5
[O-][S@@+]1CC[C@H](CC1)C(=O)N[C@H](c1ccc(cc1)F)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cc(F)cc2	10
COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2	0.6918
Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1C1CCCCC1	0.1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCCC2c2cccnc2)c1	3.08
O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CC(c1ccccc1)c1ccccc1	7.4
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(ccc23)S(C)(=O)=O)CC1	1.9953
COc1cc(C)c2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0
Cn1c(SCCCN2C[C@@H]3[C@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccnnc1	0.47
CN1CCN(CC1)c1cc2[nH]c(Nc3cc(C4CC4)c(F)c(C)n3)nc2cn1	8.8
O[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1	10
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)CO)c1ccccc1	6
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCOCC2)o1	19.9526
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)cc1	21
CCn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4CNCCCO4)cc3)cc21	31
O=C(N1CCC(CC1)CNc1ncccn1)OCc1ccccc1	10
COc1cc(ccc1OC)C1CCN(CC1)CC[C@@H]1CCOc2c1cccc2	1
COc1cnc2ccc(=O)n(CCN3CC[C@@H](NCc4cnc(C)c(c4)C#N)[C@@H](F)C3)c2c1	90
Fc1cc(ccc1[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C)C(F)(F)F	0.46
CC(C)(O)COc1ccc(C(N)=O)c(O[C@@H]2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2F)c1	38
CC[N+]1(C)Cc2sc(NC(=O)Nc3ccc(Cl)cc3)c(C(N)=O)c2C1.[I-]	3.29
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1nnc(o1)C(F)(F)F	18
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)nc(c1)N1CCCC1	2.3
Cc1cc(C(NC(=O)[C@@H]2CC[C@@H](N3CCOCC3)C[C@H]2c2ccc(Br)cc2)c2ccc(Cl)cc2)ccn1	1.5
O=C(c1ccc(cn1)C1(CCCO1)c1ccc(cc1)OCc1ccccn1)NCC(O)(C)C	32
Cc1c(CNC2CCCC2)nn(c1-c1cccnc1)-c1ncccc1Cl	23
CN(CCCC(=O)NCCO)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1	33
Oc1ccc2CNC(CN3CCC4(CCc5ccccc45)CC3)Cc2c1	0.3
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(F)c2)nn1	2.7
COc1c(C)cc(cc1C)[C@@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1	33
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)N2CCCC2)c1	0
Fc1ccccc1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21	20
CCNC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	0.21
Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1	5.6234
CS(=O)(=O)c1ccc(cc1)-c1cnn2ccc(cc12)-c1cccc(c1)S(C)(=O)=O	33
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(CC(F)(F)F)c2cccc3ccccc23)nn1	0.8
CC(=O)NC(c1cccc(c1)F)CCN1C2CCC1CC(C2)n1c(C)nc2c1CCN(C2)c1ccncn1	0.01
Fc1cc2[nH]c(-c3c4c(ccc3)cccc4)c(c2cc1)[C@@H]1C[NH2+]CC[C@@H]1F	0.11
Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4cc(C)ncn4)CC3)nc2s1	6.9
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc2CCOCc2c1	16
COc1ccc(cc1)C(CCCN)(c1ccccc1)c1ccccc1	6.6
CC(CN(C(=O)c1ccc(c(c1)Cl)Cl)C1CNCC1)C	17.199
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1C#N	0
Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl	80
COc1cc(C=Cc2nc3cc(ccc3c(=O)[nH]2)C(F)(F)F)ccc1-n1cnc(C)c1	0.87
Nc1ncnc2c1c(-c1ccc3cc[nH]c3c1)cn2-c1ccc(OCCNCCO)cc1	2.8
O=C(c1ccccc1)C1CCN(CC1)CCc1ccccc1	0.209
CC(C)N1CC[C@H](C1)N(C)C(=O)c1ccc(Cn2c(C)nc3ccccc23)cc1	30
O[C@@H](CC[C@@H]1[C@H](N(C1=O)c2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4	19.0546
Fc1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1	0
Fc1ccc(cc1)[C@H]1OCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)C1CCc2c(C1)cccc2	8.93
NCCCCn1cc(-c2ccc3cc[nH]c3c2)c(C(F)(F)F)n1	1.9
CN(C)C(=O)CNCCc1cccc(OCCCC(F)(F)CF)c1.Cl	15
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(C)CC[C@@](C)(O)CC1	20
CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1	7.3
O=C(N)C[C@H](NC(=O)c1[nH0]c2ccccc2cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N+]1C[C@@H](CCCC[C@@H](C[C@H]1(C(=O)NC(C)(C)C))1)1	15.3
CC1(C)Oc2ccc(Br)cc2C2(CSC(N)=N2)C11COC1	10
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@@]1(C)CC[C@@](C)(O)CC1	3.1
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4cc3F)c2n1	1.3
O=C(N1CCC2(CC1)C(=O)Nc1c2cccn1)N[C@@H]1CC[C@H](Cn2c1ncc2CC(F)(F)F)c1cccc(c1F)F	8.7
CCN(CC(COc1ccc(cc1)NS(=O)(=O)C)O)CCc1ccc(c(c1)Cl)Cl	0.17
C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@](CCC(N)=O)(c2ccc(F)cc2)OC1=O	5.3
CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1	1.9
Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C	1.9953
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1cccc(F)c1	1.5849
CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@@]2(O1)C(=O)CO	29.5121
Fc1c(c2c([N+](=C[C@@H](C(=O)[O-])C2=O)C2CC2)cc1N1C[C@H]([NH2+]CC1)C)C	66.07
Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N	0.17
COc1ccc(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O	4.3
CC(C)CN1CCC(COc2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)c(F)c2)CC1	3.7
Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1	20.4
CNC1CCCC(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1.Cl	33
CCCc1nc(Nc2cc(NCCN)nnc2C(N)=O)ccc1OC	10
CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c2n1	34
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccc(OC)nc2)n2CCOCc12)c1ccccc1	10
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nc2ccccc2s1	2
CCOc1ccc(cn1)C1(O)CCC(CC1)N1CCC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	30
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccncc1	8.1
CNC(=O)[C@@H]1C[C@H](N2CCc3c(cccc3OCCc3ccccc3)C2)CN1C(=O)c1ccc(CN)c(OC)c1	4
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1C(O)=O)c1ccccc1	125.8925
COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c3ccccc3)CC1	1.0715
FC(F)c1cc(-c2cnn(Cc3cc[nH]n3)c2)ccc1Cl	4.75
CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)n2CCOCc12)c1ccccc1	10
Fc1ccc(cc1F)-n1cc(NCCN2CCCCC2)nn1	2.2
c1ccc(-c2cccc3nc(-c4cccnc4)nc(NCc4ccccn4)c23)cc1	20
NC1CCCN(C1)c1c(cccc1c1ccncc1)/C=C/1\SC(=O)NC1=O	30
Clc1cc2nccc(N[C@@H](CCC[NH+](CC)CC)C)c2cc1	2.5
N#Cc1ccc(cc1)Cn1cncc1CN(C1CCN(C1=O)Cc1cccc(c1)Cl)CCN1CCOCC1	0.19
CC(=O)N1CCN(CC1)CCOc1ccc(cc1)C1(O)CCN(CC1)c1ccc2n(n1)c(nn2)C(F)(F)F	100
F[C@@H]1CN(C[C@H]1F)C(=O)[C@H]1NC[C@H](C1)N1CCN(CC1)c1ncccn1	100
CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1C1CCN(C)CC1	4
Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)cc1	100
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccccc4)C3C2)n1C	1.4
O=C(NC1CCN(C1)CCN1CCN(CC1)C(=O)c1ccccc1)CNC(=O)c1cccc(c1)C(F)(F)F	10
NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(CC4)c4nc5cc(ccc5[nH]4)C(F)(F)F)c3c2)cc1	33
CNCc1ccc(Cl)cc1Oc1ccc(F)c(C)c1	3
CCc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1	16.3
COc1nc2ccc(C(=O)N(C)C)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12	6.3
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)N3CCOC(C3)C(=O)N3CCCC3)CC2)c1	31.6
COc1cc2nnc(c(c2cc1N1CCN(CC1)C)Nc1ccc(cc1F)F)C(=O)N	20
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1	29.3
Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)o1	0
Cl.FCCOc1cccc(CCC2CCN(CCc3ccccc3)CC2)c1	0.75
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccc(cc23)S(C)(=O)=O)CC1	31.6
Fc1cc(ccc1C1CC2CCC(C1)N2CCCSc1nnc(n1C)c1ocnc1C)C(F)(F)F	0.5
CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C(C)(C)C	2.6
O=C(N1CC(C(C1)(F)F)(F)F)[C@H]1NC[C@H](C1)N1CCN(CC1)c1ncccn1	100
N#Cc1ccc(cc1)Cn1cncc1CNC1CCN(C1)C(=O)c1cccnc1C	10
COc1cc(ccn1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1	2.2
CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC	7.9
O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCOCC1)c1ccccc1	14
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CCCCNC1=O	43.9
COc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1	16
Fc1ccc(cc1)C[nH0]1c2ccccc2[nH0]c1N1CCC(CC1)CNC1=[N+]C=CC(=O)N1	0.44
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2)cc1Cl	10
Cn1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCCCC1)C1CCOCC1	18
COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2c1CCCC(N1CCN(CCO)CC1)C2	3.7
Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c1	27
Cc1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)s1	5.0119
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1ccc(cn1)C(O)=O	95.6
O=C(c1ccc(cc1)OC1CC(C1)N1CCCCC1)N1CCOCC1	30
Cc1cc2nc(CC3CCNCC3)n(Cc3ccc(Cl)cc3)c2cc1C	1.1
O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1	1.6
Cc1ccc(nc1)[C@]1(O)CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F	24
Cc1ccc2c(n1)ccc(c2)c1nnc(n1C)SCCCN1C[C@@H]2[C@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.5
CCCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1	2
O=C(N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)C1CCN(CC1)c1nccc(c1)C(F)(F)F	28
CN1CCN(CC1)c1ccc2nc(Nc3ccc(C)cn3)[nH]c2c1	12.7
FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1nnc[nH]1	1
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncco1	30
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(=O)[C@H](C)O)n1	24
CC(C)[C@@]1(CC[C@H](C1)N1CCC2COCCC12)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F	1.1
Oc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2	30
CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O	100
Nc1cc(CN2CCC(CC2)N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2)ccn1	0.384
CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc(C)cc1	11
CCOc1ccc(c(F)c1)-n1nc2c(nnc(C)c2c1C)N1CC(C1)OC	6
Cc1ncsc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	0.7943
O=C1CCc2ccncc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O	50
Cc1ccc(cn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	7.5
CN(c1ncnc2[nH]ccc12)[C@@H]1CCN(C(=O)CC#N)C1	93
Oc1ccc(Cl)c2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12	1.7
O=C(Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(c3ncc(Cl)cn3)CC2)cc1F)N1CC(O)C1	5.3
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccnc4)nn3c(N)nc12	22
O=C1[C@H](CCN1Cc1ccccc1)N(CCCc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N	0
ONC(=O)/C=C/c1ccc(cc1)CNCCc1c(C)[nH]c2c1cncn2	50
CS(=O)(=O)c1ccc(cn1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12	13.6
C[C@@H](C(=O)N1CCC(Oc2ccc(-c3cn(C)cn3)cc2C(N)=O)CC1)c1ccc(OC(F)(F)F)cc1	4.2
FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1cc[nH]n1	0.5
CN1CC(C)(NC(=O)Nc2cccc(c2)-c2nnnn2C)C(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)OC1=O	15.7
CC(=O)N1CCC(n2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)cn2)CC1	5.4
ONC(=O)C(c1ccc(cc1)OS(=O)(=O)C(F)(F)F)C	10
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCn2cccc2)C[C@H]1OC	6.835
COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)ccc1Cl	9.7
CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3cccnn3)cc12	2.3
Fc1cccc2C(N(CCc3ccccn3)C(=O)c12)C(=O)NCc1ccc(OC(F)(F)F)cc1	8.2
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)-n1ccc(=O)cc1	20
CC1(N(CCc2ccccn2)C(=O)c2ccccc12)C(=O)NCc1ccc(OC(F)(F)F)cc1	11
COc1ccc2c(c1)n(C[C@@H](C1CCC(CC1)NCc1ncc3c(n1)NC(=O)CO3)N)c(=O)cc2	100
Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(C)c3c2)n1	12.5
Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1Cc1ccc(F)cc1	5
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)C#CC1CC1	8.5
OC(=O)[C@H](Cc1cccc(F)c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	10
C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1	31945
CC(C)N(CCc1c([nH]c2ccccc12)C(C)(C)O)Cc1ccc(\C=C\C(=O)NO)cc1	30
COc1cc(ncc1C#N)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1	25
Oc1cc(Cl)cc(Cl)c1CNC(=O)C1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	4.2
N#Cc1cnccc1COc1cnc(nc1)N1CCN(CC1C)c1noc(n1)C(C)C	10
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)c1cc(NS(=O)(=O)C(C)C)c(cc1F)F	8.9
CCC[C@@H](CCO)Nc1nc(N)nc2ccccc12	6.8
O=C(N(S(=O)(=O)c1ccccc1)C)N1CCC(CC1)N1CCC(CC1)Oc1ccc(c(c1)Cl)Cl	0.32
Clc1cc2c(n(cc2C2CC[NH+](CC2)CCN2CCNC2=O)C2CCCCC2)cc1	137
CCOC1CN(CC1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)C1CCC(CC1)(O)c1ccccc1	17
O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)cc(Cl)c21	3.4
CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@@]23CCC(C)[C@]1(C)[C@@H]2C(=O)CC3	2.5119
Fc1ccc(cc1)N(CCNCCCc1ccccc1)c1ccc(F)cc1	0
COc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1	0
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccncc1	28
COc1ccc2c(n1)c(ccn2)NC(=O)C1(O)CCC(CC1)NCc1cnc2c(c1)OCCO2	50
CN=[S+](C)([O-])c1ccc(Nc2ncc(C(F)(F)F)c(N[C@@H]3CCC[C@H]3N(C)C)n2)cc1	20.3
N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)CC(=O)O)Cc1ccc(c(c1)F)F	79
CC(C)N(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1	5.87
CC(C)COc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1	23
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1	17
CC(C)(C)c1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3	100
CN1Cc2ccc(cc2C1=O)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1	33
COc1ccc(cc1)C1CN(CC1CNC(=O)c1cccc(c1)Cl)CCc1ccc(c(c1)OC)OC	0.16
C[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21	30
NC(=O)c1cnc2ccc(-c3cccnc3)cc2c1NC1CCCC1	0.57
CC1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2S1	6
O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(=O)c2ccccc2o1	0
OC(=O)C1(F)CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1c2cccc1	40
O=P(N(CCCC#N)c1cccnc1)(c1ccccc1)c1ccccc1	33
CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O	33
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CN=C1NC(Cc2ccccc2)c2ccc(cc12)C(F)(F)F	1.4
COc1ccc(cn1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1	1.75
Clc1cc(Cl)cc(c1)C(=O)NCC1CCN(Cc2ccc(Br)nc2)CC1	0.655
COc1cc(\C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)ccc1-n1cnc(C)c1	0.99
C[C@@H]1CN(C(=O)OCC(F)(F)F)CCN1c1ncc(OCc2ccncc2C#N)cn1	12
Fc1ccc(CN2CCN(CC2)[C@H](c2ccc(cc2)C(=O)N2CCC2)c2cccc(NC(=O)C3CC3)c2)cc1	3.6
FC(F)Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0.7
Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1	3.2359
CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2ccnn2C)CC1	4.1
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12	6000
CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CCO)[C@H](N)C(F)=C2CCCC2)c(Cl)c1	47
Fc1ccc2n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c(=O)[nH]c2c1	1.9
COc1cccc2c1CCCC21CCN(CCCSc2nnc(-c3ocnc3C)n2C)C1	1.9953
c1ccc(cc1)CN(c1cccc2c1cc[nH]2)C1CCNC1	10
FC(F)(F)Oc1ccc(Oc2ccc(CN3CCC4(CCCCO4)CC3)cc2)cc1	2.5
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C(=O)N1CCOCC1	2.7
CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2)ncn1	5.8
O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23	1400
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1	2
CN(C(=O)c1ccc(cc1)n1c(C)nc2c1cccc2)C1CCN(C1)C1CCCCC1	2.8
CC(C)(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1	0
COc1ccc2ncc(F)c([C@H](O)[C@@H](O)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	36.1
CC1CCCN(C1C)C(=O)c1csc(n1)Nc1ccc(cc1F)Cl	50
FC(F)(F)c1ccc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cncc(c1)C#N	10
CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(C)n1-c1cc(F)cc(F)c1	34
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)c1C	2.6
FC(F)(F)c1cccc(Nc2cc3[nH]c(Nc4ccc(N5CCOCC5)cn4)nc3cn2)c1	0.5
Cc1c2C(=O)N(Cc3ccccc3-c3ccc(F)c(F)c3)C(C(=O)NC(C)(C)C)c2ccc1O	27
Clc1cccc(c1)N1CCN(CC2CCCCN2)C1=O	7.9
Fc1ccc(CNC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(Br)cc2)cc1	0.2
CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O	1412.5
CC1=NC2C=C3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCC3=CC2O1	10
Cc1ccc(Nc2nccc3ccc(NC(=O)CCCCCCC(=O)NO)cc23)cc1	40
c1cc(C#Cc2ccccc2)nc(c1)C#Cc1ccccc1	100
O=C1N=CC=C2N=C(c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)C(c3ccccc3)=CC12	5.61
Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CNC[C@H]12)Cc1ccc(F)c(Cl)c1	14.6
CCN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1	10
OCc1ccc(OC2CCN(CC3CCN(CC(O)=O)CC3)CC2)cc1Cl	64565.4
COc1cc2CC(=CC(=O)c2cc1F)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	15.9
O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(nc12)N1CCOCC1	3.2
CN1CCC(COCc2cc(cc(n2)N2CC=CC2)C(F)(F)F)(CC1)c1ccc(F)cc1	8.7
CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1	30
COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21	26
CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(OCC)c1-c1ccc(F)cc1.O=C(O)C(F)(F)F	45
C[C@@H]1COCCN1c1cc(C2([S@](C)(=N)=O)CC2)nc(-c2cc[nH]c3nccc2-3)n1	166
Cn1cc(-c2ccnc3c2OCCNC3)c(-c2ccc(F)cc2)n1	25.7
CCCCc1cc(OC2CCN(CCS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl	1.6596
Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccc(=O)[nH]c1	1
COc1c(cc(cc1C(C)(C)C)C(=O)N1CCN([C@@H](C)C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C	0.9
C[n+]1c(cccc1C#Cc1ccccc1)C#Cc1ccccc1	0.554
Clc1cc2c(n(cc2C2CC[NH+](CC2)CCN2CCNC2=S)-c2ccc(F)cc2)cc1	6.2
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	10
COCC(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1	24
FC(F)(F)C(=O)Nc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	100
COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	42
c1ccc(-c2cccc3nc(-c4cncs4)nc(NCc4ccccn4)c23)cc1	6.2
O1c2c(C(=O)C[C@H]1c1ccc(O)cc1)c(O)cc(O)c2	36.5
Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)C1NOc2cc(F)ccc12	0.1514
COC(=O)c1noc(c1)c1ccc2c(n1)ccc(c2)CCN1CCCC1C	16.8
COc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1	0.069
NC1=NC2(CO1)c1cc(Br)ccc1OCC21CC1	10
CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(F)cc4)nc3c2=O)C1	16.2
COc1cccc(c1)-c1c(cc2ccccn12)C(=O)N1CCCCC1CO	33.1
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cccc(n1)C(O)=O	8.7
Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1	8.7
O1[C@@H](CC)[C@](O)(C)[C@H](O)[C@H](C)C(=O)[C@@H](C[C@@](OC)(C)[C@H](O[C@@H]2O[C@@H](C[C@@H]([NH+](C)C)[C@@H]2O)C)[C@@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@](OC)(C2)C)[C@H](C)C1=O)C	59
COc1cccc(n1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	17.5
CSc1ccccc1C(=O)N([C@H]1CCNC1)C1CCCCC1	2.27
COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC(C)C)cc21	16.6
Cc1ccc(cc1)C(=O)C1CCN(CC1)CCc1ccccc1	0.028
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccnc1	13
FC(F)(F)COc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1	8.9
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1ccc(F)cn1	63
CC(C)(C)n1nnc2c1CCC(n1cnc(-c3ccc(F)cc3)n1)C2	6.3096
CCc1nc2ccc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c2s1	0.1585
CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2c(C)c1F)C1CC1	50
FC(F)(F)COc1ncccc1CNC(=O)c1cncc(c1)-c1ccc(Cl)cc1	19
C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12	12.5
Nc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1-c1ccc(C(F)(F)F)nc1	20.2
Cc1cc2c(cc1CCN1CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC1)COC2=O	14
Cc1cc(=O)n(C[C@H](N)[C@H]2CC[C@@H](CC2)NCc2ncc3OCC(=O)Nc3n2)c2cc(F)ccc12	333
Cc1ccc(cc1)S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1	30
O1CC(=CC1=O)[C@H]1CC[C@]2(O)[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1([C@@H](C[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@@H]4O[C@H](C)[C@@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@@H](O)C5)[C@@H](O)C4)[C@@H](O)C2)CC1)CC3)C	0.0539
N#Cc1ccc(cc1)C1=CC2(CCNCC2)Oc2c1cccc2	0.1
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1nccc(n1)C(F)(F)F)c1ccc(cn1)-c1ncccn1	26
CNCCC(c1cccc2c1cc[nH]2)c1ccccc1	1
O=C(C1CCS(=O)(=O)CC1)N[C@H](c1ccc(cc1)F)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2	10
COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](F)C3)c2c1	19
Brc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1	9.3
[NH2+]1CCC(CC1)c1c2c([nH]c1-c1ccccc1)cccc2	5.7
Fc1ccc(cc1)C(c1ccc(cc1)F)OCCN1CCN(CC1)CCCc1ccccc1	0.0008
COc1ccc2nccc([C@@H](O)[C@@H]3CC4CCN3C[C@@H]4C=C)c2c1	12.3027
CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1	38.5
C1/C=C\COCc2cc(ccc2OCCN2CCCC2)Nc2nc(c3cc(OC1)ncc3)ccn2	2.4
CCC(NCCCC[C@@H](C[C@@H](OC)c1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1	10
CCN1CCCC1CNC(=O)c1ccc(Cn2c(Cc3c(Cl)cccc3Cl)nc3ccccc32)cc1	1.57
CCc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1	9.6
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccnc(OCC\C=C\COCc1c2)c3	2.4
N#CCCn1nc(c(c1c1cc(F)cc(c1)F)C)CNC1CCC(C1)F	9.5
OC(=O)c1cc2occc2[nH]1	10
FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NC[C@H]1CCCCN1	0.7413
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccc3OCOc3c2)-c2ccsc2)c1CCC(O)=O	3
CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1C	28.6
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1	14
Cn1ccc(n1)c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)CC1CCCO1	5
CCOc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2ccnc(OC)c2OC)cc(OC)n1	3.3
COc1ccc(cc1)Oc1cc(C)c(c(c1)C)c1csc(n1)NC(=O)c1ccncc1	10
O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1	0
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CCc2c1)C(CO)CO	19.9526
CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CC(OC)C2)c1	4.16
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12	14.8
Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4)C3C2)nnc1-c1ccn(C)c(=O)c1	2.51
CNc1ccc(\C=C\c2c(F)cccc2Cl)cc1	49.8
COc1ccc(cc1)CCN1C(=O)N(CC1c1ccc(cc1)OC)NS(=O)(=O)C	15.1
CN(C[C@H]1Cc2c(cccc2N2CCNCC2)CN1)[C@H]1CCCc2cccnc21	20.3
NC(=O)c1c(F)ccc(OCc2nc3ncc(Cl)cc3s2)c1F	10
CC(=O)Nc1ccc(cc1)CN1CCC(CC1)NC(=O)C1=CC(=O)c2c(C1)cc(cc2)F	47.7
COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34	25.1189
NC(=O)[C@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1	6.3096
O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(c1)C#N	3.16
CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c1ccccc1)C(O)=O	3981.1
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1	9.9
Fc1ccc(cc1)[C@@H](NC(=O)c1cc(C(=O)N2CCCC2)n2CCOCc12)C1CC1	10
CC(C)c1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F	37.5
Cc1nnc([nH]1)c1cc(cc(c1)C(F)(F)F)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1c1ccc(cc1)C(F)(F)F	1.3
Cc1cc(C)nc(n1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1ccccc1-c1cccs1	10
CC(=O)NC(c1cccc(c1)F)CCN1C2CCC1CC(C2)n1c(C)nc2c1CCN(C2)C(=O)C(C)(C)C	5
O=C(NC1CN(C1)C1CCC(CC1)c1ccccc1)CNc1n[nH]c2c1cc(cc2)C(F)(F)F	1.2
CCN(Cc1ccc2c(c1)CC[C@@H](C2)N1CCN(CC1=O)CCc1cccs1)CC	13.2
Cc1cn(-c2ccc(-c3cn(CC(=O)Nc4cccc(Cl)c4Cl)nn3)cc2F)cn1	3.4
CCn1cc(Nc2nc(N)nc(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)n2)cc1C#N	7.8
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1	0.3
ONC(=O)C=Cc1ccc2c(c1)CN(C2)C(=O)c1cccc(c1)C(F)(F)F	30
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)nc1	25
COc1cccc(c1)CN1CCC(CC1)NC(=O)C1=CC(=O)c2c(C1)cc(cc2)F	10.4
COc1cnc2ncc(=O)n(CCN3CCC(CC3)c3nc4cc(Cl)c(C)cc4[nH]3)c2c1	10
Clc1ccc(C(Cn2ccnc2)OCc3c(Cl)cccc3Cl)c(Cl)c1	9.3325
O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	7.1
OC[C@@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O	1000
Oc1cc(F)ccc1C(=O)N1CCC(CCN2CCC(CC2)N(C(=O)NCc2ccc(cc2)C#N)c2cccc(F)c2)(CC1)c1cccc(F)c1	0.8
NC1Cn2c(CC1c1cc(F)c(cc1F)F)nc1c2ccc(c1)C(F)(F)F	7.5
Nc1nc(NC2CCOCC2)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F	0.7
CC(C)Oc1cc(Nc2nc3n(cnc3cc2F)[C@@H](CO)c2ccc(F)cn2)[nH]n1	25
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1	7
CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0.4
COc1cc([C@](O)(CCN(C)C)[C@H](c2cc(OC)c(OC)nc2OC)c2cc3cc(Br)ccc3nc2OC)cc(OC)n1	5.9
CSc1ccccc1C(=O)N(C1CCNC1)C1CCC1	20
Clc1ccccc1-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1	5.3
Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1	41.65
CC(C)N1CC[C@H](C1)N(C)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12	45
C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1	30
COc1ccc2C([C@@H](C)c3nccnc3OC)=C(CCN(C)C)Cc2c1	5
CN(C)CCOc1ccccc1Cc2ccccc2	1.8621
CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(SCC(=O)NC)nc2[nH]cc(C#N)c12	10.45
OC(=O)C1(F)CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21	39.8
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1	0.033
OCCNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	5
CN1[C@@H]2CC(C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4	31.6228
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1	1
CC(CCC1(CCCN1)C(=O)c1ccc2c(c1)cn[nH]2)C	10
NC(=O)c1cnc(N(CCc2ccccc2)[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12	2.1
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC(O)C1	7
c1cnc2c(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1	7.9433
O=C(NCCO)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1	0.5012
COc1cc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1OC	0
Cn1c(SCCCN2CC3CCN(c4ccccc4)C3C2)nnc1C1CCOCC1	3.98
CNC1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12	7.8
OC1(c2cccnc2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1	95
FC(F)(F)c1ccc(cc1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc2OCOc2c1	1.5
CCCCN(CC)CC#CCOc1ccc(Cl)cc1	14.43
NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3ccccc3)[nH]c12	11.6
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1cccc2)C(=O)C	0.161
COc1ccc(CCN(C)CCOc2ccc(NS(C)(=O)=O)cc2N)cc1OC	1
COc1ccc(cc1)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cccnc1	19
CNC(=O)c1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOC[C@H]1C)N1CCOC[C@H]1C	32
CN1CCCC(CN2c3ccccc3Sc4ccccc24)C1	15.4882
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCC3CCOCC3)C(=O)c3ccccc23)cc1	22
OCCONC(=O)c1ccc2cncn2c1Nc1ccc(I)cc1F	4.4
COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](O)C3)c2c1	152
CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1	5.2481
Oc1ccc(Br)c2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12	1
COc1cc(\C=C2/CCCN3C2=NO[C@]3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1	3.3
O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1cc(on1)-c1ccccc1	3.3
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N	10
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(nc1)C#N	12.5
CC1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F	15.8
Cl.Cl.O=C1CCc2c(Oc3ccc4c(c3)C[C@H](NC(=O)c3cc(C(F)(F)F)cc(C5(O)CNC5)c3)CC4)ccnc2N1	4.9
O=C(N[C@@H]1CN(C1)[C@@H]1CC[C@H](CC1)c1ccc2c(c1)OCO2)CNc1n[nH]c2c1cc(cc2)C(F)(F)F	1.1
CNC(=O)NCCN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	1.8
CN1CCOc2ccc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)nc12	60
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccc4OCOc4c3)c2c1	1.1
CS(=O)(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1	33
CN(CCOc1nc2c(c(n1)c1ccccc1Cl)CNC(=O)N2c1c(Cl)cccc1Cl)C	10
CCNc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F	80
Oc1ccc(cc1)[C@@H](O)[C@H](N1CCC(CC1)Cc1ccccc1)C	0.1
C[C@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)C	11
NC/C(=C\1/CCCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)/F	19.3
O=C([C@@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCC1	10
CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCC2CCCS2)CC1=O	13.2
CN(C/C=C/c1ccc(Br)cc1)Cc1ccc2c(c1)OCCC2.Cl	1.9
ONC(=O)CCCCCCC(=O)Nc1ccc2ccnc(Nc3ccc4ccccc4c3)c2c1	40
Cc1cc(C)nc(n1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1cc(F)ccc1-n1nccn1	10
CN(C/C=C/c1ccc(C(F)F)cc1)Cc1ccc2c(c1)CCO2.Cl	1.3
CC(C)(O)C(=O)N1CCC(CCN2CCC(CC2)N(C(=O)NCc2ccc(cc2)C#N)c2cccc(F)c2)(CC1)c1cccc(F)c1	10
COc1cc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)ccc1F	0.3981
Cc1ccc(cc1)C(=O)C1CCN(CC1)CCCc1ccccc1	0.102
CN1CCN(CC1)c1ccc2nc(Nc3ccc(Br)cn3)[nH]c2c1	3.5
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)C1CC1	44
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC	0.1
Fc1ccc(cc1)[C@@H](NC(=O)c1cc[n+](cc1)[O-])CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2	0.261
CC1(C)CC(=NNC1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1	21
C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1	25
NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1	1.5
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC1CCCC1	33.5
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3c(C)cc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1	3.051
COc1cc(ccc1C#N)C(C)(C)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1	1.2
Clc1ccc(cc1)C(NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)CCN1CCCCC1	29.4
Cc1cccc(c1)C(CCCN)(c1ccccc1)c1ccccc1	6.48
ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c([nH]c3ccccc23)-c2ccccc2)cc1	28.4
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(=O)(=O)CCN(C)C)n1	18
CNC(=O)c1cnc(Nc2ccc(OC)cn2)cc1Nc1ccccc1S(C)(=O)=O	17
CC(C)Cc1cc(nn1-c1ccccc1)C(=O)NCC1(CCN(CC2=Cc3ccccc3OC2(C)C)CC1)C#N	4.7
Cc1ccn2nc3c(c2n1)CN([C@H]1CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1)C3	18
CCN(CC)C(=O)c1ccc(nc1)C1=CC2(CCNCC2)Oc2ccccc12	71.666
Clc1cccc(C(=O)N(CCC2CC2)[C@H]2CCNC2)c1Cl	7.1
CCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N	30
CC(N1CCCC(C1)Cn1c(C)nc2c(c1=O)cc(nc2)Oc1cccc2c1nccc2)C	25.1
Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccncn1	0.1
Clc1cc(c(OC)cc1N)C(=O)N[C@H](CC[N@H+](C[C@@H](OC)1)CCCOc2ccc(F)cc2)1	0.02
C(Cc1cccc(CCc2ccccc2)n1)c1ccccc1	1.6
CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)-c2ccccc2)C1=O)N(C)C(C)C	60
C[C@@H](NC(=O)Cc1ccc(cc1)-c1ocnc1C)c1ccc(OCC(F)(F)F)cn1	30
OC(C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1)(c1ccccc1)c1ccccc1	0.2
Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3ccc(Cl)cc3)CC2)n[nH]1	0.4
c1cc(F)ccc1C(c2ccc(F)cc2)CCC[N@H+](CC3)CC[C@@H]3n4c(=O)[nH]c(c45)cccc5	0.0501
OC(CN(CC(C)C)CCc1ccc(c(c1)Cl)Cl)COc1ccc(cc1)NS(=O)(=O)C	0.73
COC(=O)N(Cc1cccc(c1)OCc1nc(oc1C)c1ccc(cc1)Cl)CC(=O)O	200
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1	8.5
Cc1c(CNC2CCCC2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl	23
C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1	28
CCCC(=O)N1CCc2c(C1)nc(n2C1CC2CCC(C1)N2CCC(c1cccc(c1)F)NC(=O)C)C	6
O([C@@H](c1ccccc1C)c1ccccc1)CC[NH+](C)C	0.85
CS(=O)(=O)NCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1	80.1
Oc1cc2c(Cl)cccc2[nH]c1=O	10
O=C(Nc1ccc2c(c1)c(C)cc(n2)N1CCC(CC1)N1CCCC1)COc1ccc(cc1)OC(F)(F)F	6
CS(=O)(=O)N1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	3.5
COc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1	7.1
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(CC(F)(F)F)c2ccc(cc12)C(F)(F)F	2.5
CNC(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)[C@]2(CCC3(C2)CCNCC3)C(=O)NO)cc1	65
CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)[C@@H]3CCc4cc(ccc4C3)C#N)C[C@@H](O)c2c1	0.35
Clc1cc2N=C(N3CC[NH2+]CC3)c3c(Nc2cc1)cccc3	4.49
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1ccc(cc1)C(F)(F)F)C#N	30
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cccnc1	1.2303
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(F)(F)F)C#N	30
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1	10
O(C)c1cc(ccc1C[C@@H](O)CO)CNC(=O)CCCCCCCC	0.1
Nc1nc2ccc(NCC(F)(F)F)nc2n1CC(O)c1ccc(Cl)cc1Cl	3.5
Cl.Clc1ccc(OC(c2ccc3ccccc3c2)C2CNC2)cc1Cl	0.18
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O	2.5
Cc1ccc2oc(-c3c4c(N)n[nH]c(=O)c4nn3-c3ccc(NC(=O)/C=C/CN(C)C)cc3)c(C)c2c1	32.85
Nc1n[nH]c(N2CCC(N3CCOC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1	39
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1	15
O=C(NCc1cccc(c1)NC(=O)C1CC1)CSc1nnc(n1c1ccccc1)N1CCOCC1	30
Clc1ccc(c(Cl)c1)-n1cc(NCCN2CCCCC2)nn1	4.9
Cc1c(CNC2CCCC2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1	19
COc1ccc(OC2CN(C2)C(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)cc1	2
Cc1ccc(c(c1)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1nc(C)cc(C)n1)-n1nccn1	10
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(OCCCCN2CCCCC2)cc1	100
CC(C)CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC2CCCOC2)CC1	0.58
CC1CCCCN1CCN1CCN(C1=O)c1cccc(Cl)c1	1.9953
CCOc1ccc2cc(-c3nn(CC4CCN(C(C)C)CC4)c4ncnc(N)c34)ccc2c1	0.3
F[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1	216.5
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C	1
COc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(-c3cc[nH]n3)cc2)ncn1	12.5892
CCOC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(C)cn1	63.0957
Clc1cc(ccc1)C(=O)[C@H]([NH2+]C(C)(C)C)C	79.4
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2ccccc12	4.3
CCc1[nH]nc(c1)C(=O)NC1CC(C)(C)Oc2c1cc(c1ccc(cc1)Cl)c(n2)c1ccc(cc1Cl)Cl	1.2
COc1cccc(c1)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O	25.1
Cc1ccccc1-c1nc2cn(-c3cccc(C#N)c3)nc2c(=O)n1CC1CCCN(C(C)C)C1	22
O=C(N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)C1CCN(CC1)c1cccc(c1)C(F)(F)F	9
COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccc2)c1	18.8
Fc1cc2c([N+](=CC(C2=O)C(=O)[O-])C2CC2)c(OC)c1N1C[C@H]([N+]CCC[C@H](C1)1)1	128.82
CN1CCN(CC1)c1ncnc(c1)Nc1ncc(s1)C#N	0.9
Cc1ncc(CN[C@@H]2CCN(CCn3c4cc(F)cnc4ccc3=O)C[C@@H]2F)cc1C#N	133
COc1cnc(cn1)C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1	10
N#Cc1cc(C(C)C)c2c(c1)nc(o2)c1ccc(cc1)C(=O)NCC1CCC(CC1)c1cccc(c1)C(F)(F)F	2.4
COCc1cnc2n1C[C@@H](CC[C@H]2NC(=O)N1CCC2(CC1)C(=O)Nc1c2cccn1)c1cccc(c1F)F	16.2
Fc1ccc(cc1)[C@@H](NC(=O)c1ccc[n+](c1)[O-])CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2	5.92
COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C(C)C)C4)c(=O)c3n2)c1	47
COc1ccc(cc1)[C@H]1CN(NS(C)(=O)=O)C(=O)N1CCc1ccc(OC(F)(F)F)cc1	5.6
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)NC[C@H]1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1	5
[NH+]1(CC2C[NH+](CC(C1)C12CCCC1)CC1CC1)CC1CC1	2.5
OCCNC(=O)c1cccc(c1)c1ccc2c(n1)nc(nc2N1CCOC[C@H]1C)N1CCOC[C@H]1C	32
COc1ccc2c(c1)CN(C(=O)CCN1CCC(Cc3ccccc3)CC1)CCS2.Cl	0.463
OC(c1ccccc1)(c1ccccc1)C1CCN(CC1)Cc1ccccc1	0.3
CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1	0.44
CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cncc(F)c2)C1=O	1.1
COc1ccc(NC(=O)N2CCN(c3nc(N)nc4sc(-c5cccnc5)nc34)CC2)cc1	2.2
CN(C)CCc1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1	0.1
COC(=O)C(c1ccccc1)C1CCCCN1	10
FC(F)(F)Oc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1	0.13
CCc1cccc(c1)NC(=O)N1CCc2c(C1)c(nc(n2)c1cnccc1C#N)c1ccccc1C	0.2
Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc2N(CCCOC)C(=O)C(C)(C)Oc2cc1F	30
CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccc(COC)cc3)cc12	18
S(C[C@H](NC(=O)c1cccc(O)c1C)[C@H](O)C[N+]1C[C@@H](CCCC[C@@H](C[C@H]1(C(=O)NC(C)(C)C))1)1)c1ccccc1	11.5
CC1=C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1	0.47
OC[C@@H]1OC(=O)N2[C@@H]1COc1c2ccc(c1)c1ccc(nc1)N1CCOC1=O	195
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1	19
N#Cc1cnccc1COc1cnc(N2CCN(c3noc(C(F)(F)F)n3)CC2)nc1	6.3096
COC(=O)C1=C(C)NC(C)=C(C(=O)NC[C@H]2CCN(CCc3ccc(C(F)(F)F)cc3)C2)C1c1cccc([N+](=O)[O-])c1	1.48
COc1ccc2ccc(=O)n(C[C@H](O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)CO3)c2n1	15
Clc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1	10
Cn1cnc(-c2cnc(N)c(O[C@@H]3CN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3(F)F)c2)c1	21
Cn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(O[C@H]3CCOC3)c2)n1	35
CC(C)n1nc(C(=O)NCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12	2.6
O[C@H](COc1ccc(F)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1	1.35
CCCCN(CCCC)CC[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F	0.0214
CC(C)Cc1cc(nn1-c1ccccc1)C(=O)NCC1(CCN(CCc2ccccc2)CC1)C#N	1.57
CN(C1CCN(CC1)C1CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F	15.2
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1	20
O=C(NC1CN(C1)C1CCC(CC1)(O)c1cncs1)CNc1ccnc2c1cc(cc2)C(F)(F)F	11.2
Cc1ccc(Nc2c(nc3CN(CCn23)C(=O)C(C)(C)N)-c2ccc(F)cc2)cc1	1.5
Cc1cc(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1	31.6
c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1	4.026
N[C@H]1CN(C[C@@H]1c1cc(F)ccc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O	8.8
CN(C/C=C/c1ccc(F)cc1C(F)(F)F)Cc1ccc2c(c1)OCO2.Cl	0.0042
O=C(CN1C(OC(C1=O)(C)C)c1ccccc1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C	60
CC(C)(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F	79.6
CCCCCC(C(=O)c1cc2c(n1c1cccc(c1)C(F)(F)F)ccc(c2)Cl)Cc1ccc(cc1)C(=O)NCCC(=O)O	3.7
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@H]1CNCCO1)c1cccc(c1)F	8.8
COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N(C)C	50
CCCS(=O)(=O)NC1CN(c2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCC2)CC3)C1	6.8
Fc1ccc(CN([C@H]2CCNC2)C2CCOCC2)c(F)c1F	1.2
Cc1cc(=O)n(C[C@H](N)[C@H]2CC[C@@H](CC2)NCc2ccc3OCC(=O)Nc3n2)c2cc(F)ccc12	333
F[C@H]1CN(CCn2c3cc(F)cnc3ccc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1	100
Cc1cccc(Nc2nc(N[C@@H]3CCC(F)(F)C[C@@H]3N)ncc2C(N)=O)c1	3.1623
O=c1c2CN([C@H](c2[nH]c2c1cccc2)c1ccc2c(c1)CCO2)c1ccccn1	3.3
Nc1nc(N2CCC(N3Cc4ccncc4OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n[nH]1	50
Clc1ccc(cc1)C(C1CC1)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	2.6
CC(C)(C)C(O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	4.8
COC(=O)C1=C(C)NC(C)=C(C(=O)NC[C@H]2CCN(CCc3ccc(Cl)c(F)c3)C2)C1c1cccc([N+](=O)[O-])c1	0.33
OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21	39.8
O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)c(Cl)c1	0.98
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCN3CCCC3)cc2)c1	100
OC(=O)C(=O)Ic1ccccc1CN[C@@H]2C3CCN(CC3)[C@@H]2C(c4ccccc4)c5ccccc5	2.4547
Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4)C3C2)nnc1C1CCOCC1	2.5
CC(C)N1CCN(Cc2cnc(-c3ccc(C(=O)Nc4ccccc4N)cc3)c(Cl)c2)CC1	7
OC(=O)c1ccc(cc1)C1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1	30
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1F	2.3
FC1CCC(C1)NCc1nc(n(c1C)c1ccc(nc1)C)c1ncccc1Cl	31
Cc1c2CCCN3C[C@@H](F)C[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12	16.4
Nc1nc2ccc(cc2n1CC(O)c1cccc(Cl)c1Cl)C#N	33.3
CCN(C(=O)c1ccccc1Oc1ccccc1)C1CNCC1	5.03
CC(C)(C)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N	27
COc1ccccc1CN1CCC(CNC(=O)c2cc(CC(C)C)n(n2)-c2ccccc2)(CC1)C#N	0.9
Cl.Cl.FCCOc1cccc(CCN2CCN(CCc3ccccc3)CC2)c1	4.31
CNCc1cc(F)ccc1Oc1ccc(Cl)c(F)c1	4.67
COc1cc(CN2CCOCC2)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12	9.9
Fc1ccc(c(c1)F)C(Cn1cncn1)(Cn1cncn1)O	48
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O	0.0794
Cn1cnnc1C1CCN(CC1)C(=O)NC1CC1c1ccccc1	30
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(Br)cc(Br)c2)nn1	0.1
C[C@H](NC(=O)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1	2.2
O=c1ccc(c[nH]1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	300
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)C(O)=O)c1ccccc1	50.1
CN1CCC(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1	0.1
Clc1cc2c(n(cc2C2CC[NH+](CC2)CCN2CCNC2=O)-c2ccc(cc2)COC)cc1	36
C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1	7.3
CNCC[C@@H](Oc1ccccc1C)c1ccccc1	2.1
Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O	5.5
N=C(c1ccccc1)Nc1ccc(cc1)OCCCCCOc1ccc(cc1)NC(=N)c1ccccc1	10
C#C[C@]1(O)CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	50
C=CCN1CC2C(C1)(C2)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(C)C	0.1
COc1c(Nc2ncc(Cl)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc2c1CCC[C@H](N1CCN(C)CC1)C2	9.1
Cc1ncc(CNC2CCN(CCn3c4cc(F)cnc4ccc3=O)CC2)cc1C#N	69
CCCNCC(O)COc1ccc(O)cc1C(=O)CCc1ccccc1	0.88
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(c1Cl)C(F)(F)F	4.1
Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F	10
Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CC[N+](C)CC1	0.256
CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21	26.8
COc1ccc2nccc([C@@H](O)CN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1	14.55
Fc1ccc(cc1)-n1cc(C2CCNCC2)c2cc(Cl)ccc12	0.2
ONC(=O)C=Cc1ccc(cc1)CN(C(C)C)CCc1c[nH]c2c1cccc2	5.87
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(c2)-c2noc(C)n2)nn1	10
COC(C)(C)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	3.5
S(C[C@H](NC(=O)c1cccc(O)c1C)[C@H](O)C[NH+]1C[C@@H]2[C@H](C[C@H]1C(=O)NC(C)(C)C)CCCC2)c1ccccc1	11.5
Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C(=O)N2CCC3(CCCN3)CC2)cc1	25
O=C(NC(c1ccc(Cl)cc1)c1ccnc(F)c1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1	0.59
Clc1ccc2c(c1)c(ncn2)N1CCC(CC1)CCNS(=O)(=O)N	5.42
COc1ccc2ncc(Cl)c(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1	2
Cc1c([C@@H](O)CN2CCC3(CC2)CN(c2ccns2)C(=O)O3)ccc2c1COC2=O	12
CN(C)Cc1ccc(cc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F	1.1
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCNCC1	9.1
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(Cl)cnc3ccc2=O	53.3
Fc1cccc(c1F)c1nc2c(n1)cn(nc2)Cc1onc(c1)c1ccc(cc1C(F)(F)F)C(F)(F)F	50
COc1cccc(c1)N1CCN(CC1)CCCCCCN1CCN(CC1)c1cccc(c1)OC	2.4
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCNCC3)o2)cc1	19
Nc1nc2cc3CCN(CCc3cc2s1)C1CC1	13
CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1	9.7
CC(=O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12	10
CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F	30
N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1ccc(cc1)Cl	0.3
CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)CCCC2.Cl	1.4
O=C(NC1C[C@@H]([N+](C)[C@H](CCC2)C1)2)c1[nH0][nH0](C)c2ccccc21	3.71
Fc1cc(ccc1N1CCC(CC1)=CC#N)N1C[C@H](Cn2ccnn2)OC1=O	49.5
Cn1cnc(-c2ccc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)c2)c1	18
CO/N=C\1/CN(CC21CNC2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O	218
CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1	32.14
CN1CCC(Cn2nc(-c3ccc4nc(OCC(F)(F)F)ccc4c3)c3c(N)ncnc32)CC1	0.5
CC(C)C(CCCN(C)CCCc1nc2ccccc2[nH]1)(C(=O)O)c1ccc(Br)cc1	2.34
OCC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1	3.6
OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N	100
C[C@@H]1NC(=N[C@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N	10
C(c1ccccc1)C1(CCNC1)c1ccc2sccc2c1	11
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1	20
CCOc1cc2ncc(c(c2cc1N1CCCN(CC1)C1CC1)Nc1ccc(cc1F)F)C(=O)N	6.9
NC1=N[C@](c2cccc(F)c12)(c1ccnc(c1)C(F)(F)F)c1ccc(F)c(c1)-c1cncnc1	7.9
COc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)CS2)cc1	10
O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O	0
C[C@@H]1CCCN1CCCOc1ccc(cc1)-n1c(C)nc2ccccc2c1=O	10
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2C[C@@H]3CC[C@H]2C3)o1	6.3
Cl.O=C(c1ccccc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1	63.0957
O=C(c1ccccc1C(F)(F)F)N(C1CNCC1)CC1CC1	20
Cc1cc(nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc12)C#N	0
O=C1COc2c(N1)cc(nc2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	30
CN(C)CCC1=C(Cc2cnccn2)c2ccc(C)cc2C1	0.5
Clc1cc2NC(=O)Cc2cc1CC[NH+]1CCN(CC1)c1nsc2c1cccc2	0.12
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3SCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O	25.7
COc1nc2ccc(C#N)cc2cc1C(c1cccc(C)c1)C(O)(CCN(C)C)c1cccnc1OC	0.3
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3cc(Cl)cc(Cl)c3)C2)n1C	0.263
COc1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1	2.46
O[C@H]1CCN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N	33
Fc1cc2COC3(CCN(Cc4ccc(Oc5ccc(F)c(F)c5)cc4)CC3)c2cn1	0
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cccs1	11.5
CCOC(=O)C1CCN(C(=O)c2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)CC1	8.3
Cc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCO3)cc1.Cl	4.6
C[C@]1(O)CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1	26
Cc1ncc(CNC2CCN(CCn3c4cc(ccc4ccc3=O)C#N)CC2)cc1C#N	26
CN1CCN(CC1)c1cc(cc(COCC2(CCNCC2)c2ccccc2)n1)C(F)(F)F	16
CC(C)Cc1ccc2nn(C)cc2c1NS(=O)(=O)c1ccc(CCCOC[C@H]2COCCN2C)cc1	3.1
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccncn1	0.1445
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCCCN2CCCC2)cc1	100
Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1	1.8
Cc1cc(ccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C(N)=O	1
CNCc1cc(F)c(OC)cc1Oc1ccc(Cl)c(Cl)c1	2.1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C	0.27
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ncc1C	19
COc1cccc(c1)c1nnc(n1C)CCCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.1
NC(=O)c1cnc2c(F)cc(-c3cccnc3)cc2c1NC1CCOCC1	10
CC(C(C(F)(F)F)Nc1nc2cc[nH]c(=O)c2c2c1ccc(c2)F)C	3.5
NC1=NC2(CO1)c1cc(c(F)cc1OCC21CC1)-c1cncnc1	10
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCOCC2)o1	31.6
Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1	6.481
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1cccc(F)c1	10
FC1CCN(CCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1	7.9
CCOC(=O)C1=C(CN2CCOCC2)NC(c2nc(CC(=O)OC)cs2)=NC1c1ccc(F)cc1Br	1.64
CSc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1	2.7
OC(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	100
COc1ccc(cc1)C1CN(CC1CC(=O)Nc1cccc(c1)Cl)CCCN(S(=O)(=O)C)C	4.62
CC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1	40
Cc1ccc(cn1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	1.58
Cc1cccc(c1)N=C(NC#N)c1ccc(o1)-c1ccc(Cl)cc1	30
Cc1nc2C(=O)N(CC(O)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl	80
OCC1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	32
Fc1ccc(cc1)C1CCN(CC1)C1CCC(C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.016
Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CN(CC3CCCC3)C[C@H]12)Cc1cccc(OC(F)(F)F)c1	0.46
O1[C@H](CC)[C@@](O)(C)[C@H](O)[C@@H](C)C(=O)[C@@H](C[C@](O)(C)[C@H](O[C@H]2O[C@@H](C[C@@H]([NH+](C)C)[C@H]2O)C)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@](OC)(C2)C)[C@@H](C)C1=O)C	72
CCCCCCCN(C/C=C\CCc1ccc(cc1)Cl)CC	0.238
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1	25.8
Cn1cc(-c2ccnc(C3COCCN3)c2)c(-c2ccc(F)cc2)n1	25.9
O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1nc(no1)-c1ccccc1	1.8
CCOC(=O)C1CCN(CCOc2ccc(cc2)S(N)(=O)=O)CC1	22.9
O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N1CCC1)CC2	0.08
COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1cncc(c1)C(F)(F)F	2.1
CCNC(=O)[C@H]1CC[C@@]2(C)CC[C@@H]3c4ccc(OCCCN5CCC[C@H]5C)cc4CC[C@H]3[C@H]12	4.1
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccc(c(c1)F)F	1.58
Cc1[nH]nc2c1c(=O)n(C[C@H](F)CN)c1cc(C3CCCCC3)c(cc21)C1CCCCC1	13.2
NC(=O)[C@@H]1CC[C@@H](c2ccc(OCc3ccccc3F)cc2)N1	5.0119
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1nccc(n1)C#N	10
CN(C)CCCNC(=O)c1ccc(Cn2c(Cc3c(Cl)cccc3Cl)nc3ccccc32)cc1	4.53
COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1	0.4074
Clc1c(ccn2c1nnc2CC1CC1)N1CCC(CC1)c1ccccc1	0.3
CN(C1CCNCC1)C(=O)N1CC(=CC1c1cccc(O)c1)c1cc(F)ccc1F	6.6
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(C)(=O)=O	20
COCc1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1	1.8
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)C(O)=O)c2cc(ccc12)C(F)(F)F	25
C[C@H]1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1cnccn1	10
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCO[C@@H]1C[C@H](C2)N1CCC(CC1)c1ccccc1	5.8
O=c1ccc2ncc(Oc3cccnc3)cc2n1CCN1CCC(CC1)c1nc2cc(ccc2[nH]1)C#N	1.4
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CC2COCC(C1)N2	10
OC(C1CCN(CCCOc2ccc(cc2)-c2ccccc2)CC1)(c1ccccc1)c1ccccc1	0.1
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2)c(Cl)c1	19.9
CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccc3OCOc3c2)c2cc(ccc12)C(F)(F)F	4.7
O=C(N[C@@H]1CN(C1)[C@@H]1CC[C@H](CC1)c1ccc2c(c1)OCO2)CNc1nn(c2c1cc(cc2)C(F)(F)F)C(=O)NC(C)(C)C	4.7
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C2CC2)n1C	4
CS(=O)(=O)c1ccc(c(F)c1)-n1cc(Cl)c(OC2CCN(CC2)c2ncc(Cl)cn2)cc1=O	1.4
Cn1cnc(-c2cnc(O[C@@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C[C@H]3F)c(C(N)=O)c2)c1	7
C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O	37
CCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O	0.19
O=C(c1cccc(c1Cl)Cl)N(C1CCNC1)C1CCCC1	10.3
Fc1cc2c([N+](=C[C@@H](C(=O)[O-])C2=O)C2CC2)c(OC)c1N1C[C@H]([NH2+]CC1)C	128.0001
CCOC(=O)N1CCC(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1	0.8
CN(Cc1cccc(F)c1CNc1cc(F)c(S(=O)(=O)Nc2cscn2)c(F)c1)C(C)(C)C	26.3
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)S[C@]1(C)CCC(CC1)c1nnn(n1)C	4.4
s1c2Nc3c(N=C(N4CC[NH2+]CC4)c2cc1C)cccc3	14.2
CN1CCC(COCc2cc(ccn2)C(F)(F)F)(CC1)c1ccc(F)cc1	29
CC1(C(=O)N2CCO[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)C2)COC1	14.4
O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCN(CC1CC1)C3	0.16
s1c2Nc3c(N=C(N4CC[NH+](CC4)C)c2cc1CO)cccc3	11.6
CN(C)c1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C	33
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H]2C)cc1	2.9
CC(N1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N)c1ccccc1	1.4
CCOC(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)S(=O)(=O)C	25
CCN(CCCC(=O)NCCO)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1	33
Cc1ccc(cc1)COC(=O)N1CCC(CC1)COc1ncccn1	10
Clc1ccc(Cn2c(nc3cc(Cl)c(Cl)cc23)-c2ccc(=O)[nH]c2)cc1Cl	5
CCC(NCCCC[C@@H](Oc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1	2.7
CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc(C)c(C)n4-c4ccc(F)cc4)cc3)CC2)c1	1.7
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(Cl)c(Cl)c1	10
CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1	2.3
Cc1ccc2c(c1)N1N=C(C(C1CO2)(CCCN1CCOCC1)c1ccccc1)C(=O)C	6.3
Brc1ccc2c(c1)C1(NC(C)CCc3c1[nH]c1c3cccc1)C(=O)N2	30
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCn3cccc3C2c2ccccc2)c1	1.3
N=C(Nc1ccc(I)cc1)NC12CC3CC(CC(C3)C1)C2	2.6
OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1	14.5
Clc1cc2cc(n(c2cc1)-c1ccc(F)cc1)CN(C)C	26
CN[C@H]1CCC[C@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1	33
O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ccncc2[nH]c1=O	46
C=CC(=O)N[C@H]1CCN(c2ccc(C(N)=O)c(Nc3ccc(N4CCOCC4)nc3)n2)C1	1.5
N#Cc1ccc(O[C@H]2CN(S(=O)(=O)c3ccc(Cl)cn3)C[C@@]2(O)CN)cc1F	20
Cn1c(SCCCNC2CCC3C2(C3)c2ccccc2)nnc1c1ocnc1C	7.94
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(SC)o1	1.6
FC(F)Oc1ccc(cc1OC(C)C)[C@H](C=1C=C[C@@H](NC=1)C(O)(C)C)c1cc[n+]([O-])cc1	41.5
NC1=NC2(CO1)c1cc(Br)ccc1OC1(CCCC1)C21COC1	10
O=C(Cc1ccc(cc1C(F)(F)F)C(F)(F)F)NC1N=C(c2ccccc2)c2c(N(C1=O)CC(F)(F)F)cccc2	6
C[C@@H]1CC[C@@H]([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c2nc(CN3CCOCC3)ccc21	3.31
COC(=O)N1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	0.7
NC(=O)[C@H]1CCC[C@@H](c2ccc(OCc3cccc(F)c3)cc2)N1	3.1623
CC(=O)NC1CCC(c2nnc(SCCCN3CC[C@]4(C[C@@H]4c4ccc(C(F)(F)F)cc4)C3)n2C)CC1	6.9183
FC(F)(F)c1ccc(NC(=O)CN2CCCN(Cc3nc4ccccc4[nH]3)CC2)cc1	4.97
CNC1CCCC(C1)c1c[nH]c2c1cc(cc2)NC(=N)c1cccs1	33
CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)c1cccs1	30
Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCCCC3)o2)c(Cl)c1	1.9953
CS(=O)(=O)c1ccc(c(F)c1)-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC44CC4)n3)c2c1	2
O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCCC2)cc1	0
O=C(Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(c3ncc(Cl)cn3)CC2)c(F)c1)N1CCC1	3.5
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)C(=O)N1CCN(C)CC1	20.5
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2cccnc2)c2cc(ccc12)C(F)(F)F	24
CCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1	33
OCCN1CCN(CC\C=C/2\c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1	7.9433
Cn1cc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cn1	0
COCc1ccc(-c2cc3c(cc2F)ncc2c3n([C@@H](C)C3CCOCC3)c(=O)n2C)cn1	15
FC(F)(F)c1ccc(CNC(=O)N2CCC[C@H]2CN2CCCC2)cc1	40
Cc1cnc2c(cn(Cc3ncnc(OC(F)F)c3C)c2c1)C(=O)NCCO	33
C[C@@H]1N[C@H](C)CC[C@@H]1Nc1ncc(C(N)=O)c2sc(-c3ccccc3)cc12	8.4
COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(n1)C(F)(F)F	3.9
CC(CN(C(=O)c1cccc(c1F)Cl)C1CNCC1)C	10
Nc1nc2ccc(OC3CNC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F	33.3
CN(CCNC(=O)c1ccc(cc1)Nc1ncc(c(n1)c1cnc(n1C(C)C)C)F)C	65
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(O)c3ccccc3	51.2861
OC1CN(CCC1c1ccc(cc1Cl)F)C[C@H]1C[C@H](O)c2c(C1)cccn2	50
CC1(C)Oc2ccc(NC(=O)c3cnc(cn3)C(F)F)cc2[C@@]2(COC(N)=N2)C11CC1	15.1
CCCCCCCC[N+](C)(C)C	318
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)C1(CCC1)C(=O)O	45
Cc1cccc(n1)-n1nc(C)c(cc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1	30
Cc1ccnc2c3c(nn12)CN([C@H]1CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1)C3	97
Cc1[nH]c2ccccc2c1CCN1CCc2ccc(\C=C\C(=O)NO)cc2CC1	3.2
O=C1CC2CCc3cc(OC4CCN(CC4)C4CCC4)ccc3C2=NN1	18
Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F	13.6
OC(c1ccc(F)c(Cl)c1)(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(F)(F)F	10
[NH+](CCCN(C1Cc2c(C1)cccc2)c1ccccc1)(CC)CC	0.23
O=C(Cc1csc(n1)N)Nc1ccc(cc1)CC1CCC(N1)C(c1ccccc1)O	11.2
NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Cl)cc3F)ccc1OCC21CC1	10
COc1ccc(cc1)[C@H]1CN(CCCC2CCOCC2)C[C@@H]1CNC(=O)c1cccc(Cl)c1	1
Cc1c(o[nH]c1=O)C1CCN(CC1)C(=O)NC1CC1c1ccccc1	30
Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cccnn1	0.12
CC(C)CC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C	2.7
CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1	9
O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2)CCc2cccnc12	11
CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](CO)C1	14
CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3)cc1)C(=O)O	23.9883
O=C(c1cc(F)cc(Cl)c1)N1CCn2nc(-c3ccc(F)cn3)cc2C1	15
CCN1CC2[C@](C1)(CCCC2)c1ccc(c(c1)Cl)Cl	4.73
Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2F)nc2sccc12	0.18
O=c1n(Cc2ccccc2)c2sc3c(c2c2ncnn12)CCN(CC1CCOCC1)C3	0.57
Cc1cc(C)nc(n1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(F)cccc1-n1nccn1	10
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)c1	100
Fc1ccc(cc1C#N)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O	6.3
CO[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1	189
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccccc1Cl	80
O[C@@H](CCC[N+]1CCC(CC1)C(O)(c1ccccc1)c1ccccc1)c1ccc(cc1)C(C)(C)C	0.0084
O=C(n1ccc2c1cc(cn2)OC1=NC=N[C@@H]2[C@H]1CNC2)Nc1noc(c1)C(C)(C)C	30
COc1ccccc1c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.25
NC1=NC2(CO1)c1cc(ccc1OC(CC1CC1)C21COC1)-c1cncnc1	10
CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)C1CC1	0.2
Clc1cccc(c1N1C(=O)NCc2c1nc(nc2c1ccccc1Cl)N1CCOCC1)Cl	5
O=C(c1ccc(s1)n1cnc2c1ccc(c2)OC(F)(F)F)NC1CC1	2.8
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)c(Cl)c2)n1C	1.0667
COc1ccccc1CC(N1CCNCC1)c1ccccc1	34.3
CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3COC(Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O	40
CCCCc1cc(OC2CCN(CCCCN(C)S(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl	0.2512
O=C1N(CCCCC2CCc3cc(-c4ccc(Cl)cc4)ccc3O2)CCN1c1ccncc1	1.75
Cc1cn([C@H]2CCCN(C2)S(=O)(=O)c2ccc(O)c(Oc3cccc(Cl)c3)c2)c(=O)[nH]c1=O	27
COc1cc2c(cc1OC)nc(nc2N[C@@H]1CNC[C@H]1C(O)(C)C)c1cc(F)ccc1O	22
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1cccc(C)c1)C#N	30
COc1ccc2ncc(F)c([C@H](O)CN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1	63.1
OCC(Cn1c(=O)n(c2c1cccc2)C1CCN(CC1)CC1C2CCC(C31CC3)C2)O	25
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1cccc(C)c1)C#N	11.3
COc1ccc(cc1)S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1	30
Clc1ccc(cc1)C1CNCC=CC1	31
COC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1	6
NC(=O)c1ccc2cc1NCC1CCN(C1)CCCc1n2c2CC(C)(C)CC(=O)c2c1C	0.44
OC(=O)C1CN(CCC21NC(=O)N(C2=O)c1ccc(cc1)c1ccccc1)Cc1ncccc1C	20
CC1CCCN1CCN1CCc2c(C1=O)ccc(c2)c1ccc(cc1)C(=O)N1CCCC1	9.6
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1C	0.9
C=CCOc1cc(F)c(cc1C1CC1CN)F	9.1
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccc(Cl)cc1	23
COc1ccc(cc1)C1CN(CC1CNC(=O)c1cccc(c1)Cl)CCCC1CCNCC1	20.3
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(ccc1Cl)S(N)(=O)=O)c1cccc(F)c1	50.1
NC1=NC2(COC1)c1cc(ccc1OCC21CC1)-c1cncnc1	10
N#Cc1ccc(OCCCN2CC3CN(CCNS(=O)(=O)c4ccc(F)cc4F)CC(C2)O3)cc1	3.2359
CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(SC)nc2[nH]cc(C#N)c12	1.7
CCOC(=O)C1=C(CN2CCOCC2)NC(c2cccs2)=NC1c1ccc(F)cc1Br	0.9
CC(NCCN1CCCc2c1ccc(c2)NC(=N)c1cccs1)C	27.5
FC1CCN(C1)C(=O)C(C(C1CCC(CC1)N(C(=O)c1cccc(c1)F)C)C)N	78
COc1ccc2c(c1)c(ccn2)NC(=O)C1(O)CCC(CC1)NCc1ncc2c(c1)OCCO2	200
Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1C(C)C	10
Fc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O	6.3
O=C(NCC1(CCCC1)N1CCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1	7.1
O=C1N(C[C@H](N1C1CCN(CC1)Cc1ccc(nc1)Sc1ccc(cc1)C(=O)O)c1ccccc1)C1CCOCC1	30
CCCCCC[N+](CC)(CC)CC	183
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnn(c4)C(C)(C)C)nn3c(N)nc12	60
OC1CN(CCC1c1ccc(cc1C)F)C[C@@H]1CCc2c([C@H](C1)O)nccc2	13
C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc2cc(C)ccc2c1)-c1cc(Cl)cc(Cl)c1	10
COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](O)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4c(C)c3F)c2n1	0.9
O=C1OCc2cc(CCN3CCN(CCc4ccc5C(=O)OCc5c4)CC3)ccc12	1.9
COc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1	2.5
[2H]C(Nc1cc(C(F)(F)F)cc2ncc(N3CCN(C)CC3)cc12)c1cccc([N+](=O)[O-])c1	1.27
OC(=O)C(F)(F)F.NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCC=C	0.27
CNCc1ccc(Cl)cc1Oc1ccc(C)c(C)c1	1.7
C[C@H](c1nc(-c2ccc(Cl)cc2Cl)no1)[C@H](N)C(=O)N1CCCC1.O=C(O)C(F)(F)F	36.7
C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1	0.5714
CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccn2C)=NC1c1ccc(F)cc1Br	0.17
NC1=NC2(CO1)c1cc(Br)ccc1OC(CC1CC1)C21COC1	10
N#Cc1ccc(NC(=O)[C@H](CN2CC(O)C2)Oc2ncnc3c2cnn3-c2c(Cl)cccc2Cl)nc1	6.3096
C[C@@H](Oc1nc(cc2ncsc12)-c1cnn(c1)C(F)F)[C@H]1CNC(=O)O1	30
N#Cc1cccc(-c2cccc(Cl)c2CC(c2cccnc2)c2cccnc2)c1	2.56
COc1ccc(cc1)CCN1CCC(CC1)C(=O)c1ccc(cc1)Cl	0.037
Clc1cccc(c1)N1CCN(CCN2CCC(CC2)c2nnc(o2)-c2ccccc2)C1=O	0.25
CN(Cc1ccc2c(c1)CC[C@@H](C2)N(C(=O)c1ccc(cc1)c1cccnc1)C)C	10
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N	3.58
NC1=NC(c2cccc(F)c12)(c1ccncc1)c1cccc(c1)-c1cncc(F)c1	1.6
O1Cc2c(cccc2)\C(\c2c1cccc2)=C\CC[NH+](C)C	6.4999
O=C1CC[C@]2([C@H]3[C@H]([C@H]4CC[C@](O)(CCC(=O)[O-])[C@@]4(CC3)C)C=CC2=C1)C	104.0001
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccoc1	8.4
CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc(C23CCC(C(=O)O)(CC2)CC3)n2ccnc(N)c12	26
CCN(CC)C1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1	9.4
C[C@@H](Nc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12)C1CCOCC1	4.3
Cc1cnsc1N1CCC2(CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)C1=O	7.9
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc2cccnc2nc1C	40
Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1	0.5
NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(CC4)c4nc5cc(ccc5[nH]4)C#N)c3c2)cc1	33
CC(C)(C)c1csc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N	6.3
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1ccccn1	33
COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1	37
Clc1c(Cl)cccc1N1CCN(CC1)CCCCCOc1ncc2c(c1)cccc2	0.21
O=C(c1ccccc1F)Nc1ccc(cc1)c1nnc(o1)NCCCN1CC2CC1CC2	6.3
N[C@H](COc1cccc2c1NC(=O)CO2)CN1CCC2(CC1)Cc1cc(F)ccc1O2	1.1
O=C(N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)C1CCN(CC1)c1ncnc(c1)C(F)(F)F	30
Cc1c([C@H](O)CN2CCN(C[C@@H](O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O	47
COCCN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccn2	0.063
COC(=O)NCCc1ccccc1c1ccc(c(c1)Cl)[C@H]1CNCC[C@H]1c1ccn(c(=O)c1)C	10.3
CN(C)CCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2cc(F)c(F)cc2[nH]1	3.9811
COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C	5.2
Cc1ccn2c3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3nc2c1	0.25
O=C(Cc1ccc(-n2cnnn2)cc1)N1CCN(CCc2ccc3nonc3c2)CC1	1.3
N(c1nc(cs1)-c1cn[nH]c1)c1ccccn1	33
C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc12)CN1CCNCC1	3.1
S(=O)([O-])(=NC(=O)NC1CCC(CC1)C)c1ccc(cc1)CCNC(=O)N1CC(C)=C(CC)C1=O	74.13
C/C(=N\NC(=N)N)c1ccc2c(c1)Cc1cc(/C(C)=N/NC(=N)N)ccc1-2.Cl.Cl	1.12
COn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1	0
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(F)(F)F)n1C	0.1585
CCOC(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1n[nH]c2c1cc(cc2)C(F)(F)F	9.1
CCc1cc2c(s1)CCN1Cc3ccccc3CC21	10.5
COc1cc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1C(O)=O	0
Fc1ccc2N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)C(=O)CCc2c1	3.4
CC#Cc1cncc(c1)c1cccc(c1)C1(N=C(c2c1cccc2F)N)c1cc(C)c(=O)n(c1)CC	2.8
Cc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCC3)cc1.Cl	3.8
CN(CCc1sc2c(c1C(n1cccn1)C)cccc2)C	2
FC(F)(F)C1CCN(CC1)C1CN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	3.87
O=C(O)C(=O)O.c1ccc(-c2ccc(OCCCCCN3CCCCC3)cc2)cc1	1.75
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)c2c1O	6.166
OC(COc1ccc(cc1)NS(=O)(=O)C)CNCCc1ccc(c(c1)F)F	1.63
CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC	38
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(OC(F)(F)F)c2)nn1	0.7
Fc1c(N2CC[N+][C@H](C)C2)cc2[N+](=CC(C(=O)c2c1C)C(=O)[O-])C1CC1	66.07
CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1	30
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCCCN3CCCC3)cc2)c1	100
Cl.C1CCN(C1)C12CC(C(CNC1)C(C2)c1ccccc1)c1ccccc1	2.6
CCC1=C(C)CC(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O	74.1
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O	33.1131
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ncccn4)nn3c(N)nc12	60
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCCN(C)CC1	6
NC(=O)c1ccc2cc1NC1CCCN(C1)CCCc1n2c2CC(C)(C)CC(=O)c2c1C	3.4
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1	0
COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](F)C3)c2c1	32
Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1C1CCCC1	0.1
CC#CCn1c(N2CCCC(C2)N)c(c2c1c(=O)n(Cc1nccc3c1cccc3)c(=O)n2C)C#N	21.7
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2cccnc2)c(Cl)c1	4.8
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cc(F)cc(c2)C(F)(F)F)n1C	1.6667
O=C(CC1CCN(CC1)Cc1ccn(c1)c1ccc(cc1)C(F)(F)F)NCC1(O)CCCCC1	1.17
OC(CN(Cc1cccc(c1)O)CCc1ccc(c(c1)Cl)Cl)COc1ccc(cc1)NS(=O)(=O)C	0.78
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4c3CCCC4)c2c1	8.635
ONC(=O)C=Cc1ccc(cc1)CNCCc1c([nH]c2c1cccc2)c1ccccc1	1.48
CNc1cc(Nc2cnc(C#N)c(O[C@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1	19
O=C(N1C[C@@H]2C[C@H](C1)C[NH+](C2)Cc1ccccc1)c1ccc(N)cc1	3.63
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(=O)n(C)c1	3.1623
Nc1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2	30
COc1cc(\C=C\c2nc(N)nc(Nc3ccccc3)n2)ccc1-n1cnc(C)c1	0.3
O=C1COc2ccc(CNC3CCN(CCn4c5nc(Oc6cncnc6)ccc5ccc4=O)CC3)nc2N1	224
Fc1cccc2CCC(=O)N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)c12	7.9
CN(C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1	0.3
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CC1)c1noc(n1)C(F)(F)F	30
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2Cc1ccc(cc1)CS(=O)(=O)C	6.6
C[C@@H]1CCCN1CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)CC[C@H](C(=O)NCC3CC3)[C@@H]12	4.1
CC(C)(C)CNc1nc(nc(N2CCOCC2)c1N)C#N	70
N#Cc1ccc2c(c1)[nH]c(n2)C1CCC2(CC1)OC(=O)N(C2)c1ccccn1	12.6
CC(C)N1CCN(CC1)C(=C)N(C)Cc1ccc(cc1)-c1ccccc1	8.1818
CC(C(C(F)(F)F)Nc1nc2cc[nH]c(=O)c2c2c1ccnc2)C	1.4
CN(C1CCN(C)CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F	14.6
O=C(c1ncc2c(c1)cccc2)N1C[C@H]([C@H](C1)N)C(=O)N1CCCC1	300
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccncn1	0
O=C(c1cccc2c1nc(o2)N)NC1CN2CCC1CC2	30
Cc1ccc(CN2CC[C@@H](N3CC[C@@H](c4ccc(O)cc4)[C@H](F)C3)C2=O)cc1	28
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)[C@@H](C)O	15
CSc1ccccc1C(=O)N(c1ccccc1)C1CNCC1	20
CCN(CC)CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O	0
Cc1cc(ccc1-c1ccnc(NCc2cc(n[nH]2)-c2ccccn2)c1)C#N	1.1
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cc4)nn3c(N)nc12	1.55
C[C@@]12C[C@@H](CC(C)(C)C1)N(CCN1CCN(C1=O)c1cccc(Cl)c1)C2	1.2589
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1cccs1	10
Fc1ccc(c(c1)F)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OCCCN1CCCC1	16
C[C@@H](COc1ccc(F)cc1[C@@H](C)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O	9.2
O[C@@H](c1cccnc1-c1cc(Cl)cc(Cl)c1)C(c1cccnc1)c1cccnc1	128
Nc1ccc(nc1)C(=O)N1CCC2(CC1)CCN(CC2)Cc1cccc2c1OC(O2)(C)C(C)(C)C	11.2
CNC(=O)c1ccc(cc1)-c1ccc(cc1)N1C(=O)N(c2cc(OC)ncn2)C2(CCN(Cc3ncccc3C)CC2)C1=O	8.5
Cc1ccc(-c2nnc(SCCCN3CC[C@]4(C[C@@H]4c4ccc(C(F)(F)F)cc4)C3)n2C)c(C)n1	0.9333
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CC4CC3CO4)ncc2c1	1.6
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(cnn1)C(F)(F)F	31.3
COCCCN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1	30
O=C1[C@H](CCN1Cc1ccccc1)N(CCN1CCOCC1)Cc1cncn1Cc1ccc(cc1)C#N	0.19
COc1cc(CCN2CCN(CC(F)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N	2.4
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cnccc2s1	100
Cc1nc2c(OC(F)F)cccc2n1-c1ccc(s1)C(=O)NC1CC1	28.8
N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1cc(F)cc(c1)F	0.3
Cc1ccc(cn1)C(N1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N)C	1.6
NC(=O)c1cccc(C[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1	0.2
N#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)nc1	5.5
FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2cccnc2)CC1	7.9
OCCCN(Cc1ccc(F)cc1)C(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	0.6
O=C(Nc1ccc2c(c1)c(C)cc(n2)N1CCC(CC1)N1CCCC1=O)COc1ccc(cc1)OC(F)(F)F	7
Cc1nn(C2CCNCC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1	29
CC(=O)N1CC2CN(CCOc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1	10
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCCCN3CCCCC3)cc2)c1	100
O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2)NC1CC1	3.8
CCOC(=O)C1=NN(\C(S1)=C1\S\C(=N/c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)N(C1=O)c1ccccc1)c1ccccc1	4.6
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3C)[C@H]12)C(N)=O	12
OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1	2.6
Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N	6.3
CCCOC(c1ccc(Cl)c(Cl)c1)C1CNC1.Cl	2.2
CN(c1ccc(-c2ccc(-n3cc(CO)cn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1	16
CS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)S(=O)(=O)CCCN	33
FC(F)(F)COc1ccc(OCC(F)(F)F)cc1C(=O)NC[C@@H]1[NH2+]CCCC1	3.91
Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1	3.16
OC(=O)C[C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1	30
CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3	0.8128
O=C(c1cccc(c1Cl)Cl)N(C1CNCC1)CC(F)(F)F	10
COc1ncc(cc1F)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)OCC(F)(F)F	25.1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1	0.6
C[C@H](c1nc(-c2ccc(S(C)(=O)=O)cc2Cl)no1)[C@H](N)C(=O)N1CCCC1.O=C(O)C(F)(F)F	37
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CCc1c(F)cnc2c1nc(OCC1CC1C(=O)O)cc2	30
O[C@@H](CN1CCC(O)(CC1)c1cccc(F)c1)c1ccc2NC(=O)CCc2c1	1.1
O=C([C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1)N1CC(c2ccccc2)(c2ccccc2)C1	0.29
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(c3)-c3cccnc3)C(=O)O[C@]12C)OC	40
Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1	0.144
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12	11.4815
O=C(NC1CN(C1)C1CCC(CC1)(O)c1cncs1)CNc1nccc2c1cc(cn2)C(F)(F)F	50
[O-][N+](=O)c1ccc(CCN2CCN(CCc3cccc(c3)C#N)CC2)cc1	0
CC(=O)N1CCC2(C1)CCCN(C2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)c1cccs1	10
O[C@H](CN1CC[C@H](CC1)c1nc2c([nH]1)cccc2)COc1ccc2c(c1)CCC2	0.01
C[C@H]1OC(=O)[C@]2(CC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12	20.4
Cc1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1	0.396
NC(=O)N1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1	5.36
COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(COCC(F)(F)F)nc1	15.8
CC(=O)O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC(=O)C	426.9999
Fc1cc2c(cc1)[C@H](C(C)C)[C@@](OC(=O)COC)(CC2)CC[NH+](CCCc1[nH]c2c(n1)cccc2)C	1.44
C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1F)C(=O)c1ccc(cc1)-c1cccs1	1.4
Brc1cc(F)c(Nc2ncnc3c2cc(OC)c(OCC2CCN(CC2)C(=O)CN(C)C)c3)cc1	1.5
Cc1cccc(Nc2nc(N[C@@H]3CCNC3)ncc2C(N)=O)c1	0.5
O=C(N1CCC1)[C@H]1NC[C@H](C1)N1CCN(CC1)c1ncccn1	100
CNC(=O)c1ccc(CC(=O)N(C)C2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1	2.1
O=C1[C@H]2CCN1c1ccccc1-c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1	2.6
Fc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1ccccc1	19.9
COc1cc(ccc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1	2.2
COc1cc(C(=O)N2C[C@@H](n3cc(C4CC4)nn3)C[C@H]2C(=O)N2CC[C@H](c3ccccc3)C2)ccc1CN	14
Fc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1	6.1
N[C@H]1CN(c2ccncn2)CC[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F	26.1
OCCNCCCN1CCCc2c1ccc(c2)NC(=N)c1cccs1	30
CC(C)CN(CC(C)C)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F	9.5
Fc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	1.6
FC1CCN(C1)C(=O)C(C(c1ccc(cc1)c1ccc(=O)n(c1F)C)C)N	100
Fc1cnc2c3c1C(O)(Cn3c(=O)cc2)CC12CCC(CC1)(CO2)NCc1ncc2c(c1)S(=O)(=O)CCO2	60
C[C@H]1Cc2c(ncnc2Oc2ccc3ccn(C(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c3c2)CN1	8.6
COC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCCC2C)cc1	1.2
CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)\C=C\c6cc(OC)c(OC)c(OC)c6	20.893
CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(CC)CC)c4ncccc34)CC2)CC1	2.5
CC(C1(CCC(C1)N1CCC(CC1)c1cncnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	1.41
FC(F)(F)c1ccc(cc1)C1(CC1)CN1C=Cn2c(nc(c2)C)C1=O	14
CCOc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1	5.8
O=C(NC1CCN(C1)C1CCC(CC1)(O)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F	30
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCCC(C2)C(=O)N2CCCC2)c1	11.7
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)C(C)(C)C	6.8
COc1ccc2c(c1)n(CCN1CCC(C(C1)O)NCc1ncc3c(c1)OCCO3)c(=O)cn2	10
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc[nH]n2)c1	26
Clc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	3
Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(OC(F)(F)F)cc2)c1	30
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1	29.367
Clc1cccc(c1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.25
C#Cc1ccc(cc1)COC(=O)N1CCC(CC1)CNc1ncccn1	5
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(n2)C(F)(F)F)C1=O	80
Clc1cccc(c1)N(C(=O)c1cncn1C)Cc1cc(=O)[nH]c2c1ccc(c2F)F	8
Fc1ncccc1-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1	1.3636
CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O	1.1
O=C1CN(CCN1c1ccc(cc1)OC1CCN(CC1)C1CCCC1)C(=O)c1ccc(cc1)S(=O)(=O)C	63
CN(C1CCCCC1N2CCCC2)C(=O)Cc3ccc(Cl)c(Cl)c3	1.7783
CCOc1cccc(c1N1CCCC(C1)N)/C=C\1/SC(=O)NC1=O	30
Cn1c2c(C#N)c(N3CCC[C@H](N)C3)n(Cc3ccccc3)c2c(=O)n(Cc2nccc3ccccc23)c1=O	2.8
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(F)c1	70
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1ccccn1	11.2
CCCC[C@@H](CCO)Nc1nc(N)nc2c(F)cccc12	4.47
O=C(NC1CCC(CC1)(O)c1ccc(cn1)O)CCc1ccccc1	30
Cc1cc(O)ccc1[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1	30
Cc1[nH]ncc1-c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F	0
O=C(O)CC1COC2(CCN(c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)CC2)C1	19.5
CC\C(=C(/c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1	33
CCn1cc(cc(c1=O)C)C1(N=C(c2c1cccc2F)N)c1cccc(c1)NC(=O)c1ccc(cn1)Cl	1.3
CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1	1.5
CN1c2ccccc2C(=N[C@@H](NC(=O)CCC2CCCCC2)C1=O)c1ccccc1	1
O=C(c1ccc(F)cc1)N1CCN(c2ccc(OCCCN3CCCCCC3)cc2)C(=O)C1.O=CO	12.5892
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(=O)(=O)CC)ccc1OC	0.18
COc1cc(ccc1n1cnc(c1)C)c1nnn(c1)C1C[C@H](CCN(C1=O)Cc1ccccc1)C(F)(F)F	5.48
CC1CCCN1CCc1ccc2nc(-c3ccoc3)ccc2c1	8.4
Nc1nccn1CC(O)c1ccc(Cl)cc1F	60
Fc1cccc(Cn2cc(NCCN3CCCCC3)nn2)c1	10
FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1	3.9811
CN1Cc2ccccc2[C@@H](N=C1CCc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1F	85
COc1cc(OC)cc(C(=O)NCC2(C(=O)O)CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1.Cl	12.08
O=C1CCc2c(N1)ccc(c2)[C@@H]([C@H](N1CC[C@](CC1)(O)c1ccc(cc1)F)C)O	8.6
Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1ccccn1	0.63
CC(C)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1	17.6
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OC(=O)c3cc(F)c(F)cc23)c(C)c1	12.9
CCCS(=O)(=O)Nc1ccc2c(c1)[nH]c(n2)Cc1ccc(cc1)Oc1ccccc1	0.4
CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(C(F)(F)F)nc2)cc1	21.7
OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOC[C@H]1C)N1CCOC[C@H]1C	30.4
NC1CN(CCC1c1cc(F)c(cc1F)F)c1cnc2c(n1)nccn2	9.9
Clc1cc2NC(=O)Cc2cc1CC[N+]1CCN(CC1)c1[nH0]sc2ccccc21	0.12
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1	0
CC(C)Oc1ccc(NC(=O)c2cc(N(C)Cc3ccc(F)cc3)ncn2)cc1	4.1
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4cccc(Cl)c4)cc23)CC[C@]1(C)N	6
O=C(N1CCC(CC1)CNc1ncccn1)OCc1ccccc1C	10
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1nccs1	50
CC(C)Cc1ccc2nn(C)cc2c1N(C(F)F)S(=O)(=O)c1ccc(CCCCC2CCN(C)CC2)cc1	6
o1c(ccc1C)-c1nc(NC(=O)CC2CCN(CC2)C)cc(n1)-n1nccc1C	4.17
Oc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1	9.3325
Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O	6
Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1	3.4
Fc1ccc(c(c1)F)[C@@]12CO[C@@H](C[C@H]2CSC(=N1)N)c1occ(n1)C	2.3
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccn1	30
Fc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1	3.5
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)C(C)(C)C)nn1	0.39
CC(C)(CN1C(C(=O)NCCCF)c2ccccc2C1=O)c1ccc(Cl)cc1	33
CCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1	6.68
OCCn1nc(c(c1CC)Oc1cc(F)cc(c1)C#N)CC	400
O=C1CC[C@@]2([C@H]3[C@H]([C@H]4CC[C@@](O)(CCC(O)=O)[C@]4(CC3)C)C=CC2=C1)C	104.2
CCCOc1ccc(c(c1)C(F)(F)F)c1noc(c1)Cn1ncc2c(c1)nc(n2)c1cccc(c1F)F	10
O=C(NC[C@H]1[C@@H]2CN(C(=O)CCc3cc(Cl)cc(Cl)c3)C[C@H]12)c1ccc2[nH]c(=O)oc2c1	8.1
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4ccnc5cccnc45)C3)C(=O)O[C@]12C	196
CNCc1ccc(Cl)cc1Oc1ccc(Cl)cc1	0.6
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O	5
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)N1CCC(C)CC1	22.4
Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3ccccc23)c1Cl	33
CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O	25.9
COc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1	8.4
CN1CCN(CC1)CCCN([C@@H]1CC[C@]2(C1C2)c1ccc2c(c1)onc2N)C(=O)Nc1ccc(c(c1)C(F)(F)F)F	0.69
O1CCC[C@@H]1C(=O)NCCCN(C)c1nc(c2cc(OC)c(OC)cc2n1)C	83.3
Cc1cncc(Nc2cc(NC3CCN(c4ccc(C#N)cn4)CC3)c(C(N)=O)cn2)n1	5.4
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)cc1	0
CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(C(=O)N2Cc3cn(-c4ccccc4F)nc3C2)c1	4.3
COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.Cl.Cl	0.3981
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(Cl)cc1	1.3
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)[C@H](C)N	9.4
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)CCN(C)C	4
O=C(Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(c3ncc(Cl)cn3)CC2)nc1)N1CCC1	2.1
O(CC(=O)N[C@@H]([C@H](O)C[C@H](NC(=O)[C@H](N1CCCNC1=O)C(C)C)Cc1ccccc1)Cc1ccccc1)c1c(cccc1C)C	8.6
Cc1c(CNC2CCCC2F)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl	30
O=C(CNCC1CCCCC1)N1CCc2ccccc2C1C1CCCCC1	26
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1	80
CC(Nc1nc(c2ccccc2Cl)c2c(n1)N(C(=O)NC2)c1c(Cl)cccc1Cl)C	5
O=C(NC1CN(C1)C1CC[C@](CC1)(N)c1ccccc1)CNC(=O)c1cccc(c1)C(F)(F)F	6.2
N[C@H]1CCCC[C@H]1Nc1cc(Nc2cccc(n2)C2CC2)c(nn1)C(N)=O	3.9811
O=C(N1Cc2ccccc2C1)N1CCN(CC1)C1CC1	52.5
Fc1cccc(c1)-n1cc(NCCN2CCCOCC2)nn1	10
C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12	8.5
Clc1cc(Cl)cc2c1cc(c1c2cc(cc1)C(F)(F)F)[C@H](O)CC[NH3+]	0.71
COc1nn(C2CCN(C(C)=O)CC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1	6.6
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1	2.3
Cc1cn[nH]c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1	5.3
CCC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N	0.49
CC1(C#N)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1	10
NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12	19.7
N[C@H]1CN(c2ccc3nc(C(F)(F)F)nn3n2)CC[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F	8.1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)-c1cc[nH]n1	2
Clc1cc(C(=O)NCC[NH+](CC)CC)c(OC)cc1N	5.4
CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3nc(N)n[nH]3)CC2)C1	19
CCC[C@@H](CCO)Nc1nc(N)nc2c1CN(C(=O)c1csc(C)n1)CC2	22
COc1cc(C(O)(CCN(C)C)C(c2cc3cc(Br)ccc3nc2OC)c2ccnc(OC)c2OC)cnc1OC	3.6
COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	3
C[C@@H]1Cc2c(O1)c(ccc2)CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1	20.9
CC1CC(Cc2nc3cc(C)c(C)cc3n2Cc2ccc(Cl)cc2)CCN1	0.6
OCc1ccc(OC2CCN(CC3CCN(CC3)C(=O)c3ccccc3C(O)=O)CC2)cc1Cl	97723.7
NC1Cn2c(CC1c1cc(F)c(cc1F)F)nc1c2ccnc1	89
O=C(Nc1ccc(F)cn1)[C@H](CN1CC(O)C1)Oc1ncnc2c1cnn2-c1c(F)cccc1Cl	25.1189
O=C(NCC1(CCCC1)N1CCOCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1	10
FC(F)(F)Oc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N	0.1
CC(C)(C)c1cc(NC(=O)n2ncc3cc(Oc4ncnc5c4CNC5)ccc32)no1	7.7
O=C1OCCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21	43
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1cccnc1	3.8
O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1	0.1
Cc1ncoc1-c1nnc(SCCCNC2CC3CC3(C2)c2ccccc2)n1C	7.9
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(C#N)ccc3nc2OC)c2cccc3c2OCCO3)cc(OC)n1	4.4
COc1cccc([C@H](c2cc3cc(C#N)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1F	5.1
CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O	25
Cn1cc2c(OCC3CCN(CCc4ccc(cc4)C(O)=O)CC3)nc3ccccc3c2c1	9.96
CC1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C(F)(F)F)(O)C)CC1(CCC1)C(=O)N	65
CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cn(C)c(=O)cc32)cn1	3.67
CCCC1(CCCN1)C(=O)c1ccc(Cl)c(Cl)c1	3.1
CCO/N=C(\c1ccc(c(c1)F)F)/c1ccc(cn1)CN1CC[C@]2(CC1)OCc1c2cc(=O)n(c1)C	3.67
O=C(CCCS(=O)(=O)c1ccccc1)NC1CCOC1=O	109.01
O=c1n(Cc2ccc(Cl)cc2F)c2sc3c(c2c2ncnn12)CCN(CC1CCOCC1)C3	0.61
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3cc[nH]n3)c2c1	8.305
COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)c(F)c1	9.67
N#Cc1cncc(c1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	1.2
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(-n4cnnn4)cn2)C3)ccc2c1COC2=O	3.29
O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)C#N)CC3)nc2N1	41
O=C(N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCSc2ccccc2C1	4.406
Oc1ccccc1C1CCN(CC1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	4.1
COc1cc2ccc(Br)cc2cc1[C@@H](c1cccc(OC)c1F)[C@@](O)(CCN(C)C)c1cccc2c1CCC2	3
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2cccc(c2)C(F)(F)F)CC1	0.89
CCCOCCn1c2cc(ncc2nc(N2CCN(C[C@@H](C)O)CC2)c1=O)-c1ccc(OC)nc1	0.2
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C#C	8
COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)cc1	28
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1	10
COc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12	10
Cc1cc2nc(\C=C\c3ccco3)n(Cc3ccc(Cl)cc3)c2cc1C	10
Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1	50
CCCCCCCN1CCC(Cc2ccccc2)CC1	0.058
COc1cc([C@](O)(CCN(C)C)[C@H](c2cc(OC)nc(N(C)C)c2)c2cc3cc(C#N)ccc3nc2OC)cc(OC)n1	9.4
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C	29.2
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOC[C@@H]2C)c2ncc(nc2n1)-c1ccccc1	13.2
O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(Cl)cnc3ccc2=O	60
O=C(N1CCC(CC1)CNc1nccs1)OCc1ccccc1	1.07
Cl.c1ccc(OC(c2ccc3ccccc3c2)C2CNC2)cc1	0.83
FC(F)Oc1ccc(cc1OC1CCC1)[C@H](C=1C=C[C@@H](NC=1)C(O)(C)C)c1cc[n+](O)cc1	22.4
Cc1nc(NC(=O)c2cc(CNC(=O)C(C)C)cnc2C(F)F)[nH]c1-c1ccc(C(F)(F)F)cc1	0.0826
COc1nn(C)cc1C(=O)Nc1cccc(-c2cncn2C(C)C)n1	15
CN(CCCC(=O)NC1COC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1	33
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](C3)NC(=O)OC)nc2cc1Cl	2
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl	5
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1	16
OCCc1cc(ccc1O)[C@H](CN[C@H]1CCc2c(C1)cc(cc2)OCC(=O)N(C)C)O	10
CCCCN(CC)CC#CCOC(c1ccccc1)c1ccccc1	4.81
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CCCO	30
N#CC1=C[C@]2(C)[C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@]23[C@@]1(C)CC[C@@]1([C@@H]3CC(C)(C)CC1)C(=O)N2C1CCCCC1)C	40
CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O	30
FC(F)Oc1ccc(cc1OC(C)(C)C)[C@H](C=1C=C[C@@H](NC=1)C(O)(C)C)c1cc[n+]([O-])cc1	25
COc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12	15
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	17.5
CCCN(c1ccon1)P(=O)(c1ccccc1)c1ccccc1	33
COCCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1cc(C)ccc1F)C(=O)N	21
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1	30
CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cnccc2C(F)(F)F)C1=O	3.3
Clc1cc(ccc1C(=O)N1CCCC1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	9.3
COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc23)c1C	33
COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(C)c(C)c5)CC4)C(=O)O3)c2c1	6.3
CC(C)n1nc(oc1=O)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1	27.9
NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n([C@@H]3CCCNC3)c2n1	1.5
C[C@@H]1CN(CC(C)=O)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl	10
COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C	1.3
NC1Cn2c(CC1c1cc(F)c(cc1F)F)nc1c2ccc(c1)NS(=O)(=O)C	2.5
COc1cc(ccc1OCCN1CC[C@H](C1)O)n1cnc2c(c1=O)sc(c2)c1ccc(cc1)Cl	2
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)c1	0
N#Cc1cc(c2ccncc2)c([nH]c1=O)C	100
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-n1cccn1)c1cc(=O)[nH]cn1	9
CN1CCCCC1C(=O)Nc1c(C)cccc1C	154.8817
Fc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	31.6
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)S(C)(=O)=O)C(F)(F)F	10
COc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1	1
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1c2cccn1)c1ccc(cc1)c1ccccc1	0.12
CC(C)c1ccc(-c2cc(CN3CC[Si](C)(C)CC3)nn2C2CCCCC2)cc1	8
CN1CCOc2c1cnn1c(-c3ccc4ccnc(NC5CCCCC5)c4c3)nnc21	4
NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1	0.68
Oc1ccc2c(c1)[nH]c(n2)Cc1ccc(cc1)Oc1ccccc1	0.72
NC(=O)C(c1ccc(cc1)Cl)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	100
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C	0.1585
COc1ccc(-c2ccc3ncnc(-c4cncc(C(=O)N5CCN(C)CC5)c4)c3c2)cn1	26
CC(C)=CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12	2
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccccc1F	0.1
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2CCCc1ccccc1	0.25
C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O	5.8
CCN[C@@H]1CCC=C(c2ccc(F)cc2)[C@H]1COc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl.Cl	4.4
O=C(CCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2c3c(c1)CCN3C(=O)CC2	0.8237
CCON=C1CCC(CN2CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)CC1	38.92
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc3cccnc23)nn1	5.4
COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1	2.1
NC(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1	1.9
CCc1cc(C(=O)NC[C@H](C)N(CC)CC)cc(-c2cnn3ccc(-c4cccs4)nc23)n1	3.28
NCC1CC1(c1ccccc1)C(=O)N(CC)CC	10
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C12CNCC2C1	2
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCO)cccc2	100
CC1=C(Oc2ccccc2S1)c1ccc(OCCCN2CCCC2)cc1	0
Fc1cnc2c3c1C(O)(Cn3c(=O)cc2)CC12CCC(CC1)(CO2)NCc1noc(c1)c1cccs1	0.016
CN(CCN1CCCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21	10
Clc1ccc(cc1)C(NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)CCCN1CCOCC1	74.8
CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1	5
OCCONC(=O)c1ccn2cncc2c1Nc1ccc(I)cc1F	2.1
Cc1cc(Nc2ccnc3ccc(S(=O)(=O)C(C)(C)C)cc23)n[nH]1	6.371
O(C(=O)c1c2c([nH]c1)cccc2)C1C[C@@H]2[NH+]3[C@H](C1)CC(C2)[C@@H](O)C3	12.02
CN1CC2[C@@](C1)(CCCC2)c1ccc(c(c1)Cl)Cl	2.32
COCCC([C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1)C(O)=O	30
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccc3OCOc3c2)c1	0
O=C(c1cc(ccc1OC(C(F)(F)F)C)S(=O)(=O)C)N1CCN(CC1)c1ccc(nn1)C(F)(F)F	40
COC(=O)C1=C(C)NC(C)=C(C(=O)NC[C@H]2CCN(CCc3ccc(C)c(C(F)(F)F)c3)C2)C1c1cccc([N+](=O)[O-])c1	2.7
Fc1cc2OCCOc2cc1CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	60
Clc1ccc2occ(CC3SC(=O)NC3=O)c(=O)c2c1	0.1
CC(C)=CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3cn4ccccc4n3)c(=O)c12	1.8
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C	0.3
Cc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2	2.4
CS(=O)(=O)C1(CCOCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1	33
C[C@@H]1CC[C@@H](C)N1CCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1	7.9
C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(F)cn3)cs2)CO1	10.7
COc1ccc(cn1)C1CCC(CC1)N1CC(C1)NC(=O)CNc1n[nH]c2c1cc(cc2)C(F)(F)F	2.5
C1CC(CCO1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	0.38
OC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(c1)C(F)(F)F	0.3
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccc(cc3F)-c3nnn[nH]3)c2cc1F	10
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)nc3c2=O)C1	3.2
O=C(c1ccc(cc1)Oc1ccc(cc1)C#CC1(O)CN2CCC1CC2)NC1CCCS(=O)(=O)C1	100
CN(C)c1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0
N#Cc1cc(CCC(=O)O)ccc1OCC(CNC(Cc1ccc2c(c1)cccc2)(C)C)O	32.7
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1	22
COc1ccc(cc1)[C@H]1CN(CCCN(C)S(=O)(=O)c2ccccc2)C[C@@H]1CC(=O)Nc1cccc(Cl)c1	0.1
OCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	100
CNC(=O)CN1CCC2(CC1)C=C(c1c2cccc1)c1onc(n1)c1ccc(cc1)OC	33.3
FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1	7.9
O=C(NC[C@H]1[C@@H]2CN(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)C[C@H]12)c1ccc2[nH]c(=O)oc2c1	4.2
OC1CN(C1)C1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1	2
CCN(CC)C(=O)c1ccc(cc1C)C1=CC2(CCNCC2)Oc2ccccc12	4.48
COc1ccc(cc1)[C@H]1CN(CCC2(O)CCOCC2)C[C@@H]1CC(=O)Nc1cccc(Cl)c1	8.2
Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(c2cncc(C#N)c2)C3)ccc2c1COC2=O	1.8
N#Cc1cc(C(C)C)c2c(c1)nc(o2)c1ccc(cc1)C(=O)NCC1CCC(CC1)c1ccc(cc1)Cl	30
CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(OC(F)(F)F)c2)CC1	1.58
CC(C)OC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccc(F)cn1	25.1189
CCOC(=O)C1=C(CNC(Cc2ccccc2)C(=O)O)NC(c2nccs2)=NC1c1ccc(F)cc1Br	8.68
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1ccccc1	1.6
OC(=O)[C@H](Cc1ccccc1C#N)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	25.1
CCc1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	50
CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1	6
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1ccccn1	3.9
Fc1ccc(cc1)C(CCC[NH+]1CCC2(N(CNC2=O)c2ccccc2)CC1)c1ccc(F)cc1	0.003
CCOc1ccc2cc(-c3nn(CC4CN(C)C4)c4ncnc(N)c34)ccc2c1	1.4
Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3ccc(F)cc3Cl)CC2)n[nH]1	4
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	2.4
Fc1cnc2c3c1C(O)(Cn3c(=O)cc2)CC12CCC(CC1)(CO2)NCc1ccc2c(n1)NCCN2	60
Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4cc(Br)ccc34)C2)n1C	0.3
Cn1ncc(c1)CN1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N	30
OC(C1CCN(CC1)CCC[C@@H](O)c1ccc(cc1)C(C(O)=O)(C)C)(c1ccccc1)c1ccccc1	17.4
COc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1	1.89
Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F	4.9
CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F	0
Cc1[nH]c2ccccc2c1CCN(CCF)Cc1ccc(\C=C\C(=O)NO)cc1	5.77
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c(C)c1	4.2
CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCNCC1	5.1
COCCOc1ccc2c(c1)c(N[C@@H]1CNCC1)nc(n2)c1ccccc1O	0.5
Cn1c(SCCCN2CCC3CC3(CC2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1	5
COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl	50
CCSc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(C#N)ccc3nc2OC)c2ccnc(OC)c2OC)cc(SCC)n1	1.5
O(C[C@H](O)C[NH2+]C(C)C)c1ccc(cc1)CCOC	145
C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C	14
OCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	2.4
COc1ccc(cc1)C1CN(CC1CNC(=O)c1cccc(c1)Cl)Cc1ccc(c(c1)OC)OC	0.6
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	1.1
Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1	19.9
CC1CCCN1CCCOc1ccc(cc1)c1ccc(=O)[nH]n1	13.8
CCC(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O	20
CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)CC4)ccc3C)cc12	4.8
NC(=O)[C@H]1CC[C@@H](c2ccc(OCc3ccccc3F)cc2)N1	10
Fc1ccc(CCN2CCN([C@H]3CCc4cc(CN5CCC(CC5)C(F)(F)F)ccc4C3)C(=O)C2)cc1	2
Nc1ccc(-c2ccsc2)cc1N	1.5
CCCCCCCN(CC)CC#CCCc1ccc(C)cc1	1.89
NC1CN(CCC1c1cc(F)c(cc1F)F)c1ccc2n(n1)c(C)nn2	20.3
Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cn[nH]c1	4.2
Fc1ccc(cn1)c1ccc(cc1)C1COCC1NS(=O)(=O)C(C)C	12.6
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCCC22COC2)cc1	12
Cc1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)o1	19.9526
CC(=O)Nc1ccc(cc1)CN1CCC2(CC1)C(=NC(=O)N2c1cccc(c1)F)NC1CCCCC1	10
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(CCCOC)CC1)c1cccc(NC(=O)C2CC2)c1	13
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1	5.6
Cn1cncc1-c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1	2.7
O=C(C1(O)CCN(CC1)c1nccc(c1)C(F)(F)F)N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1	30
C[C@H](N)C(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	1.28
O=C1CCc2c(N1)ccc(c2)[C@@H]([C@H](N1CC[C@](CC1)(O)c1ccc(cc1)C)C)O	3.3
OCC(c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1c1ccc(cc1)C(F)(F)F)C(F)(F)F)(F)F	2.5
Cc1nccn1C[C@@H]2CCc3c(C2=O)c4ccccc4n3C	0.81
COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	49.6
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NCC1CCOCC1	47
O=C1[C@H](CCN1c1ccncc1)NCc1cncn1Cc1ccc(cc1)C#N	3.2
N#Cc1cc(Nc2nc(N)nc(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)n2)cn1C1CC1	30
CCC(=O)N1CCc2c(C1)nc(n2C1CC2CCC(C1)N2CCC(c1cccc(c1)F)NC(=O)C)C	5
CN1CCc2cc(Br)c(O)cc2C(C1)c3ccccc3	0.9333
O=C1CN(CCN1c1ccc(cc1)OC1CCN(CC1)C1CCC1)C(=O)c1ccccc1	63
Fc1cc(cnc1c1ccc(cc1)C(=O)Nc1ccccc1N)CN1CCC1	25
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CCc1c(F)cnc2c1nc(cc2)OC1CNC(=O)C1N	39.9
Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1	10.25
COCCN1CCN(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)S1(=O)=O	16.63
Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(F)c1	10
N#Cc1ccccc1COc1ccc([C@H]2CC[C@@H](C(N)=O)N2)cc1	15.8489
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1	100
COc1ccc(CCN2[C@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1	26.7
CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl	1013
Cc1c(C(O)CN2CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)CC2)ccc2c1COC2=O	33
CCCCN(CC)CC#CCCc1ccc(C)cc1	5.59
Fc1ccc(cc1)[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)C)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1ccc(c2)F	1.18
N#Cc1cnc(s1)Nc1ncnc(c1)N1CCCC(CC1)N	1
FC(F)C(F)(F)Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1	11.05
CC(C)Oc1ccc(C)cc1-c1ccc(nc1)N1CC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O	30
COc1ccc2ncc(c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1)S(C)(=O)=O	2
O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(=O)c2ccc(cc2o1)C#N	0
Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1	10
O=C(c1ccc(cc1)OC(F)(F)F)NC1COc2c(C1)c(ccc2)c1ccncc1	2.5
CNc1nc(NCCN2CCNCC2)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F	1.4
Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc(F)c4)n3C)CCc2c1	0.2512
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1	0.9
O=c1ccc2c(o1)cc1c(c2OCCCCc2ccccc2)cco1	5
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2c1CCN2C	1.3
N[C@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCS[C@H]1C(=O)NCc1ccc(cc1)N[C@@H](C(=O)O)C(C)C	408
ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1	100
NCc1c(C)nc2c(c1c1ccc(cc1Cl)Cl)CN(C2=O)CC(=O)N	80
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncnc1	10
Cc1onc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2cc(=O)n(C)c3cc(F)c(F)cc23)c1C	16
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ccncc2s1	100
O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2occc2c1	7.9
Clc1cc(C(=O)N[C@@H]2CCN(C[C@@H]2OC)CCCCCC(O[C@H]2C3CCN(C2)CC3)=O)c(OC)cc1N	24.5
O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4C(F)(F)F)CC3)ccc21	6.9
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCNCC1	1.5849
O=C1C2CCCCC2C(=O)N1CCCCN3CCN(CC3)c4nsc5ccccc45	0.7413
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N	4.0738
Nc1ccc(-c2ccccc2F)cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1	0.18
NCC(O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	3.3
OC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccn2)c2ccccn2c1=O	30
Cc1ncoc1-c1nnc(SCCCN2CCC3(C2)CCCc2ccc(Br)cc32)n1C	1.2589
CCN(CC)Cc1cc(Nc2ccc3ncc(-c4ccc([S+](C)[O-])cc4)n3n2)ccc1O	7.83
O=[N+]([O-])c1ccc2c(c1)ncn2Cc1ccc(O)c2ncccc12	22
Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1	10
CC1Cc2c3ccc(cc3[nH]c2C2(N1)C(=O)Nc1c2cc(Cl)cc1)Cl	30
CN1c2ccccc2C(=N[C@@H](NC(=O)C(N)Cc2ccccc2)C1=O)c1ccccc1	8.8
OC(=O)COc1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	10
COc1ccc(Cc2cc3c(=O)n([C@H]4CCCC[C@@H]4O)cnc3c3ccccc23)cn1	6.4
Cc1n[nH]c(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(cc23)-c2ccc(Cl)cc2)c1C	8.7
C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1	0
FC(F)(F)c1ccc(nc1)-n1ccc(CN2CCC(CC2)C(=O)NCc2ccc(Cl)cc2Cl)c1	3.5
COc1ccc2c(c1)nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O	4.3
CCCCN(CC)CC#CCOCc1ccc(Cl)cc1	7.37
NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12	0.1
CC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1	0.5
CN1CC2C(C1)C2CN(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)Cl)F	8.5
NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21	8.92
C[C@H](Nc1ccc2ncn(-c3cc(C)[nH]n3)c2n1)c1ncc(F)cn1	32
O(C)c1cc(ccc1OC)CC[NH2+]CCC[C@@](C(C)C)(C#N)c1cc(OC)c(OC)cc1	3.16
CCN(CC)CC.NC(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1	0.166
O=C1N(CC[C@@H]1[NH2+]Cc1n(cnc1)Cc1ccc(cc1)C#N)C(=O)c1cccnc1C	10
C[C@H]1CNC[C@H](C)N1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1	6.4
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccccc2C(F)(F)F)n1C	6.3
O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3ccccc3)cc12	3.7
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O	30
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1	0.8
COc1ccc2c(C)cc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1	23
FC(F)(F)c1ccccc1NC(=O)NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1	100
Clc1cc2OCCOc2cc1CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	60
CCC(=S)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@H](OC)C2)CC1	2.862
Clc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1	5.5
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc(C#N)c(C)nc1C	8.4
CC(c1ccc(cc1)COC(=O)N1CCC(CC1)CNc1ncccn1)C	5.8
COC1COCCC1N[C@@H]1C[C@H]2C[C@H](O)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1	0.245
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2cc(C)c(=O)n(C)n2)C3=O)ccc2c1COC2=O	2.7
N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1	8.1
N#CCCN1CCN(C(C1)C)c1cc2[nH]c(nc2cc1Cl)SC(C)(C)C	10
COc1ccc2ncc(C#N)c(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1	7.9
NC1=NC2(CO1)c1cc(ccc1OC1(CCCC1)C21COC1)-c1cncnc1	10
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1	29.6
CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1	3.4
NCC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	18.3
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCOc3ccccn3)C(=O)c3ccccc23)cc1	4.9
Cc1cc(F)ccc1C1CCN(CC2Cc3c(Cl)ccc(O)c3CN2)CC1	0.97
O=C(NC1CCN(C1)CCC1CCN(CC1)C(=O)c1ccccc1F)CNC(=O)c1cccc(c1)C(F)(F)F	10
COC1=CC=C2Nc3cc(Cl)ccc3C(=C2N1)N=C4C=C(CN5CCCC5)C(=O)C(=C4)CN6CCCC6	9.7724
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(cc2)C(F)(F)F)cc1	9.1
COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1scc(n1)C(F)(F)F	39
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCNCC3)ncc2c1	16.4
Cc1c(F)cc(cc1-c1cc2nnc(-c3c(F)cccc3Cl)n2n(C)c1=O)C(=O)NC1CC1	30
COc1cccc(c1)C1CCCN(CCN2CCN(C2=O)c2cccc(Cl)c2)C1	0.1995
FC(F)(F)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(C3)S(=O)(=O)c2ccccn2)cc1	10
CC[C@H]1C[C@H]2CN3[C@@H]1[C@@H](C2)c1[nH]c2c(c1CC3)cc(cc2)OC	3.9
CCS(=O)(=O)c1ncc2c(c1)cc([nH]2)CC(C(F)(F)F)(CC(c1ccccc1C(=O)N)(C)C)O	30
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
CCN(CC)CCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1	12.5892
COc1ccc(CCN2C(CN(NS(C)(=O)=O)C2=O)c2ccc(C)cc2)cc1	11.2
CC(C)Oc1cc([C@@](Cc2ccccc2)(NCC(O)C(O)(C(F)(F)F)C(F)(F)F)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F	12
C[C@]1(C(=O)O)CC[C@@](C)(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)C1	54
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc2ccccc12	3.7
CC(C)CC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1	10
CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2F)cc1)C(=O)O.O=C(O)C(F)(F)F	76
O=C(NC1CN(C1)C1CCC(CC1)(O)c1ccccc1)CNc1ncnc2c1cc(cc2)C(F)(F)F	16.9
CCC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1	2.8
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O	13
ONC(=O)/C=C/c1ccc(cc1)CN(CCc1c(C)[nH]c2c1cccc2)CCC(F)F	50
Fc1ccc(cc1)CCN1CCN(C(=O)C1)[C@H]1CCc2c(C1)ccc(c2)CN1[C@H](C)CCC[C@@H]1C	10
S(=O)(=O)(Nc1cc2c(OC3(CC2=O)CCN(CC3)[C@@H]2CCc3cc(ccc3C2)C#N)cc1)C.O=C(C[C@@H]1N(C)[C@@H](CCC1)C[C@@H](O)c1ccccc1)c1ccccc1	0.34
CCCCc1cc(OC2CCN(CCCS(=O)(=O)NC(C)(C)C)CC2)c2ncccc2c1.Cl.Cl	0.2818
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccnnc1	0
c1ccc(c(c1)C(=O)c2ccccc2F)F	72
O=C(c1ccc(cc1)F)c1ccc(cc1)F	72
Cl.FCCOc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1	2.2
OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)C#N	30
O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34	10
O=C(NC1CCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	2.5
Cn1cc(NC(=O)c2ccnc(-c3ccnc(NCC4CC4)c3)n2)c(C(N)=O)n1	1.9
OCCNC(=O)[C@H]1CC[C@@H](CC1)c1nc(c[nH]1)-c1cccc(c1)C(F)(F)F	0.5
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCN3CCCC3)cc2)cc1	100
CCc1oc(CCc2cc(cc(NC)n2)N2CCOCC2)nc1C	0.8
COc1cc(ccc1OCC(=O)N1CCCC1)n1cnc2c(c1=O)sc(c2)c1ccc(cc1)Cl	80
CCOC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1cnc(C)cn1	15.8489
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1	4.2
Fc1ccc(cc1)C(CCCCCN1CCC(CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1)c1ccc(F)cc1	0.1
O=S1(=O)CCC(CC1)C1NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)c1ccccc1	0.1
C[C@@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3ccc(F)cc3F)CC2=O)cc1.O=CO	1.5849
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ncccn1	10
CC(C)(C)c1ccc(cc1)N1CCN(CCN2Cc3ccccc3C2)C1=O	1
O=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2nccs2)c(F)c1	17.7
CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1	1000000
Cc1cc(=O)n2nc(ccc2n1)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F	33.2
FC(F)(F)c1cc(Cl)cc(COCC2(CCNCC2)c2ccccc2)n1	25
C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)CCO	12
Cc1cc(-n2cc3c(n2)CN(C(=O)c2cc(C#N)ccc2-c2cccc(F)c2)C3)ccn1	10
COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2c(C#N)c(N3CCC[C@H](N)C3)n(CC#CC)c2c1=O	1.3
O=C(N(C1CCC1)[C@H]1CCNC1)c1ccccc1Oc1ccccc1	2.95
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)c1cccc(c1)C(F)(F)F	30
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)NC(C)C	55
Fc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(NCc3ccncc3)n2)cc1	1.5
Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(CC2CC2)c1	3.2
CN(CCc1sc2c(c1C(c1cccnc1)C)cccc2)C	0.49
FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCOCC3)C(=O)c3ccccc23)cc1	33
OCCCC1(c2ccccc2)C(=NN2C1COc1c2cc(cc1)F)C(=O)C	18
CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)c1nnc(CN(C)C)o1	3.1
COc1c(cc(cc1C(C)(C)C)C(=O)NCC1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C	1.9
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O	81750.6
COc1ccc(cc1)c2ccc(N)[n+](CCCC(=O)O)n2	19.4984
CC(C)(C)NC(=O)C1N(Cc2cc(F)ccc2-c2ccccc2)C(=O)c2ccccc12	33
O=C(O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1)c1ccc(F)cc1)c1ccccc1	5.6
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1C(O)=O)c1ccc(cc1)-c1ccccc1	30
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)-c1cc[nH]n1)c1cc(=O)[nH]cn1	8.1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1	1.5
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)cc1	66
Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@@H]2CN1)C(=O)Cc1ccc(nc1)-n1cnnn1	22
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)C#N)CC2)cc1	0
C[C@@H]1CNc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN1	3.2
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1	9.5
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cc2ccccc2o1	0.8
CC(Oc1ccccc1[C@]1(O)C(=Nc2c1cc(Cl)cc2)N)C	19
CN1C[C@H](c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1	1
CCN1CCC[C@H]1CNC(=O)c2c(O)c(CC)cc(Cl)c2OC	2.8184
O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O	227
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC(O)=O)c(=O)o1	30.5
O(C)c1cc(ccc1OC)CCO[C@@H]1CCCC[C@@H]1N1C[C@H](O)CC1	21
Nc1ncc(cc1O[C@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1	1.7
O=C(N1CCc2c(C1)sc(n2)c1ccc(cc1)OC1CC(C1)N1CCCCC1)N1CCOCC1	3.7
Oc1ccc(cc1c1nc(N[C@@H]2CNC[C@H]2C(O)(C)C)c2c(n1)cccc2)c1n[nH]cc1	31
COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12	4.2
CC#CCn1c(N2CCCC(C2)N)c(c2c1c(=O)n(Cc1nc(C)c3c(n1)cccc3)c(=O)n2C)C#N	30
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc2nc[nH]c2c1	15
CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1	10
Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	30
COc1ccc2C([C@@H](C)c3cnccn3)=C(CCN(C)C)Cc2c1	3.4
O=C(NC1CN(C1)C1CCC(CC1)c1ccncc1N)CNc1ncnc2c1cc(cc2)C(F)(F)F	46
COc1cc(ccc1n1cnc(c1)C)c1nnn(c1)C1C[C@H](CCN(C1=O)Cc1ccccc1)[Si](C)(C)C	40.8
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3ccc4nc(oc4c3CC2)C(C)(F)F)n1C	2.5
CN(C)CCC1=C(Cc2cnccn2)c2ccc(F)cc2C1	0.59
CC1(C)CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1	0.23
COc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2c1	1.3
CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1C(C)C	12.9
Nc1cnccc1[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F	46
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1	5
Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1ccccc1F	1
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@H](CO)CC2)c2cc(ccc12)C(F)(F)F	32
CS(=O)(=O)CCN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1	10
CCCN(CC(COc1ccc(cc1)NS(=O)(=O)C)O)CCc1ccc(c(c1)Cl)Cl	0.13
NC1=NC2(c3cccc(F)c13)c1cc(ccc1OCC21CC1)-c1cncnc1	4.2
CCc1nn2ccccc2c1CCN(Cc1ccc(\C=C\C(=O)NO)cc1)C(C)C	7.5
CCCCc1cc(OC2CCN(CCS(=O)(=O)NC(C)(C)C)CC2)c2ncccc2c1	0.631
OCC1CCCCN1C(=O)c1cc2ccccn2c1-c1cccc(c1)C#N	24.5
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2F)C(F)(F)F)n1C	0.5
CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CN(C)C2	1.5849
ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1	50.3
CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc3ccc(Cl)cc3n2)c1=O	100
CC(COc1ccccc1Cc2ccccc2)N3CCCCC3	0.6607
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)N(C)Cc3ccc4OCC(=O)Nc4n3)c2n1	1.2
OC(=O)CC[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=CC2=CC(=O)CC[C@]12C	104.2
CN(C/C=C/c1ccc(C(F)(F)F)c(F)c1)Cc1ccc2c(c1)OCCC2.Cl	0.2
Cc1c(CCN2CCC3(CC2)CCN(c2ccc(=O)n(C)n2)C3=O)ccc2c1COC2=O	4.7
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CCc1c(F)cnc2c1nc(OCc1[nH]ccc(=O)c1O)cc2	5.3
CNC(=O)c1cc(ccc1OC(F)F)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C	24.2
CCCCc1cc(OC2CCN(CCNS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl	0.0759
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(C#N)ccc3nc2OC)c2ccnc(OC)c2OC)cc(OC(F)F)n1	7
ONC(=O)\C=C\c1ccc2CN(CCc3cnn4ccccc34)Cc2c1	5.2
O[C@H](CNC(=O)c1c[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	1.9953
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(CCN2CCOCC2)CC1)c1ncc([nH]1)C#N	10
O=C(c1cc[n+]([O-])cc1)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1	14.1254
CC(=O)NC(c1cccc(c1)F)CCN1C2CCC1CC(C2)n1c(C)nc2c1CCN(C2)C(=O)C(C)C	12
O=C(N[C@@H]1CN(C1)[C@@H]1CC[C@H](CC1)c1ccc2c(c1)OCO2)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	0.84
CCCCC[C@@H](Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(c1)C(F)(F)F	3.7
CN(C)c1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2c1	0
C[C@@H](c1nc(cs1)-c1ccc(cc1)C#N)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	10.37
COc1ccc(cc1)C12CC1CN(CCCSc1nnc(-c3cccc4nc(C)ccc34)n1C)C2	1.2333
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc2OCOc2c1	40
CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1	80
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)N1CCC1=O)c1cc(=O)[nH]cn1	27
CCC[C@@H](CCO)Nc1nc(N)nc2cccc(C)c12	5.5
N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1	30
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccncn1	31
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)nc2ccccn12	8
Cc1nccn1CC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1	26.6
Cl.CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O	30
CC(C)(C)C(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1	30
Cc1nc(C)c(-c2ccc3cc(CCN4CCCC4C)ccc3n2)cc1C(N)=O	40
C(CCN1CCN(CC1)c1ccnc2c1cccc2)CCCN1CCN(CC1)c1ccccc1	3.8
CCCCc1cc(OC2CCN(CCCCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1.Cl.Cl	0.302
FC(F)(F)c1cccc(Nc2cc3[nH]c(Nc4ccc(N5CCNCC5)cn4)nc3cn2)c1	30
CC1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O	6.3096
CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(C(=O)N2Cc3cn(-c4ccccc4F)nc3C2)c1	4.5
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O	13
CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1	30
COc1cc(OC)c2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0
Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cc1	25.1
O=C(c1ccc(-c2ccc(F)c(F)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1	4
CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1	5.2
O=S(=O)(c1ccc2c(c1)cccc2)NCCN1CCN(CC1)c1nsc2c1cccc2	20
CN(C1CCN(Cc2ccc(cc2)-c2noc(C)n2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1	6.5
Cn1ccc(n1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F	0.1
COc1cc2CC[C@@H](Oc2c(c1)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1	19
CCS(=O)(=O)N1CC(C(C1)C(=O)Nc1ccc(cn1)Cl)C(=O)Nc1ccc(cc1F)n1ccccc1=O	10
CC#CCn1c(N2CCC[C@@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12	21.7
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C1(CCC1)C(O)=O)c1cccc(F)c1	44.6684
OC(C(N1CCOCC1)c1ccccc1)(c1cccnc1)c1cccnc1	60
ONC(=O)C=Cc1ccc2c(c1)CN(C2)C(=O)C1CC1	30
CN[C@H]1CC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)CC1.Cl	39
CC(C)(NC(=O)c1nn(c(c1CO)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1noc(n1)C(F)(F)F	30
NC(=O)c1cnc2[nH]ccc2c1NC1CCN(CC1)c1ccc(nn1)C#N	100
COc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.CS(=O)(=O)O	84
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(C(C)C)CC1	11
NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F	5.9
OC1CCN(C1)C(=O)NC1CCN(CC1)Cc1ccn(c1)c1ccc(cc1)C(F)(F)F	31.6
[O-][n+]1cccc(c1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1	31.6
COc1ccc(cn1)C1CCC(CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	1
CC(C)c1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1	19
OC(=O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	60
CCCOc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2ccnc(OC)c2OC)cc(OC)n1	7.8
Clc1ccccc1[C@H]1C(C(OCC)=O)=C(NC(C)=C1C(OC)=O)COCC[NH3+]	2
CS(=O)(=O)Nc1cccc([C@H](c2ccc(F)cc2)C(c2cccnc2)c2cccnc2)n1	110
CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1	10
CC(Oc1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1)C(F)(F)F	33.3
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc2OCOc2c1	13.5
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1	100
COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O	47
Nc1nc2cccnc2n1CC(O)c1cccc(Cl)c1Cl	33.3
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(n2)C(C)(C)C)C1=O	80
Fc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1	7.8
CC1(C)C[C@@H](NC(=O)c2ccccc2N)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl	30
O=C(C1CCC1)NC(c1ccccc1)CC(N1CCC(CC1)c1onc(n1)C(C)C)C	1.65
CN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cn1	25.1189
CC(=O)N1CC2CN(CCc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1	10
CN1c2nc(-c3ccc(Cl)cc3Cl)c(cc2C(CC1(C)C)C(=O)NCO)-c1ccc(Cl)cc1	0
Clc1cc(Cl)ccc1CO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl	2.09
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2cccc(OC)c2OC)cc(OC)n1	2.2
O=C1CCc2c(N1)ccc(c2)[C@@H]([C@H](N1CC[C@](CC1)(O)c1cccc(c1)COc1ccccc1)C)O	1.5
COc1ccc(cc1)C(=O)Oc1ccc(cc1)S(=O)(=O)C1(CCC2(C1)CCNCC2)C(=O)NO	63.4
CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)NCCCCN=C(N)N	8.3176
CC(N1CCCC(C1)Cn1c(C)nc2c(c1=O)cc(nc2)Oc1ccc2c(c1)scn2)C	2.4
Brc1ccc(cc1)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C	0.4
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccsc1	4.8
CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1Cl)C#N	10.8
Clc1cc(ccc1Cl)[C@@H]1CC[C@H]([NH2+]C)c2c1cccc2	7.9
Nc1nc2cc3CCN(Cc4cscn4)CCc3cc2s1	15
Cc1c(C(=O)CC#N)oc2ccc(Br)cc12	0.03
Clc1cccc(COc2cc3cncnc3cc2NC(=O)Nc2cccc3ccccc23)c1	10
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cccnc2s1	100
COCC(C)Nc1nc(N2CCOC[C@@H]2C)c2ccc(nc2n1)-c1ccc(OC)c(CO)c1	17
CN(c1ccc(-c2ccc(C#N)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1	0.3
CS(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)S(C)(=O)=O	4
CC(c1noc(c1)CNCCN1CCC(CC1)c1ccccc1)C	1.08
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cnc2nccnc2n1	9.9
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(Cl)cn1	14
CC1SC(=N[C@@]2([C@H]1CC(OC2)c1cnn(c1)C)c1ccc(cc1F)F)N	4.9
CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=NC1c1ccc(F)cc1-c1ccccc1	4.96
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4F)nn3c(N)nc12	49.97
Cc1nccc(Nc2cc(NC3CCN(c4ccc(C#N)cn4)CC3)c(C(N)=O)cn2)n1	8.1
[S+2]([O-])([O-])(Nc1ccc(cc1)C(=O)C1CC[N+](CC1)CCc1[nH0]c(C)ccc1)C	0.012
O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1O	0.08
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(F)cc3C(F)(F)F)C2)n1C	1.2023
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCCN(C)CC1	5.9
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1	2.1
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1	10
N#Cc1ccc(cc1)Cn1cncc1CNC1CCN(C1)C(=O)c1ccc[nH]c1=S	11
Cc1c(CNC2CCCC2)nn(c1-c1cncc(C)c1)-c1ncccc1Cl	9
Clc1ccc(Cl)c(NC(=O)NS(=O)(=O)c2ccc(OCCN3CCCCC3)cc2)c1	100
CCOCn1c(nc2c1cccc2)C1CCCN(C1)C1CCOCC1	2.1
CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=N[C@@H]1c1ccc(F)cc1Br	4.88
CN1CCC(=C2c3ccccc3CCc4sccc24)CC1	20.4174
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1	21
O=C(Nc1cccc(c1F)F)Cn1ncc(c1)Nc1nncc2c1ccc(c2)OCCCN1CCCC1COP(=O)(O)O	100
FC(F)(F)c1csc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N	25.1
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(NCCCO)c(-c2cncnc2)c1	1.5
N#Cc1ccc(N2CCC(Nc3cc(Nc4ccccn4)ncc3C(N)=O)CC2)nc1	0.36
CN1CCN(CC1)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)OCCC(F)(F)F	12.6
O=C(Nc1c[nH]c2ncc(-c3ccccc3F)cc12)c1cnn2ccc(NC[C@H]3CCNC[C@@H]3F)nc12	5
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1)C(O)=O	46
ClCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1	2
COC(=O)C(CCCN1CC=C(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C	1.26
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCCN3CCCC3)cc2)cc1	49
Clc1ccc(cc1)C(c1ccccc1)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	1.6
Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N	33
Clc1ccc(cc1Cl)-n1cc(NCCN2CCOCC2)nn1	10
Cc1ccc(cc1Cl)C1CNCC=CC1	27
COc1ncc(cn1)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)OCCC(F)(F)F	12.6
N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1	30
CN(CCc1sc2c(c1C(c1ccc(cn1)F)C)cccc2)C	0.24
CN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)ccnc2	2.51
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnc(F)cc21	81
COc1c(cc(cc1C(C)(C)C)C(=O)NC[C@H]1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C	5
Clc1ccc(o1)CNCCOc1ccc2c(c1Cl)cccc2	10
COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1C	9.87
Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)CC2)CC1	0.05
CCCCOc1ccc(cc1)C(=O)NC1COc2c(C1)c(ccc2)N1CCN(CC1)C	6.3
Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1	6.9
OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC	213
COC1CN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccc(OC)cc3)cc2)C1	8.5
Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1	0.8
Fc1cc(OCC2CC2C2CCN(CC2)c2ncc(Cl)cn2)ccc1C(=O)NC1CC1	1.5
NC1COCC1Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	3.6
CCCn1c(-c2ccccn2)cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C.Cl.Cl.Cl.Cl	1
FC1(F)CCC(CC1)C(=O)N[C@@H](CCN1[C@H]2CC(n3c(nnc3C)C(C)C)C[C@@H]1CC2)c1ccccc1	42.6
C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1	10
CC(=O)Nc1ccc(cn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	40
[NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1cnccc21	89
Cc1cnc(cn1)N1CCC(CC1)C1CCN(CC1)c1cc(nc(C)n1)C#N	5.4
O[C@@]1(CC23CCC(CC2)(CO3)NCc2c(Cl)cc3OCCOc3c2Cl)Cn2c3c1c(F)cnc3ccc2=O	30.4
COc1ccc(cc1)C1CN(CC1CNC(=O)c1cccc(c1)Cl)CCC1CCOCC1	1.96
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN(C)C)cn1	30
COc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12	3.6
Cc1ccoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C	0.1995
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(OCCN2CCCC2)cc1	100
CC(C)(O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2F)c1	38
O[C@@H](COc1ccc(F)cc1)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1	0.87
Cn1c(CCCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccccc1Cl	0.13
CNC(=O)c1ccc(cc1)c1ccc2c(c1)CCN(C2=O)CCN1CCCC1C	17
Cc1cccc(c1)C(c1ccccc1)(c1ccccc1)CCC(C(=O)O)N	25
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N	0
CC(c1noc(c1)CNCCN1CCC(=CC1)c1ccc(c(c1)Cl)Cl)C	0.21
Cn1c(SCCCN2CC[C@@H]3[C@](CC2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccnnc1	5.01
N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1	10
CC(C)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1	12
CCOc1nc(cc(c1C#N)N)C(=O)NCc1ccc(cc1)S(=O)(=O)C	100
C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ccc(F)cc2F)CO1	15.8
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cc(ncn1)C(F)(F)F)c1ccc(cn1)-c1ncccn1	30
COc1cc(OC2CN(C2)C(C)=O)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12	33
CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC	5.3
COc1ccc2c(c1)ncnc2N1CCC(CC1)CCNS(=O)(=O)N	0.12
O=C(NC1CN(C1)C1CC[C@](CC1)(O)c1cccc(c1)N(C)C)CNC(=O)c1cccc(c1)C(F)(F)F	25
Fc1ccc(cc1)C[nH0]1c2ccccc2[nH0]c1NC1CC[N+](CC1)CCc1ccc(OC)cc1	0.0115
Clc1cccc(c1)C1CNCC=CC1	33
COc1cccc(c1)C12CC1CN(CCCSc1nnc(-c3ocnc3C)n1C)C2	3.9667
Cn1ccnc1C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N	30
c1cnc2c(N3CCN(CCCCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1	1.5849
Cc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	3.9
CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCNCC3)nc21	1.4
[NH+]1(C[C@H](CCC1)c1c2c([nH]c1-c1ccccc1)cccc2)C	9.6
Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O	100
COC(=O)CCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0.4
Cc1cc(ccc1OCCOCC[N+](C)(C)Cc2ccccc2)C(C)(C)CC(C)(C)C	0.2399
COCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1	7.3
N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1	8.6
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(=O)n(C)n2)CC3)ccc2c1COC2=O	45
N[C@H]1CN(c2ccncc2Nc2ncc3ccc(-c4ncccc4F)nn23)C[C@@H](N)[C@@H]1O	11.5
CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)CCO2.Cl	2.2
CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Cl)cc4F)nc3c2=O)C1	33.1
Cc1ccc(Nc2c(nc3n2CCN(C(=O)C(C)(C)N)C3(C)C)-c2ccc(F)cc2)cc1	30
CC(CN(C(=O)c1cc(Cl)cc(c1)Cl)C1CNCC1)C	10
COc1ccc(CC(C)(C)NCC(O)COc2ccccc2C#N)cc1	3.5
CCCCCCCCCCn1c(NC2CCN(CCc3ccc(OC)cc3)CC2)nc2ccccc21	2.069
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@]1(C)CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N	30
Oc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	63.7
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(F)cc4)C3C2)n1C	0.79
Cc1ncoc1c1nnc(n1C)SCCCN1CC[C@@H]2[C@](CC1)(C2)c1ccc(cc1)C(F)(F)F	1.58
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2ccc3OC(F)(F)Oc3c2)nn1	10
Cn1c(SCCCN2C[C@@H]3[C@](C2)(C3)c2cccc(c2F)C(F)(F)F)nnc1c1ocnc1C	1
CCN(CCO)C(=O)c1cc2cccnn2c1-c1cccc(C)c1	31.6
CC(C)(c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1)S(C)(=O)=O	33
COc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	12.9
COc1ccc(cc1)C1CN(CC1CC(=O)Nc1cccc(c1)Cl)CCCN1CCCC1=O	1.26
Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cccnc1	0.1259
COC1COCCC1N(CCCO)[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C)c1F	1.9
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNCC2)Oc2ccccc12	11.784
O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1	75.9
C[C@H]1OC(=O)[C@]2(CC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12	21.9
C[C@@H]1OCC2(CCN(c3nc(N)c(Sc4cccc(Cl)c4Cl)c(=O)n3C)CC2)[C@@H]1N	4
Cc1c([C@@H](O)CN2CCC3(CC2)CN(c2ccc(C#N)cn2)C3)ccc2c1COC2=O	10.5
CC1NCCN(C1)c1nc(Nc2ccncn2)c2c(n1)c(C)nn2CCOCC(F)(F)F	0.9
O=C(c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2)N1CCC(CC1)OCc1ccccc1	7.33
Nc1nc(NC2CCNCC2)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F	0.9
COc1ccc2COC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	42
O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1	4.1
Fc1cnc2c3c1C(O)(Cn3c(=O)cc2)CC12CCC(CC1)(CO2)NCc1ccc2c(n1)OCCO2	60
N[C@@H]1CCCN(C1)c1c(Br)cccc1C=C1SC(O)=NC1=O	30
COc1ccc(CN2CCC(CNC(=O)c3cc(CC(C)C)n(n3)-c3ccccc3)(CC2)C#N)cc1	3.2
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cccc(OC(F)(F)F)c2)C1=O	80
O=C(N[C@@H]1CN(C1)[C@@H]1CC[C@H](CC1)c1ccc2c(c1)OCO2)CNc1nn(c2c1cc(cc2)C(F)(F)F)C(=O)N	12
Cn1ccc(Cn2cc(-c3ccc(Cl)c(C(F)(F)F)c3)cn2)n1	3.47
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cc(ccn1)C(F)(F)F)c1ccc(cn1)-c1ncccn1	28
NC(=O)n1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccc3OCOc3c2)c2cc(ccc12)C(F)(F)F	12
Clc1cc(ccc1)CN1CC[C@@H]([NH+](Cc2n(cnc2)Cc2ccc(cc2)C#N)CC[NH+]2CCOCC2)C1=O	0.19
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=N)=O)cc2F)cn1)c1nc(no1)C(F)(F)F	30
CC(C)N(CCc1c(nn2ccccc12)-c1ccccc1)Cc1ccc(\C=C\C(=O)NO)cc1	8.16
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cn2cccn2)c2ccccc2)c1	4
Cc1cc(F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccccc2oc1=O	100
Cc1cc(-c2ccnc3[nH]nc(C(F)(F)F)c23)cc(C2(CN)CCC2)c1	0.7
Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)cc1	100
CCCCCCC[N+](CC)(CC)C/C=C/Cc1ccc(Cl)cc1.[I-]	0.0015
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCNc3n2)Cn2c3c1c(F)cnc3ccc2=O	60
Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1C1CCCOC1	10
COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12	1.8
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccccc2)n1C	1.5849
COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F	32
N[C@H]1CN(c2ccn3cnnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F	100
COc1cccc(c1)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O	0
COc1ccc(cc1)c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)CC(=O)N(C)C	33.3
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCN(C)CC2)cc1	15
Fc1ccc(cc1)Cn1c(nc2c1cccc2)C1CNCCO1	2.3
Cc1cccc(NC(=N)c2ccc(-c3ccc(Cl)cc3)o2)c1.Cl	2.1
CS(=O)(=O)c1ccc2n(Cc3ccccc3)c(nc2c1)C(F)(F)F	30
O=C1COc2c(N1)nc(c(c2)OCc1ccccc1)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	30.5
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1	10.4
CCCCCCCCCCCCCCCC[N+](C)(C)CC	10
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl	0.0776
Cl.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1	0.1202
CCCCCCCN(CC)CC#CCc1ccccc1	3.54
Cl.O=C(N1CCN(CC1)C1CC1)c1ccc(CN2CCOCC2)cc1	10
COc1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	10
Cc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCNCC1	0.1
Cc1[nH]c2ccccc2c1CC1CCCCN1Cc1ccc(\C=C\C(=O)NO)cc1	9.1
COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2n1	4
NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cc(Cl)cnc1F	10
COc1cnc(OC)c([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cc(OC)nc(OC)c2)c1	2.2
NC[C@]1(c2cccc(Cl)c2)CC[C@H](n2nc(-c3cccnc3)ccc2=O)CC1	4.4
COc1ccc2c(OC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1	20.5
CCOC(=O)c1ccnc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1	1.4
COc1cc(C=Cc2nc3ccccc3c(=O)n2c2ccccc2)ccc1n1cnc(c1)C	1
O[C@H]1CCN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	31.6
CN1CCN(CC1)c1cccc2c1CC(CO2)NC(=O)c1nn(nc1C)c1ccccc1	7.9
Cn1cnc(-c2cnc(N)c(O[C@H]3CN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C[C@@H]3F)c2)c1	16
Cc1nsc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(O[C@@H](C)CO)c2)n1	11
OCCN1CCN(CCC(=O)N2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1	14.4544
OC12CC3CC(C1)CC(C3)(C2)NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	31.6
N#Cc1ccc(cc1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.063
CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(F)c5cccnc45)nc3c2=O)C1	33.1
Fc1cn(C[C@H]2CN(C(=O)O2)c2ccc(N3CCC(CC3)=CC#N)c(F)c2)nn1	2.37
OC(=O)C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)c1ccccc1	5
Clc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	12.5892
Cc1ccc(S(=O)(=O)N/N=C/c2cn(CC(=O)Nc3ccccc3Cl)c3ccccc23)cc1	18.66
O=C(c1ccc(cc1)NS(=O)(=O)C)C1CCN(CC1)CCc1ccccc1	0.046
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C#N	53
COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(C(=O)c2cccc[n+]2[O-])CC3)c1	15.1356
CC(C)c1ccc(-c2cc(CN3CC[Si](C)(C)CC3)nn2-c2ccc(F)cc2)cc1	2
C[C@H](C(=O)c1c[nH]c2c1cccc2)OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2c(c1)OCO2	30
COc1ccc2c(C)nc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1	33
CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1	20.7
CC6OC(OC4CC(O)C3(CO)C2C(O)CC1(C)C(CCC1(O)C2CCC3(O)C4)C5=CC(=O)OC5)C(O)C(O)C6O	15.1356
COc1ccc(cc1)C1CN(CC1CCNC(=O)c1cccc(c1)Cl)CCc1ccc(c(c1)OC)OC	0.056
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn2CCSc2n1	40
COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1	4.9
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1	7.9
COc1ccc2nccc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3cc4OCCOc4cn3)c2n1	29
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2C(c1ccccc1)(C)C	1.6
FC(F)(F)c1c2nc(cc(c2ccc1)[C@H](O)[C@@H]1[NH2+]CCCC1)C(F)(F)F	2.56
CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F	3.2
CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccc(C)s1	0
CN1C2CCCC1CC(C2)NC(=O)c1cccc2c1nc(o2)N1C(C)CNCC1C	6.4
CS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)nc1	19
NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1	93
COc1nccc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)n1	8.2
NC1=N[C@@]2([C@H](CS1)C[C@H](OC2)c1onc(c1)C)c1ccc(cc1F)F	1.6
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2C1(CC1)c1ccccc1	1.9
C(CN1CCCCC1)Oc1ccc(Oc2nc3ccccc3o2)cc1	1
O=C1CCc2ccc(OCCCCN3CCCN(c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc2N1	19.7
Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1	5
Cc1nn(C2CCN(C(=O)CO)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1	22
Fc1ccc(cc1)[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)C)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cncc2	4.33
N#CNC(=Nc1ccc2c(c1)cc(o2)C)NC1CCCCN(C1=O)CC(=O)N1CCCC1	80
CN(CCOc1ccc(C)cc1)CCc1ccc(C)cc1	0
CCOC(c1cnc2n1C[C@@H](CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1c2cccn1)c1cccc(c1F)F)(C)C	7.36
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	0.049
O=C1S/C(=C\c2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1c1ccc(OCCCCN2CCN(CC3CC3)CC2)cc1	3.4
COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1	22.9087
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O	288.7999
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(OCCN2CCOCC2)cc1	30
O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1	14
CCCCCCCN(CC)CC#CCOc1ccc(Cl)cc1	0.058
OC[C@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O	25
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2C#N)S(C)(=O)=O)cn1)c1nnc(o1)C(F)(F)F	6.4
CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C	2.7542
CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1-c1ccccc1	1.4
CCc1[nH]ncc1Cn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1	35
Fc1ccccc1COc1ccn(-c2ccc(OCCN3CCCC3)cc2)c(=O)c1	0
COc1cc(\C=C\c2nc3ccccc3c(=O)n2C)ccc1-n1cnc(C)c1	0.3
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2cccnc2)C(C)(C)C1	9.6
CN(Cc1nnc(o1)-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1	33
COc1cccc(c1)N1CCN(CCN2CCN(CC2)C(C)C)C1=O	63.0957
CCc1c(C2CCN(CC2)CCCSc2ccc(cc2)F)c2c(n1c1ccc(cc1)C(=O)O)cc(cc2)F	2.7
OC(CCN1CCCCC1)(C2C[C@H]3C[C@@H]2C=C3)c4ccccc4	10.7152
COc1ccc2nccc(CC[C@H]3CC[C@H](NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1	0.41
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	0.3715
CN(C)c1ccc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cn1	10
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2CCCCc12	4.1
CNC(C)c1ccccc1Oc1ccc(Cl)c(Cl)c1	3.85
CCCCNC[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1\C2=C/c1ccc(Cl)cc1	5.4954
CCCCc1cc(OC2CCN(CCCS(=O)(=O)CCC)CC2)c2ncccc2c1.Cl.Cl	0.0288
CCCCCCC(n1cnc2c1ncnc2N)C(O)C	80
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ccnc2ccc(cc12)C(F)(F)F)c1cncs1	11.2
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1	30
C(c1ccccc1)c1ncc2CCNCCc2n1	22
CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CCCC3(O)CCCCC3)C[C@H]21	0.71
O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(-c2cccnc2)nn1	48
OCc1ccc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccccn3)C(O)=O)CC2)cc1Cl	33113.1
O=C(c1cccc(c1)C(=O)O)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	50
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2ccccc2C(F)(F)F)CC1	4.98
Cc1ccc(-c2cc3c(N[C@@H]4CC[C@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)cn1	8
COc1ccc(cc1)[C@H]1CN(CCC2CCOCC2)C[C@@H]1CC(=O)Nc1cccc(Cl)c1	0.1
O=C(C1CC1c1ccc(cc1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)c1ncon1	1.2
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1	126
COC(=O)C(CCC(=O)N(C)CCCc1nc2ccccc2[nH]1)(c1ccc(Br)cc1)C(C)C	12.5
CS(=O)c1cccc(c1)-c1ccc2ncc(-c3ccc(cc3)S(C)(=O)=O)n2n1	4
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)S(N)(=O)=O)c1ccccc1	63.0957
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(cn1)C(C)C	7
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1	8.1
FC1CCC(C1)NCc1nn(c(c1C)c1cnc(c(c1)F)C)c1ncccc1Cl	41
CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1	10
Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3ccc(F)cc23)c1Cl	100
CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)C1=CN2N=CNC2C=C1	86
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12)C(N)=O	60
Cc1cc2Sc3ccccc3c3c2c(c1)c1ccccc1[n+]3C	1
C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO	12
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC1CCOCC1	12.7895
CCOc1cc(CN2CCC3(CC2)CCN(S(=O)(=O)c2cccnc2)CC3)cc(OCC)c1-c1ccc(F)cc1	0.21
COc1ccccc1CCN1CCC(CCc2cccc(OCCF)c2)CC1.Cl	0.8
O=C(c1ccc(c(c1)Cl)Cl)C1CCN(CC1)CCc1ccccc1	0.055
CCCC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1)c1ccc(F)cc1	15
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@H]1CNCCO1)c1ncc(s1)C	56
Nc1nc2cc3CCN(Cc4cccc(F)c4)CCc3cc2s1	6.8
CC(C)(C)NC(=O)C1N(Cc2ccc(F)cc2-c2ccc(F)cc2)C(=O)c2ccccc12	33
CC(C)c1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O	5
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1	85
O=C(O)CCc1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1	15.8489
CN(CCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1	33
NC1=NC2(CO1)c1cc(ccc1OC(C1CC1)C21COC1)-c1cncnc1	10
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(c2ncc[nH]2)c2ccccc2)c1	12.7
Cn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)c2)c(C(N)=O)n1	6.1
COc1ccc2nccc(NC(=O)[C@@]3(O)CC[C@@H](CC3)NCc3ccc4OCCOc4c3)c2n1	25
O([C@@H](C(C[C@H]([NH+](C)C)C)(c1ccccc1)c1ccccc1)CC)C(=O)C	2.18
CCOC(=O)c1cncc(c1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1	2.5
COc1ccc2c(n1)c(ccn2)C[C@@H]([C@@H]1CC[C@H](CO1)NCc1nnc2c(c1)OCCO2)O	100
COCC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1	1.2
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(C2CCCCC2)c2ccccc2)nn1	0.8
O[C@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@@H]1c1ccc(F)cc1Cl	13
Cn1c(SCCCN2CC3CCN(c4ccccc4F)C3C2)nnc1-c1cnccn1	1
CO[C@@H]1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3nc(N)n[nH]3)CC2)C1	15.8
N#Cc1ccc2c(c1)[nH]c(n2)Cc1ccc(cc1)Oc1ccccc1	1.1
CS(=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12	17
Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2n[nH]c3ccc(F)cc23)c1Cl	33
Cc1cccc(C)c1[C@@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	7.6
Clc1ccccc1c1nc(nc2c1CNC(=O)N2c1c(Cl)cccc1Cl)S(=O)(=O)C	9
Cc1ccc(Cc2cccc(COc3ccc(C)cc3)[n+]2C)cc1	0
CCOC(=O)Nc1ccccc1[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC	8.7
Cc1cnc(NC(=O)[C@H](COC2CCC2)Oc2ncnc3c2cnn3-c2ccccc2Cl)cn1	12.5892
CC(C)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1	1.6
CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1	1.7
CCOC(=O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	8.5
CCCCCCCN1CCC(C(=O)c2ccccc2)CC1	0.124
CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccc(CO)nc3)cc12	3.1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NCCO)n1	32
Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4)C3C2)nnc1-c1cc[nH]c(=O)c1	5.01
Cc1ccc(cc1)C12CC1CNC2	44.6684
Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F	10
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1ccc(F)nc1	12.6
O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1	30
COc1nc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc(C)c1	0.53
CO[C@H](C[C@H](CCCCNCc1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1	2
CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)CC#N)CC12CC2	120
CC(C)CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F	0.45
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)C1CC1	100
CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1	2.1
CC(N1CCC(CC1)n1c(C)nnc1C)CC(c1ccccc1)NC(=O)C1CCC1	0.849
CC(C)Cc1cc(C(=O)NCC2C3CN(CCC(C)(C)C)CC23)nn1-c1ccccc1	3.13
CC(N1CCN(CC1)C(=O)c1ccc(cc1)OC1CC(C1)N1CCCCC1)C	30
Cc1sc(-c2ccccc2Cl)cc1C(=O)N[C@@H](CN)c1ccccc1	6.7
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C)CC1	3.35
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1cccnc1	33.3
Cn1c(SCCCN2CC3CCN(c4c(F)cccc4F)C3C2)nnc1-c1cnccn1	2.51
c1c(Cl)c(N)cc(OC)c1C(=O)N[C@@H]2[C@H](OC)C[N@@H+](CC2)CCCOc3ccc(F)cc3	0.0447
OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1ccc(F)cc1	1.8
N#Cc1cccc2c1ncn2c1ccc(s1)C(=O)NC1CC1	53
O=C(NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2)C=Cc1ccc(cc1Cl)Cl	1.5
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1	13
CCC(C)C(C)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	0.883
CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC	28.1838
FC1CCN(C1)C(=O)C(C(C(=O)N(C)C)c1ccc(cc1)N(C(=O)c1ccc(cc1)F)C)N	90
C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1cnccn1	0.3
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1nncc(n1)C(F)(F)F	8.9
O=C1O[C@@]2(CN1c1ccccn1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N	12.5892
C1CCC2(C1)[C@H]1CN(CC3CC3)C[C@@H]2CN(CC2CC2)C1	2.5
CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc([S+](C)[O-])n2C)ccn1	213
NC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	9.2
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCCN(CC1)C(C)=O	11
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2CC1CC1	7.3
COc1nc2ccc(CN)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12	1.7
O=C1CCCN1C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1	10
CCOCC1(COCC)NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)c1ccccc1	0.18
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1	100
Fc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCCO2	12.2
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2cncc(C#N)c2)C3)ccc2c1COC2=O	2.4
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1cc(Cl)c(Cl)cc1C(O)=O	954992.586
COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1Cl	0
O=C(CCN1CCC(C1)c2ccccc2)c3ccc4OCCOc4c3	2.9512
N#Cc1cnc(s1)Nc1ncnc(c1)N1CCC(C1)N	3.9
FC(F)(F)c1cccc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)c1	0.483
COc1nc(ccc1-n1cnc(C)c1)-c1nc(Nc2cc(ccc2F)C(F)(F)F)n(C)n1	10
COCc1ccc(-c2cc3c(N[C@@H](C)C4CCOCC4)c(C(N)=O)cnc3cc2F)cn1	8.9
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccnc1	0
Fc1ccc(c(c1)/C=C(/NC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O)\F)F	0.016
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1	7.1
COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2n1	22
NC(=O)C1CCCN1Cc1cn(c2c1cc(nc2)C(=O)N(O)C)Cc1ccc(cc1)F	8.6
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)C(O)C(N)=O	60
CN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1	4.1
OC1CCN(C1)S(=O)(=O)c1ccc(cc1)c1ccc(cc1)CCN1CCCC1C	7
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccccc2)c(C)n1	7.7
COc1cc(\C=C2/CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1	1.2
CN(C)c1ccc(-c2cc3nccnc3c(NCCCCO)n2)cn1	31.6228
CN(CCCC1(c2ccccc2)C(=NN2C1COc1c2cc(cc1)F)C(=O)C)C	5.9
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1cccn1C	0.2
Cc1ncc(nc1)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)OCC(F)(F)F	31.6
CNCCCN1CCCc2c1ccc(c2)NC(=N)c1cccs1	30
O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCOCC1	63.1
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccncc3)C(=O)c3ccccc23)cc1	5.1
Cc1cnc(cn1)-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C	1.2589
C(CNCCC(c1ccccc1)c1ccccc1)Cc1ccccc1	0
CCOc1ccc2cc(-c3nn(CC4CCN(C)CC4)c4ncnc(N)c34)ccc2n1	10
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C4CC(c5cc(F)ccc5F)C4)C[C@@H]3C(=O)O)c2c1	85.9
FCC1SC(=N[C@@]2([C@H]1CC(OC2)c1onc(c1)C)c1ccc(cc1F)F)N	10.1
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NC(=O)c3ccc4OCC(=O)Nc4n3)c2n1	30
COc1c(ccc2c1COC2=O)[C@@H](CN1CCN(CC1)C(=O)Cc1ccc(nc1)n1cnnn1)O	19
CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1	1.6
O=C1COc2ccc(CNC3CCN(CCn4c5cc(OCc6ccccn6)cnc5ccc4=O)CC3)nc2N1	100
O=P(N(c1cccnc1)c1cccnc1)(c1ccccc1)c1ccccc1	33
Cc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O	38
CC(C#N)=C1CCN(CC1)c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O	213.3
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)CC1CCCC1	0.46
C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1	19.9526
NC(C(=O)O)CSC(c1ccc(c(c1)C)C)(c1ccccc1)c1ccccc1	25
Clc1cccc(c1N1C(=O)NCc2c1nc(NCC(C)(C)C)nc2c1ccccc1Cl)Cl	10
CN(C)CC\C=C\1/c2ccccc2CSc3ccccc13	15.1356
[O-][N+](=O)c1cn2C[C@@H](COc2n1)OC(=O)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1	30
CC1CS(=O)(=O)CCN1N=Cc2oc(cc2)[N+](=O)[O-]	25.704
Clc1ccc(cc1)c1cc2[C@@H](NC(=O)c3ccc4c(c3)[nH]nc4)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	0.63
O=C(c1ccc2c(c1)scn2)N1C[C@H]([C@H](C1)N)C(=O)N1CCCC1	300
COc1cnc2ccc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(n3)C#N)c2c1	69
C1CC(CCS1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	0.1
O(C(=O)C)[C@H]1[C@H]2[C@@H](O)[C@@H]3[C@@]4(CC2=C)C[C@@H]2N5[C@@H]([C@@]36[C@H]2[C@@](C[C@H](OC(=O)C)C6)(C5)C)[C@@]14O	465.95
Fc1cnc(CCN2C(C(=O)NCc3cccc(OC(F)(F)F)c3)c3ccccc3C2=O)nc1	24
C1CN2CCC1C(C2)c1nc(no1)-c1ccc(o1)-c1cccnc1	6.4
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3nc4ccc(cn4c3CC2)C(F)(F)F)n1C	5
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O	383.3
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc2nc[nH]c2c1	2.5
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1ccc2occc2c1	0.4
Cl.COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1	31
CC(C)(C)C1(O)CCN2CC3c4ccccc4CCc5cccc(C2C1)c35	0.5248
N#Cc1cc(C(C)C)c2c(c1)nc(o2)c1ccc(cc1)C(=O)NCC1CCC(CC1)c1ccc(cc1)C(C)(C)C	30
ONC(=O)C=Cc1ccc2c(c1)CN(C2)C(=O)C1CCCCC1	30
COc1cc2c(cc1OC)nc(nc2N1CCC(CC1)CNS(=O)(=O)N)/C=C/c1cccnc1	3.3
Fc1ccc(cc1)[C@]1(OCc2cc(ccc12)C#N)CCC[NH+](C)C	3.98
Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1	1.3
CC(c1ccc(cc1)OS(=O)(=O)C(F)(F)F)C(=O)NCCN1CCCC1	10
COc1cc(OC2CNC2)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12	5.9
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(=O)[nH]1	10
C[C@H](O)CONC(=O)c1ncc2cncn2c1Nc1ccc(I)cc1F	3.3
CNCc1ccc(Cl)cc1Oc1ccc(F)c(c1)C(F)(F)F	0.873
C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(Cl)c1Cl	10
OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1	50.1
OC1(c2ccc(F)cc2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1	18.197
C[S+]([O-])c1ccc(-c2cnc3ccc(Nc4cccc(S(C)(=O)=O)c4)nn23)cc1	2.36
COc1ccc(CCNCCCNC(=O)c2ccc(cc2)[N+]([O-])=O)cc1OC	0.4
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cn1	30
COc1ccc(cc1OC)CCNCCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N	3.8
CC(=O)c1cccc(CNc2cc(C(F)(F)F)cc3ncc(N4CCN(C)CC4)cc23)c1	93.6
CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N3CCCC3=O)C#N	23.9883
C[C@@H](N1CC(C1)c1ncccn1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1	53.5
Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1	35.5
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(=O)n(C4CCCC4)n2)C3=O)ccc2c1COC2=O	13.5
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(cc1)C(F)(F)F	1
OC(c1ccc(cc1)F)c1ccc(cc1)F	99
Cn1cc(NC(=O)c2cncc(-c3ccnc(NCC4CC4)c3)c2)c(C(N)=O)n1	5.2
OC[C@H](CN1CCc2c(C1)sc(n2)c1ccc(cc1)OC1CC(C1)N1CCCCC1)O	30
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1	100
Fc1ccc(cc1)C1(N2CCC3(CC2)[C@@H](CNC3=O)c2ccc(F)cc2)CCCCC1	1.3
CC1(c2cccc(-c3cncnc3)c2)N=C(N)c2c(F)cccc2O1	9
NC1=NC2(CO1)c1cc(ccc1OC(CCC(F)(F)F)C21CCC1)-c1cncnc1	10
c1ccc(cc1)c1c[nH]c(n1)C1NC(C2CCOC2)c2c(C1)c1ccccc1[nH]2	0.025
CC1CN(CCN1C(=O)C(=O)c1c[nH]c2c1nccc2)C(=O)c1ccccc1	80
Fc1cc(ccc1C(=O)N1CCCC1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	8.8
C[C@@H]1CC[C@H](N)CN1c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12	19.7
CC#Cc1cncc(c1)-c1ccc2OC(CC3CC3)C3(COC3)C3(COC(N)=N3)c2c1	5.2
COC1COCCC1N[C@@H]1C[C@H]2C[C@H](Cl)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1	30
CC(OC(=O)c1ccc(cc1)NC(=O)NC(C(=O)NC1CCC[N+](C1)(C)Cc1cccc(c1)O)Cc1ccc(cc1)O)C	2.51
OC1CN(CCC1c1ccc(cc1Cl)F)C[C@@H]1CCc2c([C@H](C1)O)nccc2	13
COc1nc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1	8.5
Clc1cc(ccc1)CN1CC[C@@H]([NH2+]Cc2n(cnc2)Cc2ccc(cc2)C#N)C1=O	0.44
C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC#N	16
CCC1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2O1	1.6
NCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	7.9
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	14
Fc1ccc(c(c1)COC1CCc2c1nc(cc2)N1CCNCC1C)C	3.9
OCC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1	9.9
CCOC(=O)C[C@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1	1.753
Cc1cc(ccc1Cl)C1CNCC=CC1	26
OC(=O)C1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1	60
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1	25.1
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc(C#N)c4)c3c2)CC1	0.174
O=C(c1ccc(cc1)CN(c1nc2c(n1C)ccc(c2)C(F)(F)F)C1CCC(CC1)C(C)(C)C)Nc1nnn[nH]1	10
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccnnc2)C3=O)ccc2c1COC2=O	27
COc1cc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1C#N	0
CC(C(O)c1ccc2NC(=O)OCc2c1)N1CCC(O)(CC1)c1ccc(F)cc1	2.4
COc1c(cc(cc1C(C)(C)C)C(=O)NCC1CCN(CCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1)C(C)(C)C	0.1
O=C1COc2ccc(CNC3CCN(CCn4c5cc(OCc6cccnn6)cnc5ccc4=O)CC3)nc2N1	100
OC[C@@H]1OC(=O)N(C1)c1ccc(cn1)c1ccc2c(c1)OC[C@H]1N2C(=O)O[C@H]1CO	40
CCNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12	11.989
O=C(c1cccc(c1Cl)Cl)N(c1ccccc1)C1CCNC1	7.9
CNC(=O)c1cnc(Nc2ccc(C)nn2)cc1Nc1ccccc1S(C)(=O)=O	43
COc1cc(Nc2nc(C)cc(N(C)C)n2)ccc1F	5.0119
Fc1ccc(-c2nc(N3CCCC3)sc2-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)cc1	5.6
Fc1cc2[nH]c(C(OC)=O)c(c2cc1)[C@@H]1C[NH2+]CC[C@H]1F	8.2
CS(=O)(=O)Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)cc1	0
CCN(CC)CCSCC(=O)OC1CC(C)(C=C)C(O)C(C)C23CCC(C)C1(C)C2C(=O)CC3	1.2882
C(C1CN2CCC1CC2)N3c4ccccc4Sc5ccccc35	4.1687
NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F	4.8
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13	0.1
CC(=O)NC(=NN=Cc1c(Cl)cccc1Cl)N	8.9125
CCOc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2cccc3c2OCCO3)cc(OCC)n1	13.3
COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)[C@]3(COC(N)=N3)c2c1	10
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCC(C)(O)C2)cc1	26
FC(F)(F)Oc1ccc(Oc2ccc(N3CCC4(CC3)OCCc3sccc34)cc2)cc1	10
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(N)o1	35.4
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)S[C@]1(C)CCC(CC1)c1ocnn1	3.4
O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13	8.1
Cc1n[nH]c2c1CN(C1=NC(NCc3c(F)cccc3C(F)(F)F)c3cccc(C(N)=O)c3N1)C2	12.5892
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC(N)Cc2cc(F)ccc2F)cc1)C(=O)O.O=C(O)C(F)(F)F	76
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2nc3c(F)ccc(C)c3c(=O)[nH]2)c(Cl)c1	60
CNCc1cc(-c2cn(C)nc2-c2ccc(F)cc2)ccn1	38.2
Cn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CC4)c3)n2)c(C(=O)N2CC(CN)C2)n1	40
O=C(Nc1ccc(F)cn1)[C@H](CN1CC(O)C1)Oc1ncnc2c1cnn2-c1ccccc1Cl	39.8107
C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O	50
O=C(NC1CCN(C1)CCC1CCN(CC1)C(=O)c1ccccc1Cl)CNC(=O)c1cccc(c1)C(F)(F)F	10
CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C	4
Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1ccccc1	3.7
CCCCOc1ccc(cc1)C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1	6.3
COc1cc(Nc2cnc(C#N)c(O[C@@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1	16
Cc1nc(oc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1	20
O=C(c1cccc2c1nc(o2)C1CC1)NC1CN2CCC1CC2	0.7
O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O	6.6
CC[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1	70
CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C	10
Clc1cnc(nc1)N1CCC(CC1)C1CC1CCOc1ccc(cn1)S(=O)(=O)C	19
Cc1[nH]nc2c1c(=O)n(CCCN)c1cc(C3CCCCC3)c(cc21)C1CCCCC1	5.3
ONC(=O)/C=C/c1ccc(cc1)CN(CC(F)(F)F)CCc1c[nH]c2c1cccc2	50
CCOC(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C(=O)N	20
CN1CCC(CC1)NC(=O)c1ccc(cc1F)Nc1ncc(c(n1)c1cnc(n1C(C)C)C)F	32
CC1CCC(N1CCCNc1nnc(o1)c1ccc(cc1)NC(=O)c1ccccc1F)C	7.9
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(F)cc2)nn1	2.19
OC(CCN1C(CCCCCCC(=O)O)C(=O)NC1=O)C2CCCCC2	20.4174
CC(=O)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2	1.5
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cncc(c1)C(O)=O	12
CC[C@H]1[C@@H]2C[C@@H]3N([C@@H]1O)[C@@H]1C2[C@@H](O)[C@]2([C@H]3N(C)c3c2cccc3)C1	1.04
COc1ccc(cc1)[C@H](N[C@@H]1CC[C@H](C(C1)(C)C)C(=O)N1CCC(CC1)(c1ccccc1)c1nnc(s1)C)C	10
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(F)c2)ncc1F	6
C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)NCc1ccc(cc1)C(O)=O	50
Cc1cc(-n2cnnn2)ncc1CC(=O)N1CCN(CCc2ccc3c(c2C)COC3=O)CC1	9.1
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(F)cc1	10
COC1COCCC1N(C1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1nncc(c1)C(F)(F)F)C	53
CNC(=O)[C@@H]1C[C@H](N2CCc3c(cccc3OCCC3CC3)C2)CN1C(=O)c1ccc(CN)c(OC)c1	11
Clc1cnc(nc1)N1CCC(CC1)C1CC1CCOc1ccc(cc1)n1ccnn1	19
CC(C)(C)c1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(c1)C(C)(C)C	0.1
COc1cc2nnc(c(c2cc1N1CCN(CC1)C)Nc1cc(C)ccc1F)C(=O)N	18
CCc1cc(ccc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1	25
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2	0.2754
Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1ccccn1	0.1585
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1cnccn1	7.2
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCN(C(C)C)CC2)cc1	5.7
CCN(CC)C(=O)c1ccc(cc1)C(N2CC(C)N(CC=C)CC2C)c3cccc(OC)c3	1.6218
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3CCC(C)C)CC2)cc1	0.2117
Cc1cccc(Nc2nc(N[C@@H]3COC[C@@H]3N)ncc2C(N)=O)c1	3.9811
Fc1ccc(cc1)CCN1CC(=O)N(CC1)[C@H]1CCc2cc(ccc2C1)CN1CCCCC1	11
CNC(=O)c1ccc(c(F)c1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	3.7
Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1	1.742
[O-][N+](=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	24.3
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F	1.7
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccncc2)C3=O)ccc2c1COC2=O	19.5
N#Cc1cncc(c1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1	6.6667
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)N1CC(C1)C(N)=O	3
COc1cccc2c1OC(c1ccc(cc1)OCCCN1CCCC1C)C(S2(=O)=O)C	2.9
CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)N(CC)c2ncccc32)CC1	2.89
ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1	30
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncnc1	10
O=C(N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1)c1nnc(o1)-c1ccccc1	16
C(c1ccccn1)C1(CCNC1)c1ccc2[nH]ccc2c1	30
COc1ccccc1N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1	47.6
O=C(c1cccc(c1Cl)Cl)N(C1CNCC1)CCC1CC1	7.1
COc1cc(F)cc2c1nnc1c2c(-c2ccncc2C)nn1C	17.3
C[C@@H](c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1.O=C(O)C(F)(F)F	59
Fc1ccc(cc1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1	7.5667
OC(=O)[C@@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	45
Clc1ccc(cc1)C(=O)C1CCN(CC1)CCc1ccccc1	0.075
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(F)c(c2)C(F)(F)F)n1C	1.6667
O=C1COc2ccc(CNC3CCN(CCn4c5cc(O[C@@H]6CCOC6)cnc5ccc4=O)CC3)nc2N1	100
CCN1C[C@H]2C[C@]2(C1)c1ccc(NS(=O)(=O)c2ccc(cc2)C(C)C)cc1	1.2589
NC(=O)CN1CCc2c(C1)sc(n2)c1ccc(cc1)OC1CC(C1)N1CCCCC1	30
Cc1cc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccc(F)cc3)C(O)=O)CC2)ccc1Cl	100
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21	30
CC(C)NC(=O)c1cn(-c2cccc(c2)-c2cccc(c2)C(C)=O)c2ncccc2c1=O	6.96
CN([C@H]1CCCC[C@H]1N2CCCC2)C(=O)Cc3ccc(Cl)c(Cl)c3	6.3096
Cc1nc(C)c(s1)-c1nnc(SCCCN2CCC3(CCc4ccc(Cl)cc34)C2)n1C	2.5
Clc1cccc(c1)N1CCN(C1=O)CCN1CC2(CC1CC(C2)(C)C)C	1.26
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc(cn2)C#N)CC1	20
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cc2Cl)Cn2c3c1c(F)cnc3ccc2=O	60
CCc1oc(CCc2cc(cc(NCCC#N)n2)N2CCOCC2)nc1C	1.6
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(S(C)(=O)=O)nc2)C3)ccc2c1COC2=O	29.6
Cc1c(CN([C@H]2CCNC2)C2CCOCC2)cccc1C(F)(F)F	2.9
O=c1cnc2ccc(F)c3c2n1C[C@@]3(O)CN1CCC(NCc2cc3c(cn2)OCCO3)CC1	206
CSc1ccc(Oc2ccccc2CN(C)C)cc1	3
Cc1ncc(s1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.79
CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(O)=O	100
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(C2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC	33.1
COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F	16
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2ccccc12	7.6
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)C#N	59
CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1	0.98
Fc1cnc2ccc(nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)C#N	0
CNCc1ccc(Cl)cc1Oc1cccc(Cl)c1	2.1
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1	5
CCC(c1cnc2n1C[C@@H](CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1c2cccn1)c1cccc(c1F)F)(OC)CC	0.8
S1[C@H](NC=C1[C@@H](c1cc(OC(C)(C)C)c(OC(F)F)cc1)c1cc[n+]([O-])cc1)C(O)(C)C	58.4
Clc1ccc(cc1)C1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1	0
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1	8.3
OC1(Cc2ccccc2)CCN(CC1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	7.9
OC(=O)c1cccc(CN2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)c1	19.9526
Fc1cc(OCC2CC2CC2CCN(CC2)c2ncc(Cl)cn2)ccc1C(=O)NC1CC1	1.2
CCOc1cc(C(O)(CCN(C)C)C(c2cc3cc(Br)ccc3nc2OC)c2ccnc(OC)c2OC)cc(OC(C)C)n1	7.8
O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CN1CCC(NCc2cc3c(cn2)OCCO3)CC1	310
CC1(C)Oc2c(cccc2CN2CCC3(CC2)CCN(CC3)C(=O)c2ccc(N)cn2)C1(F)F	30.9
C=CC(=O)N[C@H]1CCN(c2ccc(C(N)=O)c(Nc3ccc(N4CCCCC4)cc3)n2)C1	3.3
COc1cc(ccc1n1cnc(c1)C)c1nnn(c1)C1C[C@H](CCN(C1=O)CC(F)(F)F)c1ccccc1	2.22
CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1	9
CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O	0
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN2CCOCC2)cc1	5.7
CCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCC)CCC	6.3
CC1CCCN1CCCOc1ccc(cc1)c1ccc(=O)n(n1)c1ncccn1	10
Cc1ncc(nc1)c1nnc(n1C)CCCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	2.51
COc1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC	0.4
COc1ccc(cc1)C(=O)N(c1nccc(c1)C)C1CCN(CC1)c1nccc(c1)N	2.02
COc1ccc2nnc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	33
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccncc4)nn3c(N)nc12	2.184
CC#Cc1cncc(c1)-c1ccc2OC(CCC(F)(F)F)C3(COC3)C3(COC(N)=N3)c2c1	1
C[C@H]1N(CCn2c1nnc2-c1nc(C)c(C)s1)C(=O)c1ccc(cc1)-c1cccs1	12
Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cccc(c2)C(N)=O)c1	0
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCO[C@@H]1C[C@H](C2)NC1CCOCC1	43
Fc1cnc2ccc(nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)N1CCOCC1	0
CS(=O)(=O)Cc1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1	32
O=C(N1CCC(CC1)CNc1ncccn1)OCc1ccccc1F	10
Cc1ncoc1-c1nnc(SCCCN[C@H]2CC[C@@]3(CC23)c2ccc(cc2)C(F)(F)F)n1C	2.5
Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@H]2CC[C@H](CC2)N2CCCC2)cc1	8
FC(F)(F)CCOc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cn1	20
Clc1ccc2c(c1)N1N=C(C(C1CO2)(CCCN1CCOCC1)c1ccccc1)C(=O)C	3.3
OC(C(N1CCNCC1)c1ccccc1)(c1cccnc1)c1cccnc1	2.3
Cc1ccc(cc1)Cn1c(nc2c1cccc2)C1CNCCO1	0.721
NCc1c(C)nc2c(c1c1ccc(cc1Cl)Cl)CN(C2=O)CC(=O)N1CCC(CC1)C(=O)N	80
O=C(O[C@@H](CC1[N+](C)C(CC1)[C@@H](C(=O)OCC)1)1)c1ccccc1	1.2
COc1cc(ncc1C#N)C(O)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1	6.4
Fc1ccc(cc1)[C@@H](NC(=O)c1cc[n+](cc1)[O-])CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cncc2	1.48
COc1cc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1	2
Fc1cc2onc(c2cc1)C1CC[NH+](CC1)CC[C@@H]1C(=NC2=[N+](CCC[C@H]2O)C1=O)C	0.15
NCC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1	7.6
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)s3	7.2
O=C(CCNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc(=O)[nH]cc1F	356.18
Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1	12.5
C[N@@H+]1CCCC[C@H]1CCN2c(cccc3)c3Sc(c24)ccc(c4)[S@](=O)C	0.3236
Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3ccnc23)c(F)c1	1.9
CCOc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	7.4
Fc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1cc2OCOc2cc1Cl	13.5
NC(Cc1cc(F)c(cc1F)F)CC(=O)N1CCNC(=O)C1COC(C)(C)C	79.6
Cc1nc(cc(n1)C(C)(C)C)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C	5.9
O=C1N(\C(S\C1=C1/SC(=NN1c1ccccc1)c1ccccc1)=N\c1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1)c1ccccc1	2.5
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)-n2cnnn2)cn1)c1nnc(o1)C(F)(F)F	5.7
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCC#N)C(=O)c3ccccc23)cc1	26
Cc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	35
O=C(N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1nccs1)CNC(=O)c1cccc(c1)C(F)(F)F	24
O=C(C(C)(C)C)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	1
Cc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F	27
COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(N)=O	50
CC(C)(C)Oc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	5.5
O=C1CN(C(=O)N1CC(F)(F)F)Cc1ccc(cc1)c1cccc(n1)CN1CCCCC1	10
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2ccc(nc2n1)-c1cccc(CNCCO)c1	13
CCN(C)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F	6.1
CCOC(=O)C1CCN(CCCCOc2ccc(cc2)S(=O)(=O)NC(=O)Nc2ccccc2)CC1	100
CN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C	154.8817
Fc1ccc(c(c1)F)[C@@]12COC(C[C@H]2CSC(=N1)N)c1cnn(c1)C	4.9
CN(C\C=C\c1ccccc1)Cc2cccc3ccccc23	19.4984
CCCN([C@H]1CCNC1)C(=O)c1ccccc1C(C)C	20
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccccc2)CC1	0
O=C(C(C(C(=O)N1CCC(C1)(F)F)N)c1ccc(cc1)c1ccn2c(n1)ccn2)N(C)C	100
COc1cc(F)ccc1-c1cccc(CNC2CCCC2)n1	6.2
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12	1.24
CSc1ccc([C@@H]2N=C(OCc3ccc(NS(C)(=O)=O)cc3)N(C)Cc3ccccc32)cc1.Cl	56
O=C1CCc2c(N1)ccc(c2)[C@@H]([C@H](N1CC[C@](CC1)(O)c1ccc2c(c1)COCC2)C)O	16
O=C(NC1CC1)c1cn(-c2cccc(c2)C#Cc2cccnc2)c2ncccc2c1=O	16.7
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(OC(F)(F)F)cc2)n1C	0.2667
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(F)c1	10
O=C1OCc2cc(CCC3CCN(C(=O)Cc4ccc(-n5cnnn5)cn4)CC3)ccc21	2
COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@H](C2)c2ccc(OC)cc2)cc1	0
C[C@@]1(c2cc(CNCC(F)F)c(F)cc2F)CCSC(N)=N1	14.7
CC(C)Oc1cc([C@@](Cc2ccccc2)(NC(=O)C(N)C(O)(C(F)(F)F)C(F)(F)F)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F	44
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)(F)F)c1	5.8
COc1nc2ccc(C(=O)O)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12	10
C(CCN1CCN(CC1)c1ccccn1)CCCN1CCN(CC1)c1ccccn1	10
Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1	31.6
O=C(O)CN1CCC2(CC1)CCN(c1ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cn1)CC2	4.8
O=C(N(c1ccccc1)C1CCNC1)c1ccccc1Oc1ccccc1	2.81
COC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O	47.7
OC(=O)[C@H](Cc1ccc(Cl)cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	3.9811
COc1ccc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)cc1	0.79
O1CCC(CC1)C1NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)c1ccccc1	0.38
O=C(NCC1(CCCCC1)N1CCOCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1	4.3
COc1ccc2ncc(F)c(CC(F)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	3.2
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F	4.8
CN1CCCC1COc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O	0
COc1ccc(CCCN2[C@@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1	14.3
CN1C(C)(C)CC(Nc2nc3c(-c4ccc(C(=O)N5CCN(S(C)(=O)=O)CC5)cc4)cnn3c(N)c2-c2ccccc2)CC1(C)C	14
CCN(CC)c1ccc(NC(=O)C2(CCc3cccc(OC)c3C2)N(C)C(=O)OCC(C)C)cc1	6.1
O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	0.7943
O=c1cc(o[nH]1)[C@H]1CCN[C@@H](CCc2ccccc2)C1	1000000
O=C(c1ncc2c(c1)cccc2)NCCCCN1CCN(CC1)c1cccc(c1Cl)Cl	0.2
CC(C)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12	10
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(F)c1F	70
[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1	31.6
CCCCCCC[N+](CC)(CC)CC#Cc1ccc(Cl)cc1.Cc1ccc(S(=O)(=O)[O-])cc1	0.04
COc1ccc2ncc(F)c(CC(N)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	14.6
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(C[C@@H]3CCCN3)ncc2c1	2
O=C1CN(c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)CCN1	50.1187
Cc1c(ccc(F)c1C#N)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cn1)-n1cnnn1	20.3
FC1CCC(C1)NCc1nc(n(c1C(C)C)c1cc(F)cc(c1)F)C	34
O1[C@@H]2[C@]34[C@@]5([C@H]([NH+](CC3)CC3CC3)Cc3c4c1c(O)cc3)C[C@H]([C@@](O)(C(C)(C)C)C)[C@]2(OC)CC5	7.58
CCCC[C@@H](CCO)Nc1nc(N)nc2c1CN(C(=O)c1cccs1)CC2	6.9
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1	3.367
Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCOCC1=O	79.75
Clc1cc2c(n(cc2C2CC[NH+](CC2)CCN2CCNC2=O)-c2ccc(cc2)CCOC)cc1	131
OC(CN1CCN(CC1)Cc1ccc(cc1)Cl)COc1ccc(cc1)F	1.35
ONC(=O)C=Cc1ccc(cc1)CNCCc1c([nH]c2c1cccc2)c1cccs1	0.48
CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)cc(C2(S(C)(=O)=O)CC2)n1	4.6
N#Cc1ccc(C(=O)N2CCN(c3ccc(OCCCN4CCCCCC4)cc3)C(=O)C2)cc1.O=CO	12.5892
CC(C)c1nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)ccc1F	7.9
NCc1c(C)nc2c(c1c1ccc(cc1Cl)Cl)CN(C2=O)CC(=O)N1CCN(CC1)C	80
CC(C)N([C@H]1CCNC1)C(=O)c1ccccc1C(F)(F)F	20
CCc1cc(ccc1C)C(c1ccccc1)(c1ccccc1)SCC(C(=O)O)N	25
Clc1ccc(C2CC=CCNC2)cc1Cl	11
COc1ccc(cc1O)C(C(C)C)(CCCN(CCc1ccc(c(c1)OC)OC)C)C#N	2.2
OC(=O)C1CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1c2cccc1	63
Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O	13
CC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)C)n1	3.7
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc(C)cc1	3.3
Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4nc(oc4c3CC2)C(F)(F)F)n1C	5
CCOC1Cc2c(C1N1CCN(CC1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)ccc(c2)C(F)(F)F	4.5
CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2ccc3OCOc3c2)c1	5
C(N1CCN(Cc2nc3ccccc3s2)CC1)c1nc(no1)-c1ccccc1	13
CS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	6.3
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1	0.6
C=CC(=O)Nc1cc(Nc2nccc(-c3cn4c5c(cccc35)CCC4)n2)c(OC)cc1N(C)CCN(C)C	8.46
CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1	0
Nc1n[nH]c(N2CCC(N3CCCC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1	8.3
ONC(=O)C=Cc1ccc2c(c1)CN(C2)C(=O)c1cccnc1	30
Clc1ccc2c(c1)c1nc([nH]c(=O)c1o2)C1CCCN1	30
CC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1	3.9
N[C@@H]1COC[C@H]1Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	11.3
COc1nc2ccc(Br)cc2cc1[C@@H](c1cc(C)c(C)s1)[C@@](O)(CCN(C)C)c1cccc(F)c1	0.88
Cc1ncccc1-c1nc2cn(-c3cccc(OC(F)F)c3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1	8.4
CCc1oc(CCc2cc(cc(NCC(F)(F)F)n2)N2CCOCC2)nc1C	1.6
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(F)c1	0.4
Fc1cccc(c1)N(C1CCN(CCC2(CCN(CC2)C(=O)c2ccc(cc2)C#N)c2cccc(F)c2)CC1)C(=O)NCc1ccc(cc1)C#N	0.4
CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1	4.6774
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(nc1)-c1ccc(cc1C)C(O)=O)c1cc(=O)[nH]cn1	20
Cc1[nH]c2ccccc2c1CC(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1	30
FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)cnc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1	5
COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C	14.5
COc1cc(-c2cn(C3CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1	3.56
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)c2c1	1.8
O=C(NC1CCc2ccccc2C1)N1CCC(CC1)c1nc(no1)-c1ccccn1	6
Cc1ccccc1C[C@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)C(O)=O	25.1
N#Cc1cccnc1c1ccc(cc1)C(=O)Nc1ccccc1N	31
CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CN(CC=C)C2	0.1
Cc1c(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)cn3)CC2)ccc2c1COC2=O	33
COc1cc(OC)cc(c1)-c1nnc(o1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O	13
N#Cc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OCCCN1CCCC1	16
N[C@@H]1CCCC[C@H]1Nc1nc(Nc2cccc3c2[nH]cc3C)c2c(c1)nc[nH]c2=O	30
CN1CCC(COCc2cc(cc(n2)C2CC2)C#N)(CC1)c1ccc(F)cc1	17
Clc1ccc(c(c1)Cl)c1noc(n1)C(C(C(=O)N1CCCC1)N)C	37
Cl.N[C@H](CO)c1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1	13.8
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1	5.1
Fc1ccc(cc1)[C@@H](NC(=O)c1ccc[n+](c1)[O-])CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cc(F)cc2	10
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccc1C(O)=O	43651.5832
CC(=O)c1cccc(c1)-c1cccc(c1)-n1cc(C(=O)Nc2nccc(Cl)c2Cl)c(=O)c2cccnc12	0.7
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2)C1	10
N#C[C@H]1CN(C[C@H]1F)C(=O)C[C@@H](Cc1cc(F)c(cc1F)F)N	40
C(COc1ccc(cc1)[C@H]1Oc2ccccc2S[C@H]1c1ccccc1)CN1CCCC1	0
COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4cc5c(cn4)OCCC5)CO3)c2c1	12
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1=CCC(=O)N=C1	9.5499
COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC/C(=N\N1CCN(C)CC1)C2(C)C	24
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2ccnc(OC)c2OC)cc(OC(C)C)n1	17
CC(C)Cc1cc(CNS(=O)(=O)c2cccc3cccnc23)nn1-c1ccc(F)cc1	1.6
COc1cccnc1Nc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1	10
N#Cc1c(N2CCCC(C2)N)n(c2c1n(C)c(=O)n(c2=O)Cc1ncccc1C#N)CC=C(C)C	16.9
CNCc1cc(F)ccc1Oc1ccc(Cl)cc1	7.39
Cc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N	0
Fc1ccccc1C2=NCC(=O)Nc3ccc(Cl)cc23	16.5959
Cc1cc(=O)n2C[C@](O)(CC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c3c(F)cnc1c23	60
OCCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	100
CCC1(C)CC(=O)N(CCCCN2CCN(c3cccc4sccc34)CC2)C(=O)C1	6.21
COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	35
CN(CCN1CCN(C1=O)c1cccc(C)c1)C[C@@]12CC[C@@H](CC1)C2(C)C	1.58
COc1c(C)cc(cc1C)C1(N=C(C(=N1)C)N)c1cccc(c1)c1cncnc1	33
COc1ccc2ncc(F)c(C(O)CC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	4
CO\N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1	0.2
Brc1cncc(c1)C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O	6
CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OCC(C)(C)C)CC2)c2ccccc2n1	14
CC(C)N(CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O)C(C)C	0
CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O	5.0119
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)[C@@H](C)CC	22.7
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1	4.2
N#Cc1ccc(cc1)Cn1cncc1CNC1CCN(C1)C(=O)c1cncc(c1)Br	6
Clc1ccc2c(c1)sc(c2)S(=O)(=O)NCCCN1CCN(CC1)c1nsc2c1cccc2	20
Clc1cc2[nH]nc(NC(=O)Nc3ccccc3)c2cc1-c1ccccc1	10
CCN1C2=NC3(CCc4ccccc34)CN2c2c(nc(Cc3ccccc3)n2Cc2ccccc2)C1=O	2.3
CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCO)C#N	30
CCCCCCCN(CC)CC#CCc1ccc(Cl)cc1	0.0049
CC(C)OC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(F)cn1	79.4328
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1ccc2occc2c1	0.6
CC(C)(C(=O)O)c1ccc(CN2CCC(COC(=O)c3c4n(c5ccccc35)CCCO4)CC2)cc1	69
Fc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3nncs3)n2)cc1	2.5
Cc1cc2nc(CC3CC4CCC(C3)N4)n(Cc3ccc(Cl)cc3)c2cc1C	4.3
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1	2.8
Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1	0.3981
Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C	2187.7616
O=C(C1=CC(=O)c2c(C1)cc(c(c2)Cl)Cl)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	1.4
N[C@H]1C[C@@H](N2Cc3cnc(C(F)(F)F)nc3C2)CO[C@@H]1c1cc(F)c(F)cc1F	23
O=C(O)C[C@H]1COC2(CCN(c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)CC2)C1	4.9
NC(=NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2)N	2.5704
FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1	2.5
O=C(NC1CN(C1)C1CC[C@](CC1)(O)c1cccnc1)CNC(=O)c1cccc(c1)C(F)(F)F	35
Fc1ccc(cc1)-c1[nH]c2c(ccc(F)c2)c1[C@H]1CCC[NH2+]C1	1.3
Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1	6.3096
CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cccnc2)CC1)c1ccc(cc1)C(=O)N1CCC1	11
ONC(=O)/C=C/c1ccc(cc1)CNCCc1cnc2n1cccc2	50
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1noc(C)n1	7.3
NC(=O)c1ccc2cc1NCC1COCCN1CCCc1n2c2CC(C)(C)CC(=O)c2c1C	12.5
CC(C)(C)NC(=O)NCCN1CC(C1)NC(=O)c1cc(Cl)cc(Cl)c1	13
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3F)C2)nnc1-c1cccnc1	0.9333
CC#C[C@@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O	3.4
CCc1cc2OCC(=O)Nc2nc1CNC12CCC(C[C@]3(O)Cn4c5c3c(F)cnc5ccc4=O)(CC1)OC2	60
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2sncc2Cl)C3=O)ccc2c1COC2=O	1.5
OCC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1	2.7
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1.Cl	7
CCc1nsc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1	32
O=C(Nc1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1	1
CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1	10
O=C(NC(c1ccc(cn1)OCC(F)(F)F)C)Cc1ccc(cc1)C1CC1	10
CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1	12
O=C1NCCc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4ccccn4)cc3)c(cc12)-c1ccccc1	2.5
C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O	30
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CC[C@H]2CCCC[C@@H]2NC1=O	20.8
COc1cnc2ccc(=O)n(CCN3CCC(CC3)NCc3cnc(OC)c(c3)C#N)c2c1	12
Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(C)(C)C)n1C	0.8
N#Cc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OC1CCN(CC1)C(C)C	63
Cc1ccc(NC(=O)N2CCN(c3nc(N)nc4sc(-c5cccnc5)nc34)CC2)cc1	2
CC(C1CCC(CC1)N1CC(C1)NC(=O)CNc1n[nH]c2c1cc(cc2)C(F)(F)F)C	6.2
CC1CCN(CC1)C(=O)c1ccc2n(C)c3CCN(Cc3c2c1)C1CCOCC1	2.6
Cc1cc(nc(n1)N1C[C@@H]2C[C@@H](C[C@@H]2C1)c1ccccc1C(F)(F)F)C(O)=O	30
CC(C)c1nc(Nc2cc(NCCN)nnc2C(N)=O)ccc1C	6.3
N#Cc1ccc2c(c1)n(CCN1CCC(C(C1)F)NCc1ncc3c(c1)OCCO3)c(=O)cc2	122
Cc1[nH]c(-c2ccccn2)cc1C(=O)NCCCN1CCN(c2cccc(Cl)c2Cl)CC1.Cl.Cl.Cl.Cl	0.9
O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1	47.8
O[C@H]1CNC(Cn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1	30
OC1CN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1	3.3
OCC[C@]1(CCCCNC1)c1ccc(Cl)c(Cl)c1	33
CCCOC(c1ccccc1)(c2ccccc2)C(=O)OC3CCN(CC3)C.Cl	20.3
CC(=O)Nc1ccc2c(c1)CCC2N1CCC(CC1)NC(=O)c1cc(=O)c2c(o1)cc(cc2)F	34.8
CC1COCCN1c1cc(nc(n1)c1ccc2c(c1)cc[nH]2)CS(=O)(=O)C	32
C1C[NH+](C)CCN1C2=Nc(cc(Cl)cc3)c3Nc(c24)cccc4	0.256
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34	7.7625
COc1cc(C=Cc2nc3cc(Br)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1	10
COc1ccc(cc1)C1CN(CC1CCc1[nH]c2c(c1)ccc(c2)Cl)CCc1ccc(c(c1)OC)OC	0.045
CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3	12.8825
CC1Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccncc3)c2O1	14.5
CC(C)C(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1	15
CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc3ccc(C)c(O)c3C(=O)[O-]	20.4174
CC(=O)N1CCN(c2cccc(-c3cc(-c4ccnn4CC(F)(F)F)c4c(N)ncnn34)c2)C(=O)C1(C)C	17
CS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)N2Cc3cn(-c4ccccc4F)nc3C2)c1	9.9
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1	1.1
O=C(N1CC2C(C1)C2CNc1scc(n1)c1ccccn1)C1COCC1	2
O=C1/C(=N\NC=2C(=O)N(NC=2C)c2cc(C)c(cc2)C)/C=CC=C1c1cc(ccc1)C(O)=O	0.69
COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)CCC1=O)C	171
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3cncs3)c2c1	50
Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(c2ccc(S(C)(=O)=O)cn2)C3)ccc2c1COC2=O	24
C[C@H](NC(=O)[C@H]1CNC[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1	32
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(C(F)(F)F)cc3F)C2)n1C	0.5248
COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12	14.4544
Cc1nc(c(o1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F)C	3.16
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ncco1	50
Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1	24.2
N#Cc1ccc2c(c1)[nH]c(n2)C1CCC2(CC1)OC(=O)N(C2)c1ccc(cc1)F	1.6
F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1	199
S(=O)(CCC[NH+](CC)C[C@@H](O)COc1ccc(cc1)C#N)CCC	0.44
O=C(N([C@H]1CCNC1)c1ccccc1)c1ccccc1Oc1ccccc1	2.8
C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ncc(NC(=O)c3ccc(OC(F)F)cn3)s2)CO1	11.97
Clc1ccc(c(c1)Cc1cccc(n1)C(=O)O)OCc1ccc(cc1F)Cl	32
Fc1ccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1	10.7
CCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(OC)c1	33.1
CCC(CC)NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F	0.3
Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1	30
COc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3c2)cc1OC	1.9
NCc1c(C)nc2c(c1c1ccc(cc1Cl)Cl)CN(C2=O)CC(=O)N1CCN(CC1)S(=O)(=O)C	80
CCOC(=O)c1cncc(c1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1	2.257
Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)CC3CCCCO3)CC2)n1	11
Cn1ccc(COc2cnc3ccc(=O)n(CCN4CCC(CC4)NCc4ccc5OCC(=O)Nc5n4)c3c2)n1	100
S(=O)(=O)(N(C)[C@@H]1c2cc(OCCCC(F)(F)F)ccc2OC(C)(C)[C@H]1O)C	10
N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1	40
COc1cccc(c1)N1CCN(C[C@H](O)COc2ccc(cc2)C(F)(F)F)CC1	4.08
COC1CN(CCC1NCc1ncc2c(c1)OCCO2)CCn1c(=O)cnc2c1cc(OC)cc2	75
N#Cc1cnc(s1)Nc1ncnc(c1)N1CCN(CC1)CCCN1CCOCC1	4
CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)CC2)c2ccc(C)c(Cl)c2)CC1.Cl	1.82
CNCCC(c1ccccc1)Oc1cc(Cl)ccc1C#N	10
CCOc1cc2nnc(c(c2cc1N1CCN(CC1)C)Nc1ccc(cc1F)F)C(=O)N	16
CC(C1CC1)n1cc(Nc2nc(N)nc(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)n2)cn1	13.5
CC(=O)NC(c1cccc(c1)F)CCN1C2CCC1CC(C2)n1c(C)nc2c1CCN(C2)c1cnccn1	1
N#C[C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@H](O)C(F)(F)F)cc2)n1	32
COc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F	2.5
Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)s1	0.522
Cl.Cl.FCCOc1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1	3.05
Cc1ccc(Cn2cnc(=O)c3cc(Oc4ncccc4C(F)(F)F)ccc32)cc1	17
O=C(CCNC(=O)c1cccc([N+](=O)[O-])c1)NC1CCOC1=O	904.35
[O-][S@@+]1CC[C@H](CC1)C(=O)N[C@H](c1ccc(cc1)F)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1ccc(c2)F	10
CC(=O)O[C@]1(C(=O)C)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	16.5959
CCCCCc1ccc(cc1)-c1ccoc1C(=O)NNC(=O)c1ccc(O)c(c1)[N+]([O-])=O	1
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(Sc3ccc(F)cc3)nc2C1=O	25
COc1cc(ccc1n1cnc(c1)C)c1nnn(c1)C1CCC(CN(C1=O)Cc1ccccc1)c1ccccc1	0.2
Cn1c(SCCCN2CC3CCN(c4cccc(C#N)c4)C3C2)nnc1-c1cnccn1	0.1
N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2	13
O=C1COc2ccc(CNC3CCN(CCn4c5cc(O[C@H]6CCOC6)cnc5ccc4=O)CC3)nc2N1	100
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4cc3Cl)c2n1	5.8
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1	3.8102
O=C(Nc1ccc(Cl)cn1)[C@H](CN1CC(O)C1)Oc1ncnc2c1cnn2-c1ccccc1Cl	10
COc1cc(ccn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	0.2
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2cc(-c4ccccc4)ns2)C3=O)ccc2c1COC2=O	0.0095
CCCOC(c1ccc2ccccc2c1)C1CNC1.Cl	0.98
Cc1ccc(C(=O)N2CCN(c3ccc(OCCCN4CCCCC4)cc3)C(=O)C2)cc1.Cl	31.6228
Cc1cc(N2C[C@@H]3CC[C@H](C2)[C@H]3Nc2nc3n(n2)CCCN3c2cc(F)cc(F)c2)ncn1	0.7
O=c1nc(c2ccccc2Cl)c2c([nH]1)N(C(=O)NC2)c1c(Cl)cccc1Cl	4.6
CN1CC(C(C1)NS(=O)(=O)C(C)C)c1ccc(cc1)c1cccc(c1)NS(=O)(=O)C	31.6
O=C(Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(c3ncc(Cl)cn3)CC2)cc1)N1CCC1	7.4
O=C(NC1CCN(C1)C1CCC(CC1)(O)c1ccc(nc1)C)CNC(=O)c1cccc(c1)C(F)(F)F	30
COc1cc2CCN(C)[C@H](Cc3ccc(O)c(Oc4ccc(C[C@H]5N(C)CCc6cc(OC)c(OC)cc56)cc4)c3)c2cc1O	9.35
Cc1nn(C2CCN(CCO)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1	9.3
Fc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1	0
CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1	7.2
COc1ccc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)cc1	18.4
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccn(C)c(=O)c1	7.9433
O=C1COc2c(N1)ccc(c2)[C@@H]([C@H](N1CC[C@](CC1)(O)c1ccc(cc1)F)C)O	1.6
Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4c3cccc4Br)C2)n1C	0.6
COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1	1.5
O=C(NC1CN(C1)C1CCC(CC1)(O)c1cncs1)CNc1nc(nc2c1cc(cc2)C(F)(F)F)C(F)(F)F	32.7
Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1	10
CCCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1	1.8
COc1ccc2ncc(c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1)C(F)(F)F	0.4
O=C1CN(c2ccncc2)CCN1CCCCCOc1ccc(-c2ccc(Cl)cc2)cc1	0.37
CCc1c(C)[nH]c2c1/C(=N/NC(=O)Nc1ccccc1)CCC2	21
Cc1cc(F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O	100
C[C@@H]1[C@H](Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1	1.3
FC1CCN(C1)C(=O)C(C(C1CCC(CC1)NC(=O)C)C)N	100
COCCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	9.4
CC(=O)O[C@H]1C[C@@]2(C)CN3C4C5(C1)[C@@H]2C3CC12C5[C@H](OC(=O)C)[C@H](C([C@]41O)OC(=O)C)C(=C)C2	17.9
C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N1CCN(C)CC1)c1ccc(F)cn1	13
O=C(NC1C[C@@H]2[NH+]([C@H](C1)CCC2)C)c1nn(c2c1cccc2)C	3.71
CC(C)(O)COCc1cccc(Nc2sc(cc2C(N)=O)-c2c(F)cc(cc2F)C(C)(C)O)n1	12
CCC(CO)NS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1	5.1
CO[C@H]1CCC2(Cc3ccc(cc3C22N=C(N)N(CC3CCCO3)C2=O)C#N)CC1	10
COc1ccc2ncc(F)c(C[C@H](OC)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	6
C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1	12
Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4)C3C2)nnc1-c1cnccn1	0.3162
FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1	30
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1nccs1	32
Clc1ncnc(c1)C1CCN(CC1)C1CCC(C1)(C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(O)(C)C	0.186
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	0.4074
Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4cccnc4)ccc3ncc21	11
Oc1ccc(cc1)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1	30
CO[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1	30
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@H]1CNCCO1)C(F)(F)F	6.2
NS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	6.3
CCCCOC(=O)N1CCN(CC1)C(=O)C(NC(=O)c1cc(cc(n1)c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1)CCC(=O)O	90
COc1cccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c12	10
Cc1ccc(S(=O)(=O)N/N=C/c2cn(CC(=O)Nc3ccc(F)cc3F)c3ccccc23)cc1	42.97
Cc1ccc2c(n1)cccc2c1nnc(n1C)SCCCN1C[C@@H]2[C@](C1)(C2)c1ccc(cc1)C(C)(C)C	0.25
CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1	6.9
CC(=O)NC1CC(C)(C)Oc2c1cc(c1ccc(cc1)Cl)c(n2)c1ccc(cc1Cl)Cl	0.54
CCCCCCCCCCCC[N+](CCOc1ccccc1)(C)C	0.009
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(C#N)ccc3nc2OC)c2cccc3c2CCC3)cc(OC)n1	4.5
NC(=O)Cc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F	9.5
Clc1cnc2oc(nc2c1)N1CCN2CCC1CC2	2.2
O=C(c1cc(Cl)cc2c1nc(o2)N)NC1CN2CCC1CC2	4.8
Fc1cc(ccc1Cl)C(Oc1ccccc1)C1CNC1	1.6
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1	10
Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccnc(c1)N1CCNCC1	28
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F	27.6
Nc1ncc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1	10
Clc1ccc(cc1)c1cc2C(NC(=O)c3ccccc3N)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	30
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(C#N)cn2)CC3)ccc2c1COC2=O	0.193
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1	30
COc1cc(ccc1Nc1ncc2n(n1)c(cc2)c1ccccc1N(S(=O)(=O)C)C)N1CCN(CC1)CC(O)C	9.1
O=C(C(NS(=O)(=O)C)(C)C)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	25.1
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccccc1	1.6
O=C(NCC(F)(F)F)c1ccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)cc1	4.9
CC(C)(C)NC(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	33
COC(=O)C1C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O	23
CNC1CCCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1	213.7962
Cc1ccc2oc(C(=O)CC#N)c(C)c2c1	0.03
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCC(=O)OCC)cccc2	66
CC#CC(C1OC(=O)NC1=O)c1ccc(cc1)Oc1ccc(cc1OC(F)F)C(F)(F)F	3.4
ClC=1C=CC2=[N+](C(=O)N=C2C=1)C1CC[N+](CC1)CCC[N+]1=C2C=CC=CC2=NC1=O	0.1621
CC(C)(O)c1ccc(c[n+]1[O-])C#Cc1cccc(c1)-[n+]1cc(C(=O)NC2CC2)c([O-])c2cccnc12	89.4
CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1	2.3
CN(CCc1ccc(cc1)NS(=O)(=O)C)CCOc1ccc(cc1)C(F)(F)F	0.044
COc1cc(OC)cc(c1)C(=O)NCC1(CCN(Cc2ccccc2OC)CC1)C#N	0.9
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC(C)C)CC2)c2ncccc2c1.Cl.Cl	0.0437
CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F	17
Cc1cc(Oc2cncnc2)cc(C(=O)Nc2ccc(F)cn2)n1	73.6
CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccc(N)cn3)c2O1	40.45
COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2c1CCCC(N1CCN(CCO)CC1)C2	0.24
CSc1nc(-c2cc(OCCN3CCCC3)c(Cl)cc2Cl)c2c(c[nH]c2n1)C#N	3.6
O=C1CCc2c(N1)ccc(c2)[C@@H]([C@H](N1CC[C@](CC1)(O)c1ccc(cc1)Cl)C)O	1
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1	10
CC1CN(CCc2c(C)c3c(n2c2cc(NC1C)c(cc2)C(=O)N)CC(CC3=O)(C)C)C(=O)C(N)C	33
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1	22
Clc1ccc(cc1)CC1CC[N+](CC1)(CCc1ccccc1)CCc1ccccc1	0.83
NS(=O)(=O)c1ccc(OCCCCN2CCCCC2)cc1	13.6
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1ccc(N)nc1	0.75
Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O	49.9
C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccn(C(F)F)n3)cs2)CO1	9.3
Cc1c([C@H](O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O	100
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C(F)(F)F	26
C1CCCn(c12)c(=O)c(c(n2)C)CC[N@H+](CC3)CC[C@@H]3c4noc(c45)cc(F)cc5	0.1514
ClC=1C=C([C@H]2N(C=C(N2)C)C=1N)C(=O)NC[C@@H]1CCCN(C1)CC(C)C	2.6
CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12	2.5119
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(Cl)cc1)C#N	30
Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4ccc(Br)cc34)C2)n1C	0.79
Cc1c(Cl)ccc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccc(F)cc3)C(O)=O)CC2)c1Cl	31.6
CC1(C)C[C@@H](NC(=O)c2n[nH]c3ccccc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl	4.6
CCCn1c(C)c(cc1-c1ccccc1)C(=O)N(C)CCCN1CCN(CC1)c1cccc(C)c1C	0.7
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C#N	0.37
CNc1nc(NCCCN(C)C)c2sc(-c3ccc(OC(F)(F)F)cc3)cc2n1	2.8
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)c(Cl)nc3ccc2=O	60
CC(N1CCOCC1)C(O)(c1cccnc1)c1cccnc1	60
N1CCC(CC1)N(c1cccc2c1cn[nH]2)Cc1ccccc1	10
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4cncnc4)cc23)CC[C@]1(C)N	8.5
O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NC2CCCS(=O)(=O)C2)cc1	100
O=C1COc2c(N1)nc(cc2)CNC1CCN(CC1F)CCn1c(=O)ccc2c1cc(cn2)Oc1nocc1	100
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3F)[C@H]12)C(N)=O	13
COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2c(C#N)c(N3CCC[C@H](N)C3)n(CC=C(C)C)c2c1=O	1.6
Cc1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F	50
Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N	31
Cl.Cl.FCCOc1ccccc1CCN1CCN(CCc2ccccc2)CC1	5.49
Cc1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)cc2)cc1	8.95
N#Cc1ccccc1Cn1c(nc2c(c1=O)cc([nH]2)C)N1CCCC(C1)N	300
Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1CO	20
CN1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4N	0.8511
Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(c2ccc(C#N)cn2)C3)ccc2c1COC2=O	1.8
O=C(Nc1c(cccc1C)C)CC12[NH+](CCC1)CCC2	20.4
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(CC(C)(C)C)C1=O)C(C)(C)C	2.1
COc1cnc(OC)c([C@H](c2cc3cc(C#N)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cc(OC)nc(OC)c2)c1	3.1
CC(COc1cccc(c1N1CCCC(C1)N)/C=C\1/SC(=O)NC1=O)C	23
Clc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1Cl	10
COc1cc(ccc1NS(=O)(=O)c1ccc(cc1)C(C)C)C12CNCC2C1	1.3
Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3cc(F)ccc3F)CC2)n[nH]1	3.4
CC(C)CC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1	10
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)C(C)(C)C(N)=O	23.4
O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c4ccccc4	8.1283
CC(C)Cc1cc(CNS(=O)(=O)c2cccc3cccnc23)nn1-c1ccccc1	4.67
CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ncccc2F)C1=O	1.2
CC(C)[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1O)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F	0.3
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CCN(C)C)c(=O)o1	3.4
CC(C)S(=O)(=O)N[C@H]1CN(C[C@@H]1c1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1)c1ccccc1	1.3
O=C(c1ccccc1)C1CCN(CC1)CCCc1ccccc1	0.199
O(C(=O)c1ccccc1)[C@H]1C[C@H]2[NH+]([C@H](CC2)[C@@H]1C(OCC)=O)C	1.2
CC(S(=O)(=O)NC1COCC1c1ccc(cc1)c1cscc1)C	63
C[C@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1	0
Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cn2)C(F)(F)F)CC1)c1ccc(F)cc1	0.8
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1	7.9
CC1(C)C[C@@H](NC(=O)c2ccc3[nH]ncc3c2)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl	0.6
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4ccnc5ncccc45)C3)C(=O)O[C@]12C	80
NC(=O)C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1	8.9
C(CN1CCOCC1)Oc1ccn(n1)-c1ccc2ccccc2c1	10
COC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1	10.3
O[C@H]1C[C@@H]2[NH+]([C@@H](CC2)[C@H]1C(OC)=O)C	6024.9965
CCOc1nc(cc(c1C#N)N)C(=O)NCc1cccnc1	100
NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1	2.3
NCc1c(C)nc2c(c1c1ccc(cc1Cl)Cl)CN(C2=O)CC(=O)N(C)C	80
COc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC21	1.9953
CN(Cc1ccc(OC2CN(C2)C(=O)c2nnc(o2)-c2ccccc2)cc1)CC1(C)COC1	14
Cn1c(SCCCN2C3CCC2CC(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ocnc1C	0.15
C[C@H](Nc1c(C(N)=O)nnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc12)C1CCOCC1	24
CC/N=C(\c1ccc(OC)c(OC)c1)N1CCCc2cc(C3=NNC(=O)SC3C)ccc21	6.6069
Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CC(F)F)cnc2C(N)=O)c1	5.2
N#Cc1ccc2c(c1)CCC(C2)N1CCC2(CC1)CC(=O)c1c(O2)ccc(c1)NS(=O)(=O)C	0.01
COc1ccc(CCNC(C)COc2c(C)cccc2C)cc1OC	6.1
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O	1.2589
Fc1cccnc1N1C[C@@H](N(CC1)/C(=N/C#N)/Nc1ccc(cc1)C(C)(C)C)C	1
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ncns2)C3=O)ccc2c1COC2=O	12.3
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCO)c2)CC1	10
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1	9
CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11COC1	20.7
CN1CCN(CC1)c1cccc(c1)-c1nc2ncc(Cl)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1	9.5
Cc1ccccc1-c1nc2cc(-c3ccc(Cl)cc3)sc2c(=O)n1CC1CCCN(C(C)C)C1	2.1
COc1ccc2c(c1)c(ccn2)NC(=O)C1CCC(CC1)NCc1ccc2c(c1)OCCO2	25
Fc1ncc2c(c1)CO[C@@]12CCN(CC1)Cc1ccc(cc1)[C@H](c1ccc(c(c1)F)F)O	0.52
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nn1	0.39
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)C(O)=O)cc(OCC)c1Cl	10
CNC(=O)c1cccc(OCCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1	1.03
FC(F)(F)c1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1	13
CC(C)OC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccc(C#N)cn1	12.5892
O=CN(C(CS(=O)(=O)N1CCC(CC1)OCc1ccc(cc1Cl)Cl)(CC(c1ncc(cn1)F)C)C)O	8
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNC2)Oc2ccccc12	6.4
Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1C(C)C	16
Clc1ccc(cc1)[C@H]([NH+]1CC[NH+](CC1)CCOCC(=O)[O-])c1ccccc1	30
Cl.N[C@@H]1CCC=C(c2ccc(F)cc2)[C@H]1CNc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl	4.6
[S-]c1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2n(cnc2)Cc2ccc(cc2)C#N)C1=O	11
CNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1	33
CCN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1	33
COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2ccncn2)c1	1.9
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O)C(F)(F)F	3
Cc1nc2ncccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	10
COc1c(OC)ccc2c1c[n+](C)c1c2ccc2c1cc1OCOc1c2	0.11
NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O	0.48
Fc1cccc(c1)N(C1CCN(CCC2(CCN(CC2)C(=O)c2c(F)cccc2F)c2cccc(F)c2)CC1)C(=O)NCc1ccc(cc1)C#N	1.2
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(N)=O)c(F)c2)n1	10
Cc1c(C(C)CN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)ccc2c1COC2=O	60
NC(=O)[C@@H]1CC[C@H](c2ccc(Oc3ccc(F)cc3)cc2)N1	5.0119
CCN(CC)CCSc1nc(-c2cc(OC)c(Cl)cc2Cl)c2c(c[nH]c2n1)C#N	1.4
COc1cc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCC4)ccc1-n1cnc(C)c1	4.73
Clc1ccc(cc1)C(CCNC1CCN(C1)C(=O)N1CCC(C1)N(C(=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)C)(C)C	2.6
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OCC34CCC(CC3)O4)c2)c2c(N)ncnc12	15
Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1	6
Cn1c(SCCCN2C[C@@H]3[C@](C2)(C3)c2ccccc2)nnc1c1ocnc1C	1.58
c1ccc(Cc2cc3c(s2)CCN2Cc4ccccc4CC32)cc1	21.3
CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2F)CC1	19.9526
Cc1ccc(cc1)OCCCc1cccc([n+]1C)C#CCOc1ccccc1	2.9
CC(C)(C)NCC(O)COc1ccccc1C2CCCC2	8.9125
N[C@@H]1CO[C@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	17.7
Cc1nnc2CCc3cc(ccc3-n12)-c1cncc(c1)[C@@](C)(O)C(F)(F)F	30
O=C(C(n1c(nc2c1cc(F)c(c2)F)c1ccc(cc1)Cl)C1CCCCC1)Nc1ccc(cc1F)OC1(CC1)C(=O)O	20
Cc1cn(CC(O)c2ccc(Cl)cc2Cl)c(N)n1	33.3
N=C(c1cccs1)Nc1ccc2c(c1)N(CC2)C1CNCC1	100
O=C(NC1CCC(CC1)(O)c1ccc(c(c1)C)O)CCc1ccccc1	30
COCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1	5.3
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1	1
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CCOCC1	32
Cn1c(SCCCN2CC3C(C2)N(CC3)c2ccc(cc2)C(F)(F)F)nnc1c1nccs1	0.1
O=C(O)C(=O)O.c1ccc(-c2ccc(OCCCCCN3CCCCCC3)cc2)cc1	2.03
Fc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OC1CCN(CC1)C1CCC1	32
Brc1ccc(cc1)N(C1CCN(CC1)C1CCCC1)C(=O)Nc1ccccc1	0.188
NC1CN(CCC1c1cc(F)c(cc1F)F)c1ccc2n(n1)c(=O)cc(n2)C	33.2
Fc1ccc(cc1)/C=C/NC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	0.064
OCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	2.9
Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(c2ccns2)C3)ccc2c1COC2=O	8
Cc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1	0.101
OC(=O)C12CN(CC2C1)C1CCC2(C1)Cc1ccccc1Cc1c2cccc1	40
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1	26.4
O=C(NC1CN(C1)C1CCC(CC1)(O)c1cncs1)CNc1cc(nc2c1cc(cc2)C(F)(F)F)C(F)(F)F	36.1
Cn1c(SCCCN2CC3CCN(c4ccccc4C(F)(F)F)C3C2)nnc1-c1cnccn1	1.26
Cc1cc2ncc3c(n2n1)CN([C@H]1CC[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3	0.6
N#Cc1ccccc1Cn1c(nc2c(c1=O)cc([nH]2)c1cccnc1)N1CCCC(C1)N	300
C(Oc1ccccc1CC(N1CCNCC1)c1ccccc1)C1CC1	2.96
O[C@H](CNC(=O)c1cnnc2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	6.3
O=C(NC1CCC(CC1)c1ccc(c(c1)F)O)CCc1ccccc1	10
FC(F)(F)c1cc(Nc2ccccc2)nc(NCc2ccccn2)n1	40.1
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccc(cc34)S(C)(=O)=O)CC2)c1Cl	31.6
CC1(C(=O)N2CCO[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)C2)CCC1	14
COc1ccc2c(CCCC22CCN(CCCSc3nnc(-c4ocnc4C)n3C)C2)c1	1.9953
OC1(CNCC(=O)N2CCc3ccccc3C2C2CCCCC2)CCCCC1	46.1
C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1	6.747
Cc1c(C(=O)CC#N)oc2ccc(Cl)cc12	0.03
CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)c(Cl)c2)cc1	7.56
Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1O	34.6667
OC(C(N1CCCOCC1)c1ccccc1)(c1cccnc1)c1cccnc1	3.5
CCOC(=O)N1CCN(Cc2nnc(o2)-c2cc(Cl)ccc2F)CC1	33
Cc1ccc(cn1)N1CCN(CCN2Cc3ccccc3C2)C1=O	31.6
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1cscc1	0.1
COC(=O)c1coc(CN2CCN(CC2)C(=O)CC(c2ccc(F)cc2)c2ccc(Br)cc2)n1	2.2
OC[C@H](NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1	25.8
CCS(=O)(=O)Nc1cc(-c2cn(C)c3c(=O)[nH]ccc23)cc2c1ccn2C(C)(c1ccccn1)c1ccccn1.Cl	29.258
COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC	4.4668
COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12	80
CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1	11
NC(=O)c1cccc(N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1	1.1
Cl.FCCOc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1	0.35
COc1ccc(CCN2[C@H](CN(NS(=O)(=O)CF)C2=O)c2ccc(OC)cc2)cc1	28.3
CN(CCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(=O)c1cc(-c2ccccc2)n(C)c1C	0.5
CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3F)CC2)c1	1.9
N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)Cc1cc2c(cc1Br)OCO2	48
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccn4)nn3c(N)nc12	25
CCOc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2cccc(OC)c2OC)cc(OCC)n1	5.5
CC#CCn1c(nc2c1c(=O)n(Cc1nc(C)c3c(n1)cccc3)c(=O)n2C)N1CCCC(C1)N	30
O=C(c1ccc(c(c1)Cl)Cl)C1CCN(CC1)CCCc1ccccc1	0.333
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCCOc3c2)Cn2c3c1c(F)cnc3ccc2=O	16.5
NC(=O)[C@@H]1CC[C@H](c2ccc(Oc3ccccc3)cc2)N1	12.5892
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccccc1	25
CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1	0.065
O[C@H](CNC(=O)c1cn[nH]c1C1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	2.5
CCOc1cc(ncc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1	10.2333
COc1cc2c(cc1OC)ncnc2N1CCC(CC1)CCNS(=O)(=O)N	0.601
CCNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(Cl)cc1F	30.1995
Cn1nc(cc1-c1ccccc1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1	7.4
Ic1cc(cc(I)c1OCC[NH+](CC)CC)C(=O)c1c2c(oc1CCCC)cccc2	1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1	21
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCc3ccccc23)c1	0
Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1c[nH]c(=O)c(Cl)c1	31.6
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2=O)c2ccccc2)C(C)(C)C1	10
FC(F)(F)Oc1cccc(c1)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O	3.98
COC[C@@](C)(N)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1	3.7
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(c(F)c1)S(C)(=O)=O	2.9
CC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1	0.54
CC(N1CCC(C1)N(C(=O)c1ccc(cc1)Cn1c(C)nc2c1cccc2)C)C	30
O=C(NC1CC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	11
CN(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1	12.2
Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cc[nH]c(=O)c1	1.26
C1CCN(C1)[C@@H]([C@H](N1CCCC1)c1ccccc1)c1ccccc1	31.6
CN(C)C(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1.O=C(O)C(F)(F)F	4.6
[O-][S@@+]1CC[C@H](CC1)C(=O)N[C@H](c1ccc(cc1)F)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cncc2	10
S1C=2N(c3c(cc(F)c(N4CCN(CC4)CC=4OC(OC=4C)=O)c3)C(=O)C=2C(O)=O)[C@H]1C	316.2
Cc1cc(nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc12)S(C)(=O)=O	0
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(OCCN2CCCCC2)cc1	27.6
CC(=O)N1CCC(n2ncc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)c2C)CC1	21
COc1ccc2CC3N(C)CCc4cccc(c34)c2c1O	0.6761
CCCCN(CCCC)CC(O)c1cc(Cl)cc2\C(=C\c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12	8.1
CCOCCn1c(nc2ccccc12)N1CC[C@@H](C1)N(C)C	0.2
Cn1c(SCCCN2C[C@@H]3[C@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1cncnc1	3.16
N#CC1CCCN1C(=O)CNC(CNC(=O)c1cnc2n(c1)nc(c2)C)(C)C	500
O[C@H]1CNCCC[C@@H]1n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21	1.18
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3nc4cc(ccn4c3CC2)C(F)(F)F)n1C	0.25
C(N1CCN(Cc2nc3ccccc3s2)CC1)c1nnc(o1)-c1ccccc1	30
CON=C1CN(CC1(C)CN)c3cc2n(cc(C(O)=O)c(=O)c2cc3F)C4CC4	89.1251
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1	4
CCOC(=O)Nc1ccc(cc1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC	7.3
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ncn1)C(F)(F)F	42.6
C/C=C/1\N(C)C(CC1(c1ccccc1)c1ccccc1)C	50
C/C=C1/N(C)C(C)CC1(c1ccccc1)c1ccccc1	50.1187
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1oc(C)nc1C	40
Nc1nc2cc3CCN(Cc4ccc(F)cc4)CCc3cc2s1	3.6
CO[C@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@@H]1NCc1cc2OCCOc2cn1	93
Clc1cc(Cl)ccc1[C@@]1(OC(CO1)COc1ccc(N2CCN(CC2)C(=O)C)cc1)Cn1ccnc1	1.9
COc1cccc2OC[C@H]3CN(CCCCN4C(=O)Nc5c(sc6ncc(nc56)c7ccccc7)C4=O)C[C@H]3c12	3.4674
Clc1ccc(cc1)C(=O)n1c2c(cc(OC)cc2)c(CC(=O)[O-])c1C	300.0001
COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1ncnc(c1)C(F)(F)F	42.6
CN1CCC(COCc2cc(Cl)cc(n2)C(F)(F)F)(CC1)c1ccccc1	12
CCNC(=O)c1ccc(cc1)c1ccc2c(c1)CCN(C2=O)CCN1CCCC1C	7.4
Fc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C(F)(F)F	1.6
Cn1cccc1CNC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	2.4
CCC(CC)Nc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F	7.1
NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)[C@H]1CCCc2cccnc12	4.1
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(C#N)ccc3nc2OC)c2cccc3c2OCO3)cc(OC(F)F)n1	4.8
CCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1	6.3
Cc1cccc(c1)N1CCN(CC1)CCCCCCN1CCN(CC1)c1cccc(c1)C	2.2
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)-c2noc(n2)-c2ccncc2)nn1	10
CCCCCCCN(CC)CCCCCc1ccc(Cl)cc1	0.123
Nc1c(Br)cc(Br)cc1CNC2CCC(O)CC2	15.1356
CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	3.9
Cc1ncccc1-c1nc2cn(-c3cccc(OC(C)C)c3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1	6.8
COc1ccc(cc1C(N)=O)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C	32
COc1ccc(C2(c3cccc(-c4cccnc4)c3)CC(OC)C(N)=N2)cc1	2.5
C[C@H](N)CNc1nc(cc2cnccc12)-c1ccncc1	30
CN1CCN(CC1)c1cc(Cl)c2nc(Nc3ccc(Br)cn3)[nH]c2c1	7.3
CCN1CCN(CC1)Cc1cnc(c(c1)F)c1ccc(cc1)C(=O)Nc1ccccc1N	31
Cn1cc(cn1)-c1ccc2c(c1)[nH]c1c(ccc(NC3CCCCC3)c21)C(N)=O	0.6
CC(Cn1ccnc1)NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	31.6
CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1	6.8
CC1=C(CCN2CCC(=C(c3ccccc3)c4ccc(F)cc4)CC2)C(=O)N5C=CSC5=N1	0.0933
O(C(=O)C=1CN=C2C=1C=CC=C2)C1C[C@@H]2[NH+]3[C@@H](C1)CC(C2)C(=O)C3	5.95
Fc1cccnc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC44CC4)n3)c2c1	3
COc1ccc(cc1)[C@@H](O)C[C@@H]1N(C)CCc2cc(OC)c(OC)cc12	0.79
CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(Br)cc3)cc2)CC1.Cl.Cl	15.3
CN(C)C(=O)COc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1	10
Fc1cnc(CCN2C(C(=O)NCc3ccc(F)c(c3)C(F)(F)F)c3ccccc3C2=O)nc1	33
Nc1nc2cc3CCN(Cc4cccnc4)CCc3cc2s1	21
C[C@@H]1OCC2(CCN(c3nc4[nH]nc(-c5ccnc(NC6CC6)c5Cl)c4c(=O)n3C)CC2)[C@@H]1N	17
COc1ccc(cc1)[C@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@H]1OC(C)=O	17.378
Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCC[NH+]5CCCCC5)cc4	25.704
Clc1ccc(cc1)[C@@H](O)CN1CCC(CC1)Cc1ccc(F)cc1	0.02
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O	205.7
Clc1ccc(cc1)C(NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)CCS(=O)(=O)N	33.3
CC(=O)C1=NN2[C@@H](COc3ccc(Cl)cc23)C1(CCCN1CCOCC1)c1ccccc1	3.3
Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1C1CCCCC1	50
S(C[C@@H]1C[C@@H]2[C@H]([NH+](C1)CCC)C[C@@H]1c3c2cccc3N=C1)C	0.12
Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F	16.6
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ncccn1	30
COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCC(F)(F)F)nc1	12.5892
Cc1cc(Cl)cnc1C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1	10
O=C(Oc1cccc(c1)c1occc1C(=O)N)NCCCCCCc1ccccc1	10
CC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1	2.4
Cc1nn(C2CCN(C(=O)[C@H](C)O)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1	23
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc[nH]c1=O	8.05
CCc1ccccc1OC[C@@H](O)CN[C@H]2CCCc3ccccc23	10.7152
COc1ccc(cc1)[C@H]1CN(CCc2cccc(OC)c2)C[C@@H]1CNC(=O)c1cccc(Cl)c1	0
COc1ccc2c(c1)CNCCS2	7.029
OC(COc1ccc(cc1)NS(=O)(=O)C)CNCCc1ccc(c(c1)C)C	2.4
Cc1cc(ccc1-c1ccnc(NCc2[nH]nc(c2Cl)-c2ccccn2)c1)C#N	30
CCC(c1ccccc1)NC(=O)c1c(S(=O)C)c(nc2c1cccc2)c1ccccc1	33
CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1	15
FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1	1.2589
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(cc1)C(F)(F)F	30
CCN(CC)C(=O)c1ncc(cn1)C1=CC2(CCNCC2)Oc2ccccc12	100
Clc1ccc(Cn2c(\C=C\C3CCN(CC4CCCCC4)C3)nc3cc(Br)ccc23)cc1	1.1
COc1cc(ccc1Nc1ncc(c(n1)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C)Cl)N1CCN(CC1)C(=O)C	30
COc1cccc(c1)C1(O)CCN(CC1)C(C)C(O)c1ccc2NC(=O)CCc2c1	11
Cc1noc(C)c1-c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1	3.1
C[C@@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cccnc1F	10
Cc1ccc(NC(=O)[C@H](COC(C)C)Oc2ncnc3c2cnn3-c2ccccc2Cl)nc1	31.6228
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1ccc(F)cc1	8.6
Cc1nc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1	15.5
COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](Cl)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1	160
C[C@@H]1OCC2(CCN(c3cnc4c(-c5cccc(Cl)c5Cl)n[nH]c4n3)CC2)[C@@H]1N	0.004
CCN(CC)CCCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1	19.9526
CC(=O)C1=NN(\C(S1)=C1\S\C(=N/c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)N(C1=O)c1ccccc1)c1ccccc1	5.7
COc1cc(N2CC[C@H](C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12	5.6
Clc1ccc2c(c1)sc(c2)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2c1cccc2	20
C1NCC(CC=C1)c1ccc2ccccc2c1	15.4
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(CC2=Cc3ccccc3OC2(C)C)CC1	1.29
CCOc1cc(CN2CCC3(CC2)CC(Cc2ccc(F)cc2)C(=O)O3)cc(OCC)c1-c1ccc(F)cc1	0.95
Cl.NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1	12.5892
CN(C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12	8.6
CC1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)CC12CCC(C2(C)C)CC1=O	63
Oc1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1	0.5
COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1	10
O=C(N1CCN(CC1)C[C@H](c1ccc2c(c1C)COC2=O)O)Cc1ccc(nc1)n1cnnn1	33
C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3	10
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CC(CCNC1=O)[Si](C)(C)C	6.27
O=C(O)CC1CCC2(CCN(c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)CC2)O1	17.4
CCOc1cc([C@H](c2cc3cc(Br)ccc3cc2OC)[C@@](O)(CCN(C)C)c2cccc3ccoc23)cc(OC)n1	7.5
O=C(N1CCCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12	3
NS(=O)(=O)c1ccc(OCCN2CCCCC2)cc1	24
CC(=O)c1nn(-c2ccc(Cl)cc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1	11.5
CNC(=O)c1nccc(c1)Oc1ccc2c(c1)sc(n2)NC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F	100
NC(c1ccccc1)C(O)(c1cccnc1)c1cccnc1	60
C1NCC(CC=C1)c1cc2ccccc2o1	19
CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl	7.7
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2ccccc2OC)CC1	0.16
Fc1ccc(c(c1)F)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OC1CCN(CC1)C(C)C	63
Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1	10
CCc1c(C)c2OCC(=O)Nc2nc1CNC12CCC(CCc3c(F)cnc4ccc(OC)nc34)(CC1)OC2	0.7
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)S[C@]1(C)CCC(CC1)N1CCCC1=O	10
Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1	23.3
CC(C)N(CCc1c(C)nn2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1	10
C(N1CCCCC1)c1ccc(Oc2nc3ccccc3s2)cc1	30
Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1	0.9
O=C(NC1CCN(C1)C1CCC(CC1)(O)c1cccnn1)CNC(=O)c1cccc(c1)C(F)(F)F	30
Fc1ccc(cc1)C(CCC[NH+]1CCC([N+]2=C3C(=NC2=O)C=CC=C3)CC1)c1ccc(F)cc1	0.018
CC(c1ccccn1)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	33.3
CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)CC4)ccc3C)c(F)c12	24
CCCCNc1ncc2c(n1)n(CC1CCC(CC1)N)nc2c1ccc(cc1)S(=O)(=O)NC	3.2
C[C@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)CO[C@@H]1F	8
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccccc3)C2)n1C	3.9811
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1C)C(=O)C1(C)CCC(CC1)NC(=O)OC	3
CCCCN(CC)CC#CCCc1ccc(Cl)cc1	6
O=C(NC(c1ccc(Cl)cc1)c1ncccn1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1	1.2
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)C#N)c(c1)C(F)(F)F	4
Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1	24
O=C1COc2c(N1)nc(c(c2)Cl)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	126
CNc1noc2c1ccc(c2c1ccc2c(c1)cnnc2N1CCOCC1C)C	13
Fc1ccc(NC(=O)N(CCCN2CCN(CC2)C)[C@H]2[C@H]3[C@@H](C3)[C@@H](C2)c2cc3c(ON[C@H]3N)cc2)cc1C(F)(F)F	0.69
Oc1cc(ccc1)[C@@H]([C@H](CN(C)C)C)CC	12.8
COc1cc(C=Cc2nc(N)c3c(n2)oc2c3cccc2)ccc1n1cnc(c1)C	0.51
COc1ccc2c(nc(C#N)c(-c3ccccc3)c2c1)C(=O)NCCO	30
Cc1ncoc1-c1nnc(SCCCN2CCC3(C2)CCOc2ccccc32)n1C	6.3
FC([C@@H](CC[C@]1(C=C(NN1C(=O)N(C)C)c1cc(F)ccc1F)c1ccccc1)N)F	15.9
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)[N+]([O-])=O	50
C[C@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cncnc1	10
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)N1CCOCC1)c1cc(=O)[nH]cn1	13
O=C1NCCC21CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)c1cccs1	18
CCCOC(C1CNC1)c1ccc2ccccc2c1	1
O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(Oc2ccccc2)cc1	8.24
COc1cc2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O	0.7079
Cc1cc(ccc1NC(=O)c1ccccc1F)-c1nnc(NCCCN2CCCCC2)o1	15.8
NC(=O)c1cnc2ccc(-c3cccnc3)cc2c1NCC1CCCCC1	0.83
CC(C)(C)c1c[nH]c(C2Cc3c([nH]c4ccccc34)C(C3CCOCC3)N2)n1	2.944
CC(C)[C@H]1N(CCn2c(Nc3ccc(F)c(Cl)c3)c(nc12)-c1ccc(F)cc1)C(=O)CN	13.4
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCNCC1)c1ncc([nH]1)C#N	10
c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2ccsc2)c[nH]1)C3	0.146
Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	30
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1	81.7
O=S1(=O)CCCN1CCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1	17.27
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C1COC1	100
Fc1ccc(NC(=O)N(CCCN2CCN(CC2)C)[C@H]2[C@H]3[C@@H](C3)[C@@H](C2)c2ccc(cc2)C#N)cc1C(F)(F)F	0.052
COc1ccc(cc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C(C2NC1CC1)O)(C)C	44
Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)C(F)(F)F)n1C	0.3
N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1	24.9
CC(=O)N1CCC(n2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)c(C)n2)CC1	5.2
Fc1c2[nH]c(-c3ccccc3)c(c2ccc1)[C@@H]1C[NH2+]CC[C@@H]1F	3
ONC(=O)C=Cc1ccc(cc1)CNCCc1c[nH]c2c1cccc2	27.46
CCN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1	4.3
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1cccs1	30
COC(=O)c1cc(on1)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1	16.8
Nc1cccnc1[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	44
CCN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1	23
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)N3CCCCC3C(=O)N3CCCC3)CC2)c1	10
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1C)C(O)=O	7.1
OCc1ccc(cn1)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)OCC(F)(F)F	10
CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1	0
Clc1ccc(c(c1)Cl)CNc1nc(nc2c1cccn2)N1CCN(CC1)C(=O)C1CCCCN1	30
CSc1ccc(Cc2cc3c(=O)n([C@H]4CCCC[C@@H]4O)cnc3c3ccccc23)cn1	7.5
Oc1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)NCc1ccccc1	30
O=C(Nc1ccccc1)CN1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N	0.72
N[C@@H](CC(=O)N1[C@@H](C[C@@H]2CCC[C@H]12)C#N)Cc1cc(F)c(F)cc1F	47.65
CC(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1	25
C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)NC(C)=O	100
FC(F)(F)c1ccccc1NCC(=O)N1CCCN(Cc2nc3ccccc3[nH]2)CC1	1.3
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2C)C(F)(F)F)n1C	0.3981
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)C(C)(C)C	1.58
Clc1ccc2c(c1NC1=NCCN1)nsn2	100
COCc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1	0
Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)CC3CCCO3)CC2)n1	15
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(CC2CC2)c(=O)o1	5.5
O=C(c1ccc(F)cc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1.O=CO	50.1187
CCCCOc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1	3.18
Cl.C(Oc1cccnc1)[C@H]1CNCCN1c1nc2ncccc2o1	72
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cc(ccn1)C(O)=O	19.56
N#CN=C(NN1CCC(CC1)CNc1ncccn1)NCc1ccccc1	10
Cc1nn(CCOCC(F)(F)F)c2c(Nc3cccc(C)n3)nc(nc12)N1CCNCC1	0.56
Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1C	1.3
O=S(=O)(c1ccccc1)Nc1ccc2c(c1)[nH]c(n2)Cc1ccc(cc1)Oc1ccccc1	0.68
N#Cc1ccc(cc1)Cn1cncc1CN(C1CCN(C1=O)Cc1cccc(c1)Cl)CCN1CCNCC1	1.1
Clc1c(cccc1Cl)CN(c1ccccc1)CC1CNC1	1.88
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(c1)S(C)(=O)=O	10
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CCNC(=O)c1cccc(Cl)c1	0.056
Clc1ccc(cc1Cl)N1CCN(CCN2Cc3ccccc3C2)C1=O	1
CCOc1nc(NC(=O)C2(CCC2)NC(=O)c2ccc3c(C4CCCC4)c(-c4ccc(F)cn4)n(C)c3c2)ccc1\C=C\C(O)=O	2.1
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C4CC(c5cc(F)ccc5F)C4)C[C@@H]3C(=O)O)c2n1	45
Clc1ccc2[nH0](cc(c2c1)C1CC[N+](CC1)CCN1CCNC1=O)c1ccc(F)cc1	0.0126
CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1	105
Brc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N	0.56
COC(=O)C1CC1COc1ccc2c(n1)c(CCC13CCC(CC1)(CO3)NCc1ccc3c(n1)NC(=O)CO3)c(cn2)F	0.6
O=C(NC1CCN(C1)C1CCC(CC1)(O)c1ccncn1)CNC(=O)c1cccc(c1)C(F)(F)F	30
O=C1CCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21	6.5
CC(C)c1nc(C)nn1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1	4.2
N#Cc1cnccc1COc1cnc(N2CCN(c3nc(C(F)(F)F)no3)CC2)nc1	6.3096
COc1ccc2c(c1)CN(C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)CCS2	2.496
COc1ccc(NC(=O)c2ccc(CS(C)=O)c3ccccc23)c(n1)C(=O)NCC1CCOCC1	32
NC1CCN(CC1)c1nc(N)nc2cc(sc12)-c1ccc(cc1)C(F)(F)F	6.1
NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N	26
CS(=O)(=O)c1ccc(cc1Cl)[C@@H](CC1CCCC1)C(=O)Nc1cnc(cn1)[C@H](O)CO	70
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCN3CCC2CC3)o1	12.5892
CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(cc1)-c1cccs1	63
O=C1CSc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	25.7
CS(=O)(=O)Nc(cc1)ccc1C(=O)[C@H]2CC[N@@H+](CC2)CCc3cccc(n3)C	0.012
ONC(=O)C=Cc1ccc(cc1)CNCCc1c([nH]c2c1cccc2)c1cnccc1OC	8.48
COCCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1cccc(c1Cl)Cl)C(=O)N	7.6
FC(F)Oc1ccc(cc1OC(C)C)[C@H](C=1C=C[C@@H](NC=1)C(O)(C)C)c1ccc[n+]([O-])c1	42.2
Cc1oc(nc1C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)-c1ccccc1	3
COc1nn(C2CCN(C(C)=O)CC2)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1	10
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccccc1F	43
OC(=O)c1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	23
OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1	0.16
Clc1ccc(cc1Cl)[C@H]1CNCC=CC1	12.35
Cl.Cl.FCCOc1ccccc1CCN1CCN(CCc2ccccc2Cl)CC1	0.85
CCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1	0.001
O=C1OCc2cc(CCN3CCN(CCc4ccc5nonc5c4)CC3)ccc12	0.28
COCCOc1cc2nc(nc(c2cc1OC)N[C@@H]1CNCC1)c1cc(F)ccc1O	44
Cc1c(C(O)CN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)ccc2c1COC2=O	100
C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)C=C(CF)OC(N)=N1	2
CC(C)(C)NC(=O)NCCN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1	1.6
COc1ccc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)nc1C(C)C	15.8
Fc1cc(OCCC2CC2C2CCN(CC2)c2ncc(Cl)cn2)ccc1C(=O)NC1CC1	2.6
COC1COCCC1N[C@@H]1C[C@H]2CC(F)(F)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
CCC[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1	61
O(C)c1cc(ccc1O)CNC(=O)CCCC\C=C\C(C)C	17.45
N#Cc1cnc(s1)Nc1nccc(c1)CN1CCC(CC1)S(=O)(=O)C	10
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(N)(=O)=O)ccc1OC	3.5
CC1(C)C[C@@H](NC(=O)c2cccc3[nH]ncc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl	30
C[C@@]1(c2cc(CNCC(F)(F)F)c(F)cc2F)CCSC(N)=N1	6.1
CCn1n2c(nnc2cc(-c2cc(ccc2C)C(=O)NC2CC2)c1=O)-c1c(F)cccc1Cl	30
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(Cc2ccccc2)CC(F)(F)F)nn1	2.87
O1[C@@H](C[C@@H](O)CC1=O)CC[C@H]1[C@@H]2C(=C[C@@H](C[C@H]2OC(=O)[C@@H](CC)C)C)C=C[C@H]1C	12.5
COc1nccnc1CC1=C(CCN(C)C)Cc2ccccc12	7.6
CC(C)(C#N)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)(C)C#N)c1	7.1
Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1	3.4667
O=C(NC1CN(C1)C1CCC(CC1)c1ncccc1N)CNC(=O)c1cccc(c1)C(F)(F)F	44
OC(=O)C1=CCCNC1	1.5136
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1	30
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C/CCN4CCN(C)CC4)\c2c1	4.3652
CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c3ccccc3	3.0903
CN1CCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@H]1C5=O)c4c3)c2	4.9
CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1Oc1ccccc1	1.08
CCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1	1.4
CNC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1F	19
CCOC(=O)c1cncn1[C@@H](C)c2ccccc2	11.4815
COCCCN1CCC(c2nnc(-c3cccc4cc(C(C)C)nn34)o2)CC1	2.3
COc1ccc(c(c1)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1nc(C)cc(C)n1)-n1nccn1	8.1
O=C1Nc2ncccc2C2(O1)CCN(CC2)C(=O)N[C@@H]1CC[C@H](Cn2c1ncc2C(O)(C)C)c1cccc(c1F)F	20
COc1ccc2ncc(C#N)c(CCN3CCC(CC3)NCc3cc4SCOc4cn3)c2c1	1.25
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cnccn1	27
COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1OC	5
COc1ccc(cc1)C1CN(CC1CNC(=O)c1cccc(c1)Cl)CCCc1ccc(c(c1)OC)OC	0.2
N#Cc1ccc2c(c1)n(CCN1CC[C@@H]([C@H](C1)F)NCc1ccc3c(n1)NC(=O)CO3)c(=O)cc2	168
CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1	0.182
Fc1ccc(c(c1)F)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OC1CCN(CC1)C1CCC1	63
CCN(CCOc1ccc(cc1)/C(=C(\c1ccccc1)/Cl)/c1ccccc1)CC	0.18
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCCC2)c2ccccc2)C(C)(C)C1	9
c1ccc(cc1)OCC#Cc1scc(c1)c1n[nH]c2c1Cc1c2ccc(c1)n1cccn1	10
COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1	1.89
OCC(O)CN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1	81
Nc1ncnc2c1c(-c1cccc(O)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1	0.42
COc1ccc2c(n1)c(ccn2)NC(=O)[C@@H]1CC[C@H](CO1)NCc1ccc2c(n1)NC(=O)CS2	0.5
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2csc3ccccc23)nn1	2.1
C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1	30
Nc1ccnc(c1)N1CCC(CC1)n1c(=O)n(c2c1nccc2)c1ccccc1	0.054
COC(c1cnc2n1C[C@@H](CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1c2cccn1)c1cccc(c1F)F)(C)C	7.68
COc1ccc(cn1)-c1cc(on1)-c1ccc2C(=O)N(Cc2c1)C(C)C	12
Cc1ccnc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c1	30
CCN(CC)CCN1CCN(C1=O)c1cccc(Cl)c1	3.16
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N2C(=O)CC[C@@H]2CN2CCN(C)CC2)cc1)c1ccccc1	0.0014
CCOC(=O)N1CCC(CN2CCC3(CC2)OC(=O)Nc2ncccc23)CC1	0.92
O=C(C(n1c(nc2c1cc(F)c(c2)F)c1ccc(cc1)Cl)C1CCCCC1)NC1CCCCC1	1.4
Cc1ccc(-c2ncc(OC[C@@H]3CCNC3)cc2-c2ccc(C#N)cc2)cc1	3.2
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1C#N	10
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc3c(N)noc3c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1	0.69
Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1	5.1
CS(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1	30
Fc1ccc(cc1)Cn1c2c(nc1NC1CC[NH+](CC1)CCc1ccc(OC)cc1)cccc2	0.0115
CC(=O)Nc1nc(C)c(-c2cc3c(c(S(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1	31.6228
O[C@@]1(CC23CCC(CC2)(CO3)NC\C(F)=C/c2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O	0
Nc1nc(N2CCC(N(Cc3ccccc3)[C@H](CO)Cc3ccc(Cl)cc3)CC2)n[nH]1	2.9
CC(C)N1CCCC1CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1	17
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1	12.4
FC(F)Oc1ccc(cc1OC(C)(C)C)[C@H](C1=CNC(C=C1)C(O)(C)C)c1cc[nH0+]([O-])cc1	25
O=C(c1ccc(nc1)OCC(F)(F)F)NC1COc2c(C1)c(ccc2)c1ccncc1	6.3
COCCN1CCN(c2cc3c(Nc4ccc(C)cc4F)c(C(N)=O)nnc3cc2OC)CC1	23
O[C@@]1(CC23CCC(CC2)(CO3)NCc2nc3NC(=O)COc3cc2OC(=O)c2ccccc2)Cn2c3c1c(F)cnc3ccc2=O	30.5
S(C)c1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2n(cnc2)Cc2ccc(cc2)C#N)C1=O	7.8
[NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(O)=O)Cc1ccc(F)c(F)c1	79
COc1ccc(Oc2nc(Nc3ccc(N4CCOCC4)nc3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1	17.1
COc1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1	8.6
O=C(N1CCCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12	10.566
CC(=O)Nc1cc(Nc2cc(NC3CCC3)n3ncc(C#N)c3n2)c(F)cc1C	16
C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C	17
O=C1c2c3CCCC(c3ccc2c2c(C1=O)c(C)co2)(C)C	100
Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1	4.3
COC1COCCC1N[C@@H]1C[C@H]2CCCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	40.9
COc1cccc(CN2CCC(CNC(=O)c3cc(OC)cc(OC)c3)(CC2)C#N)c1	1.5
OC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1	30
C1CCC(CC1)C1NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)c1ccccc1	0.077
COCC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(C)cn1	79.4328
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCNC2=O)c2ccccc2)C(C)(C)C1	10
Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCCC1)c1cccs1	1.52
CN(CCN1CCN(C1=O)c1cccc(Cl)c1)Cc1cc(C)no1	50.1
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(CC(N)=O)cc1	7.5858
OC(=O)c1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	10
CCC(c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C12CNCC2C1)(C)C	1.3
CN1CCC[C@@H](CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2	0.1
NC1Cn2c(CC1c1cc(F)c(cc1F)F)nc1c2cccn1	90
COc1ccc(cc1)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1cccc2c1ccc(n2)C	0.63
NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCCCCc2ccccc2)c1	10
Cc1cc(-c2nc3c4CCN(CCCSc5nnc(-c6ocnc6C)n5C)CCc4ccc3o2)n(C)n1	0.79
CN(C)CCCCc1ccc(cc1)C1(C)COC1	35
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2ccccc2)c1	16.66
Fc1ccc(cc1)CCN1CC(=O)N(CC1)[C@H]1CCc2cc(ccc2C1)CN([C@@H](C(=O)N(C)C)CO)C	25
OCC(CO)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	10.5
Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)C3COC3)CC2)n1	4.4
CN(C)CCC1=C(Cc2cnccn2)c2ccc(Cl)cc2C1	0.1
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4cc3C)c2n1	2.65
CN(C)c1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F	12
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(CC(F)(F)F)c2ccc3OC(F)(F)Oc3c2)nn1	1.9
Clc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1	2
N#Cc1ccnc(c1)C1=NC(C(N1)C)(c1ccc(cc1)F)c1ccc(cc1)F	1.73
C[C@@H]1C[C@@](C)(c2cc(CNC3(C(F)(F)F)CC3)c(F)cc2F)N=C(N)S1	2.6
Cc1cc(cn(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1	33
CCC1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F	1.2
FC(F)Oc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1	4.2
Clc1ccc2c(c1)N1N=C(C(C1CO2)(CCCN1CCN(CC1)C(=O)C)c1ccccc1)C(=O)C	5.6
O=C(C(C[C@H]([NH+](C)C)C)(c1ccccc1)c1ccccc1)CC	9.77
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OC(F)F)c1	2.8
O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCCC1	2.9
CC(C)c1noc(n1)N1CCN([C@H](C)C1)c1ncc(OCc2ccc(cc2F)S(C)(=O)=O)cn1	7.4
CCOC(=O)C1=C(CN2CCOCC2)NC(c2nncs2)=NC1c1ccc(F)cc1Br	3.49
OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)c1ccccc1	24000
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccc5cccnc5c4)c3c2)CC1	75.8
O1[C@H](CC)[C@](O)(C)[C@H](O)[C@@H](C)C(=O)[C@@H](C[C@](O)(C)[C@H](O[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2O)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@](O)(C2)C)[C@@H](C)C1=O)C	147.1
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(C)cc(C)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	4
C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccn1	0.2
FC1CN2C(C1)CNc1cc(n3c(CCC2)c(C)c2c3CC(CC2=O)(C)C)ccc1C(=O)N	16.4
O=C1CCc2cccnc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O	6.3
CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1	2
OCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1	30
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccc1-c1nnn[nH]1	512861.384
CN1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N	30
FC(F)(F)Oc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	1.4
Cn1c(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)nnc1-c1cncnc1	0.1585
Cn1c([S+](C)[O-])nc(-c2ccc(F)cc2)c1-c1ccnc(N)c1	83
CCCCNCC(c1cc(Cl)cc2c1c1ccc(cc1/C/2=C/c1ccc(cc1)Cl)Cl)O	5.5
CC(N1CCN(CC1)Cc1cnc(c(c1)C)c1ccc(cc1)C(=O)Nc1ccccc1N)C	25
CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=NC1c1ccc(F)cc1Br	0.86
CCCCc1cc(OC2CCN(CCCS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl	0.0759
CCc1nc(N2CCC(CC2)CCNS(=O)(=O)N)c2c(n1)cc(c(c2)OC)OC	0.0174
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(OC(F)(F)F)c2)C1=O	80
O[C@@]1(CC23CCC(CC2)(CO3)NC\C(F)=C\c2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O	0
CC(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1	0.5
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCN2CC(C2)C#N)c2ccc(OC(F)F)cc12	0.4
FC(F)(F)c1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1	6.3
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCc1c[nH]c2ccccc12	14
COc1ncccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	0.6026
Clc1cccc(c1)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C	1.58
NC(=O)c1ccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)cc1	1.3
N[C@@H]1CCCC[C@H]1Nc1nc(Nc2cccc3c2[nH]cc3Cl)c2c(c1)nc[nH]c2=O	20
O=C(NC1CCN(C1)CCC1CCN(CC1)C(=O)c1ccccc1)CNC(=O)c1cccc(c1)C(F)(F)F	10
Cn1nccc1CCOc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1	17.7828
O1[C@H](C)[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@]2(OC2)C[C@@H](C)[C@@H](O[C@H]2O[C@@H](C[C@@H]([NH+](C)C)[C@@H]2O)C)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](OC)C2)[C@H](C)C1=O	308.9999
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2ccc(OC)cc2)CC1	0.48
CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2Cl)c1	100
COCC1=Nc2cc(nn2[C@@H](C1C(=O)N1CCC[C@H]1c1cc(C)no1)c1cc2ccccc2n1C)C(F)(F)F	10
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F	17.3
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F	8
O=C(C1CC1c1ccc(cc1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)c1cn[nH]c1	0.5
COc1cc(ccc1C#N)C(O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1	3.4
O=C(NC1CN(C1)C1CCC(CC1)(O)c1cnc(s1)C(C)C)CNc1ncnc2c1cc(cc2)C(F)(F)F	37.5
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@](O)(CCCCOC)c1cccc(Cl)c1	30
CCCCc1cc(OC2CCN(CCCS(=O)(=O)C(C)C)CC2)c2ncccc2c1.Cl.Cl	0.0912
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2cnc(S(C)(=O)=O)cn2)C3)ccc2c1COC2=O	22.7
C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F	10
O=C(c1cc(F)cc(F)c1)N1CCN(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)C(=O)C1.O=CO	7.9433
COc1ccc(cc1CNCCO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1	27.5
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCCC2Cc2cccnc2)c1	1.7
CN1CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2F)CC1	33
Clc1ccc(cc1)c1cc2C(NC(=O)c3n[nH]c4c3CCC4)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	30
CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2	8.5114
Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1	10
Fc1ccc(cc1)Oc1cnc2c(c1)c(=O)n(c(n2)C)CC1CCCN(C1)C(C)C	3.1
Cc1c2CCCN3CCOC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12	12.5
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C(F)(F)F)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	1.2
C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3ccnn3)ccc-21	10
Fc1ccc(cc1)[C@]1(N=C(N[C@H]1C)c1cncc(=O)[nH]1)c1ccc(nc1)F	10
C[C@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	12
CCCOC(C1CNC1)c1ccc(Cl)c(Cl)c1	2.2
Cc1nc2cc3CCN(CCCSc4nnc(C5CCOCC5)n4C)CCc3cc2o1	63
CN(C1CCC2(C1)Cc1ccccc1Cc1c2cccc1)C	7.94
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCOCC1)c1ccc(Cl)cc1	74.8
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCSc3cn2)Cn2c3c1c(F)cnc3ccc2=O	60
C[C@@H](CO)OC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(C#N)cn1	63.0957
C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1nnc(o1)-c1cccc(Cl)c1	21.5
Cc1cc(n[nH]1)C(O)=O	10
CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F	3000
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnn(C)c4)nn3c(N)nc12	60
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl	2.4
Cc1[nH]c2ccccc2c1CCN1CCc2cc(\C=C\C(=O)NO)ccc2C1	14.8
CN(Cc1ccc(c(c1)C)C(=O)Cn1ncc(cc1=O)OCc1ccccc1)C	7
CC(CN(C(=O)c1cccc(c1C(F)(F)F)F)C1CNCC1)C	10
COC(=O)c1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1	0.7943
Fc1cccc(c1)N(C1CCN(CCC2(CCN(CC2)C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c2)CC1)C(=O)NCc1ccc(cc1)C#N	1
CCN([C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(OC)cc1	0.2
COC(=O)C1C(C(C(=O)OC(C)C)=C(C)N=C1C)c1cccc2NONc12	50.1
Fc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1ccc(cc1)C(=O)C	20.3
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCCCN2CCCCC2)cc1	100
CO[C@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@H]1N(C)C(=O)Cc1ccc(cc1)-n1cnnn1	1.2
O=C1[C@H]2CCN1Cc1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1	4.7
COc1ccc2c(n1)N(CCN1CCC(CC1)NCc1ccc3c(n1)NC(=O)CO3)C(=O)CO2	13
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	15.4882
O[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1ccc2OCC(=O)Nc2n1	305
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(C)cc2F)n1C	15.7
CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2F)cc1)C(O)=O	76
CCOC(=O)N1CCC(CN2CCC3(CC2)OC(=O)N(C)c2ncccc23)CC1	1.48
OC(COc1ccc(cc1)NS(=O)(=O)C)CNCCc1ccc(c(c1)Cl)Cl	0.73
O=C1S/C(=C\c2ccc(Oc3ccc(Br)cc3)cc2)C(=O)N1c1ccc(OCCCCN2CCN(CC3CC3)CC2)cc1	27.5
Clc1ccc(c(c1)F)Oc1ccc2c(n1)c(=O)n(c(n2)C)CC1CCCN(C1)C(C)C	1.3
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C(C)C)c(=O)o1	7.7
O=C(OC1C[C@@H]2CC3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12	12
CC1(C)CC2(CCN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)CC2)C(=O)O1	31
Cn1c(SCCCN2CC3CCN(c4cccc(OC(F)(F)F)c4)C3C2)nnc1-c1cnccn1	0.1259
CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccc(COC)nc3)cc12	2.5
C(C1CCCCN1)N1CCN(C1)c1ccccc1	15.8
CN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CNCCN3C)n2)cn1	15.8489
CC(C)(C)c1ccc2n(ccc2c1)-c1ccc(F)cc1	10
Nc1nc2cc3CCN(Cc4cnco4)CCc3cc2s1	33
COc1ccc(/C=C/C(=O)N2CCN(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cc1	25.1
O=c1c2CN(C(c2[nH]c2c1cccc2)c1ccc2c(c1)CCO2)c1ncc(cn1)c1ccccn1	7.48
OC[C@H]1OC(O)[C@H](O)[C@@H]1O	6.4565
COc1cccc(COC(=O)c2c(-c3ccc(OC)c(OC)c3)csc2N)c1	1
FC(F)(F)Oc1ccc(CNC(=O)C2N(C[C@@H]3CCCO3)C(=O)c3ccccc23)cc1	17
N#Cc1ccc(cc1)N1N=C(CC1c1ccc(cc1)c1ccc(cc1)C(=O)O)F	30
COc1ccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c2c1	3.8
CN(C)c1cncc(-c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2)n1	43.2
CN(C)CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1	33.3
Clc1ccc2[nH]c3[C@@H](CCCc3c2c1)NC(=O)c1ccccn1	20
C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ccccc2)CO1	85.7
COc1nc(C2=NOC[C@H](c3cc4ccccc4o3)N2)ccc1-n1cnc(C)c1	15
COc1nsc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)n1	10.3
NC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1	3.7
COc1cc(cc(OC)c1OC)C(=O)NCC1CCN(CCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1	0.1
CNC(=O)c1ccc(COc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1	100
CCN(CC)c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F	14
Clc1ccc(cc1Cl)-n1cc(NCCN2CCCCC2)nn1	1.7
O=c1c(F)cc2ncc(F)c3c2n1C[C@@]3(O)CN1CCC(NCc2cc3c(cn2)OCCO3)CC1	289
C[C@@H]1C[C@H](N)CN(c2ccncc2Nc2ncc3ccc(-c4ncccc4F)nn23)C1	1.2
CCc1c(CNC2CCC(C2)F)nc(n1c1ccc(nc1)C)c1ncccc1Cl	15
O=C1CN(CCN1c1ccc(cc1)OC1CCN(CC1)C1CCC1)C(=O)c1ccc(cc1)S(=O)(=O)C	63
CN(C)CCN1c2ccccc2C(=NC(NC(=O)CCc2ccc(Cl)cc2Cl)C1=O)c1ccccc1	0.1
CC(C)Cc1cc(CNC(=O)C2C3CN(C(=O)c4ccccc4)CC32)nn1-c1ccccc1	15
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO	20
CCCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOC1	13
Nc1ncnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1	1.5
CC(=O)NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2	1.2
CC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	0.46
CCc1c(C2CCN(CC2)CCCSc2ccc(cc2)F)c2c(n1Cc1ccc(cn1)C(=O)O)cc(cc2)F	10
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F	0.4
OCc1ccc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccccc3)C(O)=O)CC2)cc1Cl	758577.575
NC(=O)c1cnc(O[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12	3.8
CC(c1noc(c1)CNCCN1CCC(CC1)c1ccc(c(c1)Cl)Cl)C	1.18
CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)c3nn(C)c4ccccc34	15.8489
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1cc(OCC)c(CC)cn1	30
CC(C)N1Cc2cc(ccc2C1=O)-c1cc(no1)-c1ccc(Cl)nc1	40
CCCC1NC(C)C2N1N=C(NC2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1	12.8825
CC(C)(C)NC(=O)NCCN1CCCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1	5.3
OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1	30
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4c(C)c3C(C)C)c2n1	1.2
Clc1ccc(cc1)Cc1nn(C[C@@H]2CCCN2CCCCc2ccc(cc2)OCCCN2CCCCCC2)c(=O)c2c1cncc2	0.16
Cn1cc(cn1)-c1cnc2ccc3ccc(NS(=O)(=O)N4CC(F)C4)cc3c(=O)c2c1	30
Cc1nsc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)n1	14.5
COc1ccc2cccc(Oc3ccc4nc(C)n(C[C@H]5CCCN(C5)C(C)C)c(=O)c4n3)c2n1	13.5
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)Cc1ccccc1	30
Cc1cc(CN2CCN(CC2)c2c(Cl)cnc3nc([nH]c23)-c2cn(C)nc2C2CC2)no1	2.5
Nc1nc2ccc(Cl)cc2n1CC(O)c1cccc(Cl)c1Cl	33.3
O=C1NN=C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)[C@H]2C[C@@H]12	14
CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1ccc(c(c1)Cl)F)C(=O)N	6.1
CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC	5.4
CC(=O)NCCc1ccccc1c1ccc(c(c1)C)[C@H]1CNCC[C@@]21OC(=O)c1c2cc(F)c(c1)F	12.9
COc1cnc2ccc(=O)n(CCN3CC[C@@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](F)C3)c2c1	100
CC1(C)Oc2ccc(NC(=O)c3ncc(Cl)cc3F)cc2C2(COC(N)=N2)C11COC1	10
Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O	792.75
O=C(c1cnc2c(n1)cccc2)N1C[C@H]([C@H](C1)N)C(=O)N1CCCC1	300
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1	25.1
OCCN(CCN1CCCc2c1ccc(c2)NC(=N)c1cccs1)C	5.8
Cc1cnc(Nc2ccnn2C)nc1-c1cn2c(n1)C(=O)N(Cc1ccc(F)c(F)c1)[C@@H](C)C2	23
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)c(F)c1	0
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1	11
NC(=O)C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1	10
NC1=NC2(CO1)c1cc(Br)ccc1OCC21CC(F)(F)C1	10
COc1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)cc1	3.3
CN(C)CCO[C@@H](c1ccccc1)c1ccccc1C	0.8511
Cc1cc(F)cnc1C(=O)Nc1csc([C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)n1	17.9
Clc1cc(COCC2(CCNCC2)c2ccccc2)cc(Cl)n1	33
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(O)=O	6.4
Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCN(C)CC3)cc2)cc1.Cl.Cl	18.9
Cl.O=S(=O)(/C=C/c1ncccc1F)c1ccc(OCCCN2CCOCC2)cc1	112.1
COc1cccc(-n2cc3nc(CC(C)C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1	3.2
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12	3.8
O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2scnc21	6.1
c1ccc(cn1)c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)CC1CCCO1	6.7
Clc1cccc(c1)N1CCN(CC1)CCCCNC(=O)c1ncc2c(c1)cccc2	0.3
CNC(=O)c1nnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc2c1N[C@@H](C)C1CCOCC1	15
N#Cc1cccc(c1)N1CCN(CC1)CCCCNC(=O)c1cc2c(o1)cccc2	0.39
CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2Cl)C1	9.9
CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C(C)C)Nc1cccc(c1Cl)Cl)C(=O)N	7.6
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5ccccc5F)C4)C[C@@H]3C(=O)O)c2c1	12.2
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(C)(C)C	66.9
Cc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)cc1	6.3
CC(=O)O[C@]1(CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@]12C)C#C	17.378
CN(c1ccc(-c2ccc(-n3ccc(N)n3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1	16
COc1ncccc1-c1ccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@]3(CC(N)=O)CC(F)(F)[C@H]2C)nc1	25.9
Nc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1	1.492
CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3Cc4ccccc4C3)C[C@H]21	0.326
Cc1ccc(CN2CC[C@@H](N3CC[C@H](c4ccc(O)cc4)[C@H](F)C3)C2=O)cc1	7.8
CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F	8.6
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(Br)cc2C1	20.3
NC1=NC(N=C1C)(Cc1ccccc1)c1cccc(c1)c1cncnc1	33
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1cc(ncn1)C(F)(F)F	21
COC(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	8
Cc1cccc(Nc2nc(N[C@H]3CCCNC3)ncc2C(N)=O)c1	1.5849
CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	13
Clc1ccc(cc1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.04
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCNCC)cccc2	0.38
COc1ccc(cc1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1	20.75
C(C(N1CCNCC1)c1ccccc1)c1ccccc1OC1CC1	6.4
CCc1csc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N	100
Clc1ccc(Cl)c(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1	0.3981
O=C(c1cccc(c1Cl)Cl)N(C1CNCC1)CC(C)(C)C	16.8
Fc1ccc(CN2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1	29.5
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCNCC2)cc1	24
C[C@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cccnc1F	10
OCC(=O)NC1CC(C)(C)N(c2c1cc(c1ccc(cc1)Cl)c(n2)c1ccc(cc1Cl)Cl)C	0.04
Clc1ccc(c(c1)F)Oc1cnc2c(n1)c(=O)n(c(n2)C)CC1CCCN(C1)C(C)C	33
C[S+]([O-])c1ccc(-c2cnc3ccc(NC4CCS(=O)(=O)CC4)nn23)cc1	28.8
CC(C)OC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccc(Cl)cn1	15.8489
ONC(=O)/C=C/c1ccc(cc1)CN(CCC(F)(F)F)CCc1c[nH]c2c1cccc2	50
O=C(Oc1cccc(c1)c1sccc1C(=O)N)NCCCCCCc1ccccc1	10
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1Cc1nc2ccc(Cl)cc2[nH]1	0
CSc1ccccc1C(=O)N([C@H]1CCNC1)c1ccccc1	20
O([C@]([C@@H](C[NH2+]C)C)(Cc1ccccc1)c1ccccc1)C(=O)CC	3.63
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl	3.5
CCN1CCN(CC1)c1cc2[nH]c(S[C@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl	1.5
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cccc(F)c1	70
COc1ccc(cc1)C1(N=C(N)C(=N1)C(C)C)c1cccc(c1)-c1cncnc1	26.8
O=C(CN1[C@@H](OC2(C1=O)CCCC2)c1cc(F)cc(c1)F)Nc1ccc2c(c1)C[C@]1(C2)C(=O)NC(=O)N1C	60
CO[C@@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	17.6
COCCN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)ccnc2	1.26
COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c2n1	13
COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1	16
O=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1	10.5
O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)cccc2)NCCc1ccccn1	30
Fc1ccc(cc1)C1(NC(=NC1C)c1ccc(=O)n(c1)C(F)F)c1ccc(nc1)F	10
CCN(CC)CCOC(=O)C1(CCCC1)c2ccc(cc2)[N+](=O)[O-]	3.5481
NS(=O)(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1	0.8
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC	10
O[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1	117
CC(C)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	3.5
COc1ccc(cc1)-n1c(C)nnc1SCc1nc(no1)-c1ccc(OC)c(OC)c1	30
Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1	12.7
Fc1cccc(c1)C1CCN(CC1)C1CCC(C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.045
OCC(F)(F)c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F	2.5
NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1	8.85
O=C(N1CCn2c([C@H]1c1ccccc1)ccc2)NC1CCN(CC1)Cc1ccn(c1)c1ccc(cc1)C(F)(F)F	1.3
CC1COc2cc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)ncc2O1	60
O=c1[nH]cc(cc1N)c1ccncc1	100
Fc1ccc(cc1)[C@@H](NC(=O)c1cc[n+](cc1)[O-])CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1ccc(c2)F	0.327
CCCOCCn1c2cc(ncc2nc(N2CCN(CCO)CC2)c1=O)-c1ccc(OC)nc1	1.79
COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(c4)C(C)C)cc3)c2cc1OC	137
CCC(NCCCC[C@@H](Cc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1	13.3
NC(=O)c1ccc(cc1)C1(CC1)CN1CCN(C(C1)C)S(=O)(=O)c1ccc(cc1)C(C(F)(F)F)(O)C	6.4
CCOc1ccc(cc1)CCN1C(CN(C1=O)NS(=O)(=O)C)c1ccc(cc1)OC	12.2
OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1	4.3
Oc1cc(Cl)ccc1CNC(=O)C1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	1.55
Cn1c(nc2c(cccc2c1=O)C(F)(F)F)-c1ccc(OC2CCN(CC2)C2CCC2)cc1	0.3
CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F	2.7
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)C(F)(F)F)c1cncs1	36.1
NCc1c(C)nc2c(c1c1ccc(cc1Cl)Cl)CN(C2=O)CC(=O)Nc1ccnn1C	80
COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1OC)C(=O)Nc1ccc(C)cn1	33
Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)CC(=O)O)CC2)n1	8
Fc1ncccc1-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	2.6582
OC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)-c1ccc(nc1)C#N	18.35
N#Cc1ccc(cc1)c1ccc(cc1)[C@H]1COC[C@@H]1NS(=O)(=O)C(C)C	12.6
NC1=NC(c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21	4.8
COc1ccc(cc1)C1CN(CC1CC(=O)Nc1cccc(c1)Cl)CCC1(O)CCOCC1	8.24
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc2cccc(c2)C(F)(F)F)CC1	2.8
C[C@@H](Nc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12)c1ccn(C)n1	2.8
CCCCOc1ccc(OCCCN2CCOCC2)cc1	10
CN(C1CCN(Cc2nc3CCCCc3s2)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1	7.6
COc1ncc(cn1)-c1cccc(C)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1	6.3
Cn1c(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)nnc1-c1ccccc1	0.25
CN(CCC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)C(=O)c1c[nH]c(=O)o1	7.3
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(CN2CCOCC2)c2ccccc2)c1	6.9
CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12	6.7
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc2nc3ccccc3n2c1C	1.7
COC(=O)C1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1	1.6
COC1CCN(Cc2cc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)n2)CC1	6.31
CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=NC1c1ccc(Cl)cc1Cl	0.3
FC(F)(F)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1	20
Cc1cc(on1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F	1.6
COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC.Cl	7
O=C(c1ccc(cc1)C(=O)N1CCC1)N1CCN(C(=O)C1)c1ccc(cc1)OCCCN1CCCCC1	63
O=C(N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ccncc1)CNC(=O)c1cccc(c1)C(F)(F)F	13
CN(C)CCC(c1ccc(Br)cc1)c1ccccn1	0.8912
OC(CN1CCN(CC1)Cc1ccc(cc1)Cl)COc1ccc(cc1)Cl	0.28
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCC)cccc2	100
Clc1ccc(c(c1)Cl)[C@]1(OC[C@@H](O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1	1.9
Cn1cnc(-c2cnc(O[C@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C[C@@H]3F)c(C(N)=O)c2)c1	24
COCCN1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1	7.9433
CCN(CC)C(=O)c1ccc(cc1)[C@H]1CC2(CCNCC2)Oc2ccccc12	2.5
Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)nc2c1COC2	0.83
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ncccn1	23
N#Cc1cc(C(C)C)c2c(c1)nc(o2)c1ccc(cc1)C(=O)NCC1CCC(CC1)c1cccc(c1)C	11.3
c1ccc(-c2ccc(-c3c[nH]c([C@H]4Cc5c([nH]c6ccccc56)[C@@H](C5CCOCC5)N4)n3)cc2)cc1	0.017
O=C(N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1cccnc1)CNC(=O)c1cccc(c1)C(F)(F)F	30
COc1cncc(c1)-c1ccc2O[C@H](C)C3(COC3)[C@]3(COC(N)=N3)c2c1	10
CNCCN1CCCc2c1ccc(c2)NC(=N)c1cccs1	30
COc1cc(ccc1N)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	0.2512
CCN1CC2[C@@](C1)(CCCC2)c1ccc(c(c1)Cl)Cl	4.33
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccccc2)n1C	2.6
Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1	2.9
CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Br)ncc2n1C	31.2
CN1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1C(C)(C)C	7.2
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(Cl)c(C)cc4[nH]3)c2c1	1.4
CN(C1CCN(CCF)CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F	13.8
Cn1c(SCCCN2CC3CCN(c4ccccc4OC(F)(F)F)C3C2)nnc1-c1cnccn1	0.63
COCCN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O	80
OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1	10
Cl.Cl.FCCOc1ccc(CCN2CCN(CCc3ccccc3Cl)CC2)cc1	1.4
O=C(/C=C/c1ccc(c(c1)O)O)OCCc1ccccc1	10
Cc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1	10
NCc1c(C)nc2c(c1c1ccc(cc1Cl)Cl)CN(C2=O)CC(=O)N1CCCC1	80
COc1ccc2c(n1)c(ccn2)NC(=O)C1(O)CCC(CC1)NCc1ccc2c(c1)OCCO2	25
CC(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1	19
Fc1ccccc1C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1	10
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)NC1CCS(=O)(=O)CC1	50
CC1(O)CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1	33
COc1ccc(OC)c(Cc2nc3ccccc3n2CC(=O)Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1	0.02
CCCOCCn1c2cc(ncc2nc(N2CCN(CC)CC2)c1=O)-c1ccc(OC)nc1	0.3
C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl	1.6
COc1ccc(cc1CO)c1ccc2c(n1)nc(nc2N1CCOC[C@H]1C)N1CC[C@H](C1)O	8
CC1(CC(=O)c2ccccc2C1=O)S(=O)(=O)[O-]	9.3325
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccc(NC(C)=O)c1	12.6
Cc1ccc(cc1)C1CC2CCC(C1)N2CCCSc1nnc(n1C)c1ocnc1C	1
CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12	141
Clc1cc2cc(oc2cc1)C(=O)N(CCCN1c2c(CCc3c1cccc3)cccc2)C	20.03
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@H](COCC=C)CC2)c2cc(ccc12)C(F)(F)F	5
O=C(c1ccccc1C(F)(F)F)N(C1CNCC1)CC1CCC1	20
O=C(NC1CN(C1)C1CCC(CC1)c1ccccc1)CNC(=O)c1cccc(c1)C(F)(F)F	1
CSc1ccccc1C(=O)N(C1CCNC1)C1CCCCC1	2.27
FC(F)(F)c1cc(CO[C@@H]2CCCN[C@@H]2c3ccccc3)cc(c1)C(F)(F)F	12.8825
Fc1ccc(cc1)[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)C)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2	0.855
CC(O)(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1	0.5
NC(CO)(CO)COC(=O)C1CCn2c1ccc2C(=O)c3ccccc3	20.893
CCCCNc1ccc(cc1)C(=O)OCCN(C)C	15.8489
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1cnc(OC)c(Cl)c1	10
Fc1cc2c(cc1Cl)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1	0
NC1=NC(c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)(F)F	11
C=CCOC1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	7.4
Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CCS(C)(=O)=O)cnc2C(N)=O)c1	14
Clc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3c(NN4CCCCC4)ncnc32)cc1	2.7
C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1	5.1
COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F	28.5
OCC(O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	2.3
CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl	10
CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1	10.9
COc1cc(C(O)(CCn2ccnc2)C(c2cc3cc(Br)ccc3nc2OC)c2cccc(OC)c2OC)cc(OC)n1	11
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)S(=O)(=O)NC(=O)c2ccccc2)cc1Cl	6.3
CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(OC(F)(F)F)cc1	5.4
C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1	15.8
C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1	0.2967
O=C(Cn1ccc2ncc(-c3cccc(C(F)(F)F)c3)cc21)N1CCC1	5.3
CCN1CC2C(C1)CC(C2)N(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)C(F)(F)F)F	1.54
O=C(O)CCc1cnc2c(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1	31.6228
CO[C@H]1C[C@@H](n2c(=O)n(C)c3cnc4cc(F)c(-c5ccc(CO)nc5)cc4c32)C1	23
Cc1cc2nc(CC3CCCC3)n(Cc3ccc(Cl)cc3)c2cc1C	1.3
O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ncccc2[nH]c1=O	13
N[C@H]1CN(c2ccc3nc(=O)ccn3n2)CC[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F	100
OC(=O)c1ccc(cc1)C1CCN(CC1)[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1	107.2
NC(=O)[C@@H]1CCC[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1	31.6228
OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Cc1c2cccc1	50
N[C@@H]1CCC=C(c2ccc(F)cc2)[C@H]1COc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl	10.3
Clc1cc(ccc1)CN1CC[C@@H]([NH+](Cc2n(cnc2)Cc2ccc(cc2)C#N)CCCNC(OC(C)(C)C)=O)C1=O	0.11
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(Cl)c1	45
O=C1[C@H](CCN1Cc1ccccc1)N(Cc1cncn1Cc1ccc(cc1)C#N)Cc1cccnc1	0.87
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(C(=O)NCCN3CCCC3)c(F)c2)CC1	50
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O	5.55
CO[C@H]1CN(C2CCN(c3nc(N)n[nH]3)CC2)[C@H]1Cc1ccc(Cl)cc1	0.34
CC(=O)O[C@H]1C[C@@]2(C)CN3C4C5(C1)[C@@H]2C3CC12C5[C@H](O)[C@H](C([C@]41O)OC(=O)C)C(=C)C2	1640
Clc1cccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)c1	0
OC(=O)CC1C(NC(=O)c2cc3c([nH]2)c(c(s3)Cl)Cl)Cc2c1cccc2	30
s1cc(cc1)-c1[nH]c2c(ccc(F)c2)c1[C@@H]1C[NH2+]CC[C@H]1F	1.5
Cc1nccn1-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)cn1	4.5
CC1CN(CC(N1)C)Cc1ccc(cc1)n1ccnc1C(=O)N1CCC(CC1)Nc1cccc(c1)F	25
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1ccsc1	4
CCCNC(=O)C1N(CC(C)c2ccc(Cl)cc2)C(=O)c2ccccc12	33
FC(F)(F)Oc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1	12.7
O[C@H](COc1ccc(Cl)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1	0.3
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(NS(C)(=O)=O)c(F)cc1F)c1cccc(F)c1	100
CCCCCCCCCCCC[N+](CC)(CC)CC	0.387
CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1	20
CC(C)Cc1cc(CNS(=O)(=O)c2ccccc2)nn1-c1ccccc1	21
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cccc(Cl)c1	70
CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1	0.056
O=C(Nc1ccc(F)cn1)[C@H](COCCO)Oc1ncnc2c1cnn2-c1ccccc1Cl	39.8107
CC(C)N(CCC(c1ccccc1)c2cc(C)ccc2O)C(C)C	0.0891
CC(CN(C(=O)c1cccc(c1Cl)Cl)C1CNCC1)C	20
FC(F)Oc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1	0
Clc1ccc(cc1)CNC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	5.23
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1	12.5892
CCOC(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)CC(F)(F)F	2.5
CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(CSC(N)=N3)c2c1	6
NC(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1	4.6
Clc1ccc(c(c1)Cl)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.05
CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccccc1	17
COCC(=O)N1CCC(n2nc(C)c(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)c2C)CC1	17
COc1ccc(cc1)C1CN(CC1CC(=O)Nc1cccc(c1)Cl)CCC1CCS(=O)(=O)CC1	0.29
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(O)CC1	3.3
CCOc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2cccc(OC)c2F)cc(OCC)n1	10
Clc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1Cl	2.2
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C(N)=O	10
O=S(=O)(NCc1ccccc1)c1cccc(Nc2ccc3nccc(-c4ccncc4)c3n2)c1	1.2
Clc1ccc(cc1)[C@H](N1CCN(CC1)CCOCCO)c1ccccc1	0.62
Cc1ccccc1-c1nc2cn(-c3cccc(Cl)c3)nc2c(=O)n1CC1CCCN(C(C)C)C1	10
COc1ccc(CCN2CCC(CCc3cccc(OCCF)c3)CC2)cc1.Cl	0.28
FC(Oc1ccc(cc1)c1ccc2n(c1)c(nn2)C(F)(F)F)(F)F	10
CCc1c(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)ccc2c1COC2=O	27
Nc1nc2cc3CCN(CCO)CCc3cc2s1	33
O=C1NCc2c(N1c1c(Cl)cccc1Cl)nc(nc2c1ccccc1Cl)NC1CN2CCC1CC2	5.8
CN(C/C=C/C=C/c1ccc(C(F)(F)F)cc1F)Cc1ccc2c(c1)OCO2.Cl	0.014
CC(C)=CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3c(cnc4ccccc34)C#N)c(=O)c12	0.9
COc1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1	0
Fc1ccc(CCN2CCN([C@H]3CCc4cc(CN5CCOCC5)ccc4C3)C(=O)C2)cc1	11
NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CNCCO3)n([C@H]3CCCNC3)c2n1	0.006
O=C1Cc2cc(ccc2S(=O)(=O)N1)C(=O)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	30
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=O)CN(C)C)CC1	24.5
CC(Cc1nc2c(n1Cc1cc(=O)[nH]c3c1ccc(c3F)F)nccn2)C	30
C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(Cn3cccn3)ccc-21	10
C[C@H](Nc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12)C1CCOCC1	3.6
CC(N(C)C)C1(c2ccc3ccccc3c2)CCCCC1.Cl	4.3
CC1(C)[C@H]2CC[C@]1(C)CN(CCN1CCN(C1=O)c1cccc(Cl)c1)C2	1.2589
COc1cc(C=Cc2nc3sc4CCCc4c3c(=O)[nH]2)ccc1-n1cnc(C)c1	4.7
OC(=O)\C=C/C(=O)C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3	12.5893
O(CC)C(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(O)=O)C)CCc1ccccc1	100
Nc1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3ccncc3Cl)CC2)n[nH]1	6.4
COc1ccc(cc1OC)C(C)NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12	100
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F	30
Cn1c(nnc1C(CCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F)(F)F)c1ccccc1	1.26
COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCCN(CCO)CC1	14
CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1	2.4
C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ccccc2C(F)(F)F)CO1	55.4
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2cccc(F)c2)c(C)n1	10
O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccc2)c2ccccn2c1=O	5.1
O=C(NC1CCN(C1)C1CCC(CC1)(O)c1ccc(cc1)C)CNC(=O)c1cccc(c1)C(F)(F)F	13.2
[NH+]=1CCNC=1[C@@H]1CC1(c1ccccc1)c1ccccc1	23
CN1Cc2ccccc2[C@@H](c2ccc(F)cc2F)N=C1CCc1ccc(NS(C)(=O)=O)cc1.Cl	38
CCS(=O)(=O)c1cnc(N2CC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)CC2=O)cn1	6.1
COc1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1	6.6
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(O)o1	22.4
Fc1ccc(c(c1)F)[C@@]12CO[C@@H](C[C@H]2CSC(=N1)N)c1ncco1	10.6
COCC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1	4.5
CN1CCN(CC1)c1ccc(cc1)-c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1	3
[S+2]([O-])([O-])(Nc1ccc2OC3(CC[N+](CC3)C3CCc4cc(C#N)ccc4C3)CC(O)c2c1)C	0.021
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cc(ccc1F)S(N)(=O)=O)c1cccc(F)c1	41.6869
NC1CC(=CCC1c1cc(F)c(cc1F)F)C(=O)N1CCn2c(C1)nnc2C(F)(F)F	300
Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(F)cc1	10
Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O	100
CN(CCc1ccc(cc1)NS(=O)(=O)C)CCOc1ccc(cc1)C(=O)N	0.922
FC(F)(F)c1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1	1.9953
Oc1c[nH]c(CCOc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)cc1=O	0.9
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cscn2)CC1)c1cccnc1	15
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(C)(=O)=O	3
Cl.Cl.Cl.Cn1cnc(C(=O)N(Cc2cccc(Cl)c2)[C@H]2CC[C@@H](N)CC2)c1	65.6
NCCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl	3.5
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(n1)C#N	6.9
CNCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1	8.29
c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2cscn2)c[nH]1)C3	4.393
O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2nnn(CC(F)(F)F)n2)CC1	29.89
COc1ccc(NC(=O)N2CCN(c3nc(N)nc4sncc34)[C@@H](C)C2)c(C)c1	8
N#Cc1cnc(s1)Nc1ncnc(c1)N1CCN(CC1)CCN1CCCC1	0.38
N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1cnc2ncccn12	59
COc1cc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1	12.9
CNC(C)c1ccc(OC)cc1Oc1ccc(Cl)c(Cl)c1	0.78
C(C1Cc2ccccc2CN1)N1CCC2(CCc3ccccc23)CC1	1.5
C1NCC1C(Oc1ccccc1)c1ccc2ccccc2c1	0.8
COc1c(cc(CN2CCC(CNCCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C)C(C)(C)C	0.1
N#Cc1ccnc(c1)N1CCC(CC1)C(=O)N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1	30
Cc1nc(-n2cnnn2)ccc1CC(=O)N1CCN(CCc2ccc3c(c2C)COC3=O)CC1	8.5
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1C2CCC(C2)NC1=O	5.3
CCCCN(CC)CC#CC#Cc1ccc(Cl)cc1	0.473
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(OCCCN2CCCCC2)cc1	100
CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F	20.5
CC(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1	33.3
C[NH+](C)CCCN(c(c12)cccc1)c3c(CC2)cccc3	3.4
C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)C	8
CC(C)Oc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1	30
CC(=O)N1CCC2(C1)CCN(C2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)c1cccs1	10
N#Cc1cncc(c1)c1nn2c(n1)CN(CC2)[C@@H]([C@@](c1ccc(cc1F)F)(Cn1cncn1)O)C	40
CC(C)=CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12	1.9
OC(=O)C1(CC1)Oc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1	20
CC(C)(C)C(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	2
COC[C@H](C)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)Nc2cnc(C)cn2)c1	18
O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1	8.5
CN(C)C(=O)N[C@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1	33
O=c1ccc(c[nH]1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1	190
C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cncc3[nH]ccc23)n1	15
CC(C(=O)N1CCN(CC1)c1ccc(cc1)Nc1nccc(n1)c1cnc(n1C(C)C)C)O	24
COc1c(OC)ccc2c1CN(C)CCc1c(C(=O)C2)cc2c(c1)OCO2	49.6
CNc1cc(Nc2cnc(C#N)c(O[C@@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1	24
COc1ccc(cc1)CCN1C(=O)N(CC1c1ccc(cc1)OC)NS(=O)(=O)CF	28.3
CN([C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)C1(C)COC1	46
CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccc(CS(C)(=O)=O)cc3)cc12	2.1
CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2C2(COC(N)=N2)C11COC1	10
C[n+]1c(COc2ccccc2)cccc1COc1ccccc1	0.767
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)N1CCN(CCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	0.2
Cc1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)CC1CCCO1	1.6
COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1	4.66
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OC(C)(C)C(=O)Nc4n3)c2n1	3
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(c2)-n2cccn2)nn1	10
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CCc1c(F)cnc2c1nc(N(C)C)c(c2)C(F)(F)F	1.7
CN(C)CCN1C2CCC1CC(NC(c1ccc(F)cc1)c1ccc(F)cc1)C2	5.48
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccccn1	20
N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1	30
O=c1n(cnc2ccccc12)-c1ccc(OCCCN2CCCC2)cc1	0.7
CN(C)C(=O)CNCCc1cccc(OCCCCC(F)(F)F)c1.Cl	9.6
Fc1ccc(cc1)Cn1c2c(nc1N1CCC(CC1)CNC1=[NH+]C=CC(=O)N1)cccc2	0.35
COc1cccnc1C(c1c(CCN(C)C)sc2c1cccc2)C	3
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)[C@H](C)O	8.1
COc1c(C#N)ccc2[nH]c(-c3cn4c(n3)[C@H](c3cccc(F)c3C)OCC4)cc12	5.29
COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12	7.1
C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F	5
Cc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1.Cl.Cl.Cl.Cl	8.11
O=C1CCc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2N1	0.5
CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1	4.1
CN(C)C(=O)N[C@@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1	33
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(OC(F)(F)F)cc2C1	7.4
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5cc(F)cc(F)c5F)C4)C[C@@H]3C(=O)O)c2c1	30.9
Nc1ccc(cn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	19.4
Fc1ccc(cc1)c1ccc(cc1)C(=O)N([C@H]1CCc2c(C1)ccc(c2)CN1CCN(CC1)C(=O)C)C	10
Nc1cc(F)c(S(=O)(=O)N2CCC(O)CC2)cc1C(=O)Nc1cc(F)c(F)c(F)c1	10.9
[S+2]([O-])([O-])(N1CC[N+](C)CC1)c1ccc(OCC)c(c1)C=1N=C2C(=[N+](N=C2CCC)C)C(=O)N=1	100
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc4[n-][o+]nc4c3)CC2)cc1	0
CNC(=O)CN1Cc2c(C1=O)nc(c(c2c1ccc(cc1Cl)Cl)CN)C	80
CCc1n[nH]c(CC)c1Oc1cc(C)cc(c1)C#N	100
Cc1nnc2ccc(nn12)N1CC[C@@H]([C@@H]([NH3+])C1)c1cc(F)c(F)cc1F	20.3
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)-c2noc(C)n2)nn1	8.1
CN(CCO)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1	15
CCCCCCCN1CCC(CC1)C(=O)c1ccc(cc1)Cl	0.124
COC[C@H](C)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)Nc2ccn(C)n2)c1	36
CCOC1CN(CC1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)C1CCC(CC1)(O)c1ccc(cc1)C	11
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC	51.16
C(C(N1CCNCC1)c1ccccc1)c1cccc2CCOc12	21.4
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)c1ccncc1	30
C[S+]([O-])c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)[S+](C)[O-]	12
COc1ccc(cc1OC)C1CCN(CCC2CCOc3ccccc23)CC1	0.1995
CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1	0.9
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@@H]1CNCCO1)c1cnn(c1)C	22
COc1cc2ccc(C#N)cc2cc1[C@@H](c1cccc(F)c1)[C@@](O)(CCN(C)C)c1cc2ccccc2o1	0.9
COc1cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@H](C2)O)ccc1OC	21
NS(=O)(=O)c1ccc(OCCN2CCCC2)cc1	100
O=C1COc2c(N1)cc1c(c2)C(CC1)N1CCC(CC1)NC(=O)c1cc(=O)c2c(o1)cc(cc2)F	14.6
CC(=C)COc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1	1.7
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCS(C)(=O)=O)c2ccc(OC(F)F)cc12	0.4
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccccc3C(F)(F)F)C2)n1C	1.9498
CNC(C)c1ccc(Cl)cc1Oc1ccc(C)c(C)c1	2.47
O=C(O)CC1CCC2(CCN(c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)CC2)OC1	7.8
CC[C@@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1	3.02
Cl.O=C1Nc2c(C1)c(ccc2)CCN(CCC)CCC	1.2
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl	0.5
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cscn2)CC1)c1cccc(NC(=O)OC)c1	17
CN([C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O	12.6
OC[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1	30
N=C(Nc1ccccc1)Nc1ccccc1	13
CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CNC5)cnc32)no1	5.7
C[C@@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2=O)cc1.O=CO	0.5012
CC(C)COc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1	4.9
Fc1ccc(c(c1)OCNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O)F	0.064
Cc1ccc(cc1)C#COCc1cccc([n+]1C)COCC#Cc1ccc(cc1)C	0.214
CN(CCCn1ccc2c1cccc2C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2)C	0.76
CS(=O)(=O)Nc1ccc(cc1)CCN(Cc1ccccc1)CCOc1ccc(cc1)NS(=O)(=O)C	0.023
CCOc1ccc2cc(-c3nn(CC4CCN(C)CC4)c4ncnc(N)c34)ccc2c1	0.4
Fc1ccc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)cc1C(=O)N1CCC(CC1)N1CCCC1	8
CCCN1CNc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2C1	0
CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2	1
CNC(=O)c1cnc(Nc2ccc(C#N)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC	6.7
Cc1nc(no1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1	2.5
CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@@H](Cc3c2c1)C1CCOCC1	33
CCN(CCN1CCCc2c1ccc(c2)NC(=N)c1cccs1)CC	4.5
CCCCC1(CCCC)NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)c1ccccc1	0.15
O=C(C1CCSCC1)N[C@H](c1ccc(cc1)F)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2	0.74
C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCS(=O)(=O)CC3)cc2)cc1	9.5
Cc1ccc2c(n1)cccc2N1CCN(CC1)CCc1cccc2c1OCc1n2ccc1C(=O)N	10
CCN(CC)CCSc1nc(-c2cc(OC)c(cc2Cl)C#N)c2c(c[nH]c2n1)C#N	1.07
COc1ccc2nccc(CC[C@H]3CC[C@H](NCc4ccc5c(c4)OCCO5)CC3)c2c1	0.26
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(OC2CCC2)nc1	9.8
C=C[C@H]([C@H]12)C[N@H+](CC2)[C@H](C1)[C@@H](O)c3ccnc(c34)ccc(c4)OC	0.3981
CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1	4.7
COC(=O)[C@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0.5
C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OC(F)(F)C(F)F)cc3)CC2)NC(=O)NC1=O	40
CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F	1.4
CNCc1ccc(cc1Oc1ccc(Cl)c(Cl)c1)C#N	1.3
CNCCC=C1c2ccccc2CCc2c1cccc2	2.2
COc1ccccc1N1CCN(CC1)CCCCCC(=O)n1c2ccccc2c2c1cccc2	2.83
CC(C)(O)c1ccc(cc1)-c1cc(C(N)=O)c(Nc2cccc(CN3CCOCC3)n2)s1	1.4
O=C(NC1CN(C1)C1CC[C@](CC1)(O)c1cncs1)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	44
O=C(c1ccccc1Oc1ccccc1)N(C1CNCC1)C	9.21
O=C(N1CCN(CC1)C1CCC1)c1ccc(CN2CCOCC2)cc1	10
Cc1ccc2c(n1)cccc2c1nnc(n1C)SCCCN1C[C@@H]2[C@](C1)(C2)c1ccccc1	2
Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1	2.7
CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O	104.7129
Clc1cc(Cl)c2cc(c3ccc(cc3c2c1)C(F)(F)F)[C@H](O)CC[N+](CCCC)CCCC	0.0308
Cn1cc2c(OCC3CCN(CCc4ccc(N)cc4)CC3)nc3ccccc3c2c1	0.1
CC(N(C)C)c1ccccc1Oc1ccc(Cl)c(Cl)c1	0.9
COC1COCCC1N(C)[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
O=C1OCc2cc(CCC3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21	6.4
Cn1ccc(n1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	50
COc1ccnc2c1c(c[nH]2)C(=O)C(=O)N1CCN(CC1C)C(=O)c1ccccc1	80
CNC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1	10
Cn1c(SCCCN2CC3CCN(c4c(F)cccc4C(F)(F)F)C3C2)nnc1-c1cnccn1	1.58
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4cccc(F)c4)C3C2)n1C	0.25
Fc1c(Cl)cccc1N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O	12.5892
O=C(NC1CCN(C1)C1CCC(CC1)(O)c1cnccn1)CNC(=O)c1cccc(c1)C(F)(F)F	30
OCC1CCCN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	4.89
O=C(NC1CCC(CC1)(O)c1ccc(cc1)O)CCc1ccccc1	30
Cc1cc2nc(\C=C\C3CCNC3)n(Cc3ccc(Cl)cc3)c2cc1C	1.6
CC(=O)Nc1cccc(c1)C1CCN(CCCn2c(nc3ccccc23)-c2ccc(Cl)cc2)CC1	0
Cc1ccc(cc1)C#Cc1cccc(C#Cc2ccc(C)cc2)[n+]1C	0.285
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C(O)=O)c1cccc(F)c1	56.2
Clc1cnc(nc1)N1CCC(CC1)C1CC1CCOc1ccc(cn1)n1nncc1	44
CCN(CC)Cc1cc(/C=N/N=C(\N)CC(O)c2cc3c(F)cc(F)cc3c3cc(C(F)(F)F)ccc23)ccc1O	0.39
Cc1ccc(-c2cc3ncccc3c(NC[C@H]3CCCNC3)n2)cc1	15.8489
CN(CC(=O)N1CCC(CC1)n1ncc(c1)c1cnc(c(c1)c1nc2c(o1)cccc2)N)C	100
Clc1ccc(cc1)C(=O)C1CCN(CC1)CCc1ccc(c(c1)Cl)Cl	0.136
CN([C@H]1CCOC1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1	30
CN1CCC(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCNCC5)cc4)n3)s2)CC1	50.1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(C(O)=O)c(Cl)c1	5.7
Cc1cn(cn1)-c1ccc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)cc1F	10
COC1CN(C1)c1nnc(C)c2c(C)n(nc12)-c1ccc(Cl)cc1OC(F)(F)F	4
COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1	5.9
CN1CCN(CC1)c1cc2c(cc1OC(C)C)ncc(c2Nc1ccc(c(c1)Cl)Cl)C(=O)N	6.8
COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1	7.9
O[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1	30
NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1	15
COc1ccc(cc1)Cc1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)CC1CCCO1	1.4
Fc1ccc(cc1)C(=O)C1CC[NH+](CC1)CCN1C(=O)c2c(NC1=O)cccc2	0.107
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(C)(C)C)C1=O	77
Cn1cnc(-c2cnc(O[C@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C[C@H]3F)c(C(N)=O)c2)c1	14
CC1CN(CCN1C(=O)c1ccc2c(c1)[nH]cc2)C(=O)c1ccc(cc1)c1ccccc1F	10
Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	10
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1	70
CCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1	0.9
NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1	3.1623
FC(F)(F)c1ccc2onc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccc4OCOc4c3)c2c1	1.9
O=C(N[C@@H]1CN(C1)[C@@H]1CC[C@H](CC1)c1ccc2c(c1)OCO2)CNc1noc2c1cc(cc2)C(F)(F)F	1.9
CC1OC2(CCN(CCc3cccc(C#N)c3)CC2)CN(c2ccccc2)C1=O	0.6
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(F)c(F)c3)c3ccccc3c2=O)CC1	16
COC(=O)C1CC2(C)CN3C4C5(C1)C2C3CC12C5C(O)C(C(C41O)C(=O)OC)C(=C)C2	100
Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl	7.9
CC(=O)N1CC2CC1CN2Cc1ccc(Oc2nc3ncccc3s2)cc1	10
Cc1c([C@@H](O)CN2CCC3(CC2)CN(c2ccc(=O)n(C)n2)C(=O)CO3)ccc2c1COC2=O	46
O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1	15.8
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(NC(C)=O)c2ccccc2)C(C)(C)C1	10
O(C)c1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2n(cnc2)Cc2ccc(cc2)C#N)C1=O	21
O1[C@@H]2[C@]34CC[N@+]([C@H](Cc5c3c1c(O)cc5)[C@]4(O)CCC2=O)(CC1CC1)C	1606.0006
COc1ccc2ncc(=O)n(CC(N)C3(F)CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	33
CN1[C@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CCO)C#N	30
NC(=O)c1cnc(SC2CCCNC2)c2cc(-c3ccccc3)sc12	4.9
Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1	1.753
COc1ccc2c(n1)c(ccc2)Oc1ccc2c(n1)c(=O)n(c(n2)C)CC1CCCN(C1)C(C)C	13.6
COc1ccc(nc1)[C@@H](C)NC(=O)Cc1ccc(cc1)C(C)(C)C	10
O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(=O)[nH]cc1F	40.477
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O	80
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1=CC=NC(=O)C1	3.4674
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)S[C@]1(C)CCC(CC1)c1onc(n1)C	0.38
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1	0.052
OC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)COC1	12.2
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2	1.9953
COc1cnc2ccc(=O)n(C[C@@H](N)[C@H]3CC[C@@H](CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	100
N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(n2)C(F)(F)F)c1	0.6
c1ccc2cc(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncc2c1	3.22
FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F	16
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1	30
COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CCCn1ccnn1)Cl	50
CNCc1ccc(F)cc1Oc1ccc(Cl)c(Cl)c1	3
CCN(C(=O)c1ccc(cc1)C(=C1CCN(CC1)Cc1ccc(cc1)F)c1cccc(c1)F)CC	1
Cn1c(N2CCC3(CCC[C@H]3N)CC2)nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O	0.25
Cc1cnn(-c2cccc([C@H](CC(=O)O)CN3CC[C@@H](CCc4ccc5c(n4)NCCC5)C3)c2)c1	10
Nc1nc(Nc2cnn(C3CC3)c2)nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)n1	9.5
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1	0.07
C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2cc(NC(=O)c3ccc(OC(F)F)cn3)ccc2F)CO1	0.4
Cn1nc(N2CCC3(CCN(C[C@H](O)c4ccc(-n5cnnn5)nn4)CC3)C2=O)ccc1=O	3.1
O=CN(C(CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)F)(CC(c1ncc(cn1)F)C)C)O	21
Fc1ccc2c(c1)N1N=C(C(C1CO2)(CCCN1CCN(CC1)C(=O)C)c1ccccc1)C(=O)C	10
OC(=O)c1cc(CN2CCN(CC2)c2ccc(Br)cc2)c2ccccn2c1=O	2.1
Fc1ccc(cc1)C(CCC[N+]1CCC([N+]2=C3C=CC=CC3=NC2=O)CC1)c1ccc(F)cc1	0.018
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O	31.5
NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1	1.51
OC[C@@]12[C@H](O)C[C@@H](C[C@@]2(O)CCC2C1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	10
OCCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0.7
CS(=O)(=O)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1	10
C[C@@H]1[C@H]2CN(CCC3(CCOCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F	5
CCN(C(=O)CN1Cc2c(C1=O)nc(c(c2c1ccc(cc1Cl)Cl)CN)C)CC	80
CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12	100
COc1cc(ccc1N1CC[C@@H](O)C1)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1	80
CCNC(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)c1cccs1	5
CC1CN(CCN1C(=O)C(=O)c1c[nH]c2c1ccnc2)C(=O)c1ccccc1	80
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)N1CC(C1)C(N)=O	16.3
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)onc1-c1ccccc1	6.4
Cc1ncc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)[nH]1	12
COc1ccc(cc1)N1[C@@H]([C@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O	80
C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(OC(F)(F)F)cn3)cs2)CO1	10.1
COc1ccc(cc1)[C@H]1CN(CCc2ccc(OC)c(OC)c2)C[C@@H]1CCc1cc2ccc(Cl)cc2[nH]1	0
CN1CCN(CC1)c1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1	12.2
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCOCC1	11
CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1	21
COc1cc(-c2cn(C3CCc4cc(F)ccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1	2.68
COC(=O)N1CC(CC1C(=O)N1CCCN(CC1)C1CCC1)Oc1cccc(F)c1	10
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2C#N)C#N)cn1)c1nnc(o1)C(F)(F)F	3.6
Fc1cc(F)c2c(c1)C(N=C2N)(c1ccnc(c1)C(F)F)c1cccc(c1)c1cncnc1	19
Cc1ccc(C(O)=O)c(c1)C(=O)N1CCC(CN2CCC(CC2)Oc2ccc(CO)c(Cl)c2)CC1	100000
CC(C1(CCC(C1)N1CCC2C1CCOC2)C(=O)N1CCN(CC1)c1nccc(c1)C(F)(F)F)C	1.1
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1	23
Nc1nccn2c([C@H]3CN(C4CCOCC4)CCO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12	4.6
CC(C)(C#N)c1cnc(s1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N	100
CCC[C@@H](CCO)Nc1nc(N)nc2c1CN(C(=O)c1cccs1)CC2	7.6
OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F	100
O=c1cnc2ccc(F)c3c2n1C[C@H]3CN1CCC(NCc2cc3c(nn2)OCCO3)CC1	42
CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1	30
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(CN2CCOCC2)c1	3.7
N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1	3.6
CSc1ccc([C@H]2N=C(OCc3ccc(NS(C)(=O)=O)cc3)N(C)Cc3ccccc32)cc1.Cl	21
CC/N=C(\N1CCCc2c1ccc(c2)C1=NN(C(=O)SC1)C)/c1ccc(c(c1)OC)OC	0.4
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cccs1	2.5
O=C(NC1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	8.2
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F	2.1
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(O)ccnc1C(F)(F)F	40
N[C@H]1C[C@@H](N2Cc3cnc(C(F)(F)F)nc3C2)CC[C@@H]1c1cc(F)c(F)cc1F	4.8
Clc1c(Cl)cccc1N1CCN(CC1)CCCCOc1ncc2c(c1)cccc2	0.16
O=C(N1CCC(CC1)CNc1ncccn1)CCc1ccccc1	10
O1[C@@H]2CCN(C[C@@H]1C[NH+](C2)C[C@@H](O)COc1ccc(cc1)C#N)C(OC(C)(C)C)=O	0.0891
Fc1ccc(cc1)CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)N(c1ccccc1)C	9.46
COc1c(cc(cc1C(C)(C)C)C(=O)NC[C@@H]1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C	2
CN(C)c1cccc(c1)[C@@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	25
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)OC)c1	1.1
COC(=O)c1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	1.3
N#Cc1ccc(Cn2cncc2CNC2CCN(C(=O)c3cncc(Br)c3)C2=O)cc1	6.0256
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1	10
CC(N1CCCC(C1)Cn1c(C)nc2c(c1=O)cc(nc2)Oc1ccc(c2c1nccc2)F)C	9.4
CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12	1.57
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@@H](CC2)C#N)c2cc(ccc12)C(F)(F)F	24
CCc1cc2OCC(=O)Nc2nc1CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	60
CN1CCN(CC1)C2=Nc3cc(F)ccc3Cc4ccccc24	6.4565
NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3)cc2)N1	7.9433
COc1ncc2ncc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1	81
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc(C(N)=O)c(C)nc1C	40
CC(C)c1nnc(C)n1C1CCN(CC1)[C@H](C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1	10
N#Cc1cc(cnc1c1ccc(cc1)C(=O)Nc1ccccc1N)CN1CCC1	25
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)NC(c3cnc[nH]3)c3ccccc3)CC2)c1	11.4
C[C@H]1CCCCO[C@@H](CN(S(=O)(=O)c2ccc(cc2)F)C)[C@@H](CN(C(=O)c2c(O1)ccc(c2)NC(=O)Nc1c(C)noc1C)[C@H](N1CCOCC1)C)C	100
CC(C)N1CCN(Cc2cnc(-c3ccc(C(=O)Nc4ccccc4N)cc3)c(C#N)c2)CC1	19
CCN(CC)CCNc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O	0
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1cccc(Cl)c1	9.2
C[C@H]1N(CCn2c1nnc2-c1coc(C)n1)C(=O)c1ccc(cc1)-c1cccs1	30
Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOCC4)c3oc2c1	30
Fc1ccc(c(c1)C)[C@@H]1CCN(CC1)C[C@H]1NCc2c(C1)c(Cl)ccc2O	0.97
CO[C@H]1C[C@@H](n2c(=O)n(C)c3cnc4cc(F)c(-c5ccc(OCCCN(C)C)nc5F)cc4c32)C1	22
S(=O)(=O)(CC)C[NH2+][C@@H]1c2cc(ccc2OC(C)(C)[C@H]1O)C[NH3+]	6.6
COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4ccc(Cl)c(Cl)c4)CO3)c2c1	4.8
Cc1ncoc1c1nnc(n1C)SCCCN1CC2C(C1)N(CC2)c1ccc(cc1)OC(F)(F)F	0.1
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCC(F)(F)CC2)o1	63
S1c2c(N(c3c1cccc3)C[C@H](C[NH+](C)C)C)cc(cc2)C#N	0.87
CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCC(C)(C)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F	2.6
NC(=O)c1cc(F)cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1	0.68
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C	4.2
COc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4	16.5
C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1	3.9
Fc1ccc(cc1)N1N=C[C@H]2[C@@H]1C=C1CCN(C[C@@]1(C2)C(=O)c1ccccn1)S(=O)(=O)c1cccc(c1)C(F)(F)F	20
CC(=O)NCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	33.3
COc1cc(F)c2c(c1)c(ccn2)NC(=O)C1(O)CCC(CC1)NCc1ncc2c(c1)OCCO2	113
CC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N	30
Cc1cc(CC(C)(C)O)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1	5.9
CCOc1ccccc1C[C@H](c1ccccc1)N1CCNCC1.Cl	16
Fc1cnc2ccc(OCCCC#N)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1	8.9
O=C1COc2c(N1)nc(cc2)CNC1CCC(CC1)[C@H](Cn1c(=O)ccc2c1cc(F)cn2)N	333
OC[C@@H]1OC(=O)N2[C@@H]1COc1c2ccc(c1)c1ccc(nc1)[C@@H]1OC(=O)N(C1)C	40
Clc1cccc(c1)N(C(=O)c1scnc1C)Cc1cc(=O)[nH]c2c1cccc2F	12
COc1cc2ccc(Br)cc2cc1[C@@H](c1cnc(OC)c(OC)c1)[C@@](O)(CCN(C)C)c1cccc2ccoc12	1
O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2ccccn2)Cn2c3c1c(F)cnc3ccc2=O	0.064
C[C@]12Cc3cn4c(nc3C=C1CC[C@@H]5[C@@H]2CC[C@@]6(C)[C@H]5CC[C@@]6(O)C#C)nc7ccccc47	2.7542
COc1cnc(C(=O)Nc2cc(F)c(F)c([C@]3(C)C[C@@H](c4c(C)noc4C)SC(N)=N3)c2)cn1	0.64
FC1CCN(Cc2ccc(cc2)C(=O)N2CCN(CC2)C2CC2)CC1	10
CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1C(C)COCC1C	1.2
CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl	866
FC(CN1CCN(C(C1)C)c1cc2[nH]c(nc2cc1Cl)SC(C)(C)C)F	10
CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	0.1
Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCCN3CCN(c4ccccc4)CC3)c2)o1	1.1
Cc1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc(c1)C(N)=O	0.66
C[C@H]1Cc2c([nH]c3cc(F)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21	30
CCCCc1cc(OC2CCN(CCCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1	0.4677
N#CCS(=O)(=O)NN1CC(N(C1=O)CCc1ccc(cc1)OC)c1ccc(cc1)OC	33
CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O	8
COc1c(cc(cc1C(C)(C)C)C(=O)N1CCN(C[C@@H]1C)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C	4.9
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2cncs2)c2cc(ccc12)C(F)(F)F	44
Fc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O	15.8
Cn1cc(CN2CCc3cc4nc(N)sc4cc3CC2)cn1	33
CCN(CC)C(=O)c1ccc(o1)C1=CC2(CCNCC2)Oc2ccccc12	5.1
FC(F)(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1	10.9
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F	25
CNC(=O)N1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	0.2
C[C@@H]1[C@H]2CN(CCCC3(CCOCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F	0.3
CNS(=C)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1	100
C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1nncc2[nH]ccc12	30
N#Cc1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)cc2C(N)=O)cc1	40
N[C@@H]1COCC[C@H]1Nc1nc(Nc2cccc3c2[nH]cc3C)c2c(c1)nc[nH]c2=O	30
Cc1ccc(o1)CN1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N	2.8
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1	0.1
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1cccs1	10
COc1ccc2ncc(F)c(C/C(=N\O)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	1.6
CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl	0.27
CCOC(=O)c1ccc(nc1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1)c1cnn(C)c1	2.8
Clc1cc(CNC23CCC(CC2)(OC3)CC2(O)Cn3c4c2c(F)cnc4ccc3=O)c(c2c1OCCO2)Cl	60
C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F	20
Nc1ccccc1NC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)cc1	32.6
COc1ccc2ncc(F)c(C/C(=N/O)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	5.4
O=C1COc2ccc(CNC3CCN(CCn4c5cc(Oc6cccnc6)cnc5ccc4=O)CC3)nc2N1	100
C[S+]([O-])c1ccc(-c2ccc3ncc(-c4cccc([S+](C)[O-])c4)n3n2)cc1	21.1
CCOC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	25.4
N[C@@H]1CCCC[C@H]1Nc1nc(Nc2cccc3c2[nH]cc3)c2c(c1)nc[nH]c2=O	30
Clc1ccc(cc1)C(NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)CC(=O)N(C)C	33.3
CC(C)(C)c1cc(CN2CCC(CNCCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(c1O)C(C)(C)C	0
C[C@@H]1NC(=NC1(c1ccc(F)nc1)c1ccc(F)nc1)c1cc(ccn1)C#N	10
CC(O)CN1[C@@H](C)CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]1C	7.3
COc1cc(-c2nc3n(n2)CCC[C@H]3c2ccc(F)cc2C)ccc1-n1cnc(C)c1	7.9
Oc1cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c1cc(O)c(O)c(O)c1	6
CN(C)c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1	2.5
O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4C4CC4)CC3)ccc21	3
CN(Cc1ccccn1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12	0.871
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1	2.63
Nc1cncc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1	8.5
COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)c3)c3ccccc23)cc(cc1C(=O)NC1COC1)C(C)(C)C	3
O1[C@@H](C/C=C\C=C\[C@H](O)[C@@H](C[C@H](CC=O)[C@@H](O[C@H]2O[C@H](C)[C@H](O[C@H]3O[C@H](C)[C@@H](OC(=O)CC(C)C)[C@](O)(C3)C)[C@H]([NH+](C)C)[C@H]2O)[C@H](OC)[C@H](OC(=O)C)CC1=O)C)C	102
O=C1N(C[C@H](N1C1CCN(CC1)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)c1ccccc1)C1CCCCC1	4
CCN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	2.5
Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)n(C)c1C	10
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1	1.6
Cc1onc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2cc(=O)n(C)c3nccnc23)c1C	33
CC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)cc1	100
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1	10
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C(C)C	8.5
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1c(F)ccc(NS(C)(=O)=O)c1F)c1cccc(F)c1	36.3
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)C#N)c1cncs1	35.1
CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1	1.5136
Clc1cc2N(c3c(Sc2cc1)cccc3)CCC[NH+]1CC[NH+](CC1)CCO	1
CC(C(O)c1ccc2NC(=O)CCc2c1)N1CCC(O)(CC1)c1cccc(F)c1	10
O(C)c1cc(ccc1OC)CC[NH+](CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cc(OC)c(OC)cc1)C	0.0198
COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1	30
F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1	89.5
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccn1	0
O=C1N(CC[C@@H]1[NH+](Cc1n(cnc1)Cc1ccc(cc1)C#N)CCCC)Cc1ccccc1	0.19
Clc1cc(cc(Cl)c1N)[C@@H](O)CNC(C)(C)C	79.4
CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(c2)C#N)CC1	12.5892
COC(=O)N(Cc1cc(ccc1c1cc(ccc1OC)CC(=O)O)C(F)(F)F)Cc1ccccc1	100
CCc1nnc([C@@H]2[C@H]3CN(C(=O)c4ccc(C[C@@H]5CC[C@H]([C@H](O)c6ccccc6)N5)cc4)C[C@H]32)o1	36
CCN1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	42.6
O=C(CNC(=O)c1ccccc1)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc2OCOc2c1	2.8
O=C1N(C[C@H](N1C1CCN(CC1)Cc1ccc(nc1C)Oc1ccc(cc1)C(=O)O)c1ccccc1)C1CCOCC1	30
[NH+]1(C[C@H](CCC1)c1c2c([nH]c1-c1ccccc1)cccc2)CCc1ccccc1	0.53
Fc1ccc(cc1)C(NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)C	27
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1F	10
Cc1nnc([nH]1)-c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F	1.3
O=C1NC=CC(=O)N1	11.4815
Cc1ccccc1C(N1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N)C	1.1
CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1	3.2
COc1cc(\C=C\c2nc3ccccc3[nH]2)ccc1-n1cnc(C)c1	0.68
CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1	0.9333
NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1	6.2
Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0
COc1ccc(cc1)C12CC1CN(CCCSc1nnc(-c3ocnc3C)n1C)C2	1.9333
S1C=2N(c3c(cc(F)c(N4CCNCC4)c3)C(=O)C=2C(O)=O)[C@H]1C	591.5998
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)CN	16
OC(=O)C(CCc1ccc(c(c1)F)c1nc2c(s1)nc(cc2)C1(CC1)c1ccccc1)(N)C	10
O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1	5.7
CN1CCN(C(C1)c1ccccc1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	4.7
CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1	10
COc1ccc(cc1)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1	33
CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)c1C	4.1
O=C(CC(O)(C(F)(F)F)C(F)(F)F)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1	22
[NH2+](CCCC1c2c(C=Cc3c1cccc3)cccc2)C	1.17
Fc1ccc(cc1)[C@@H]1CNC(=O)C21CCN(CC2)[C@@H]1COCC[C@@]1(O)c1ccccc1	24
OC1CCc2n(C1)c(=O)c(c(n2)C)CCN1CCC(CC1)c1noc2c1ccc(c2)F	1.3
CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1	10
O=C(O[C@H]1C[C@@H]2C[C@@H]3C[C@@H](C1)N2CC3=O)C1CNc2ccccc21	5.8884
Clc1cc(ccc1)CN1CC[C@@H]([NH+](Cc2n(cnc2)Cc2ccc(cc2)C#N)CCCc2ccccc2)C1=O	0.024
NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1	24
C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(C(F)(F)F)cn3)cs2)CO1	11.7
Fc1ccc(cc1)C1CCCN1C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	1.8
NC(=O)c1cnc2ccc(-c3cccnc3)c(F)c2c1NC1CCOCC1	13
N=C(N)NC[C@H](Oc1noc2ccc(-c3ccccc3Cl)cc12)c1ccccc1	9.5
COc1nccnc1N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O	1.4
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)OC(=O)Nc3ncccc43)c3ncc(CC(F)(F)F)n3C2)c1F	3.3
O=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1	5.3
CC1CCN(CCCOc2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1	1.61
N#Cc1ccc(cc1C(F)(F)F)N1C(=S)C(C(C1=O)(C)C)c1ccnc(c1)S(=O)(=O)N	100
CC1CN(CCN1C(=O)C(=O)c1c[nH]c2c1cccc2)C(=O)c1ccccc1	80
Nc1ncc(cc1c1nc2c(o1)cccc2)c1cnn(c1)C1CCN(CC1)S(=O)(=O)C	100
COc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	14.6667
CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3	3.7154
CS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(cn12)-c1cccc(c1)S(C)(=O)=O	4.8
C#C[C@H]1CC[C@H](N1C(=O)CNC1(C)CCN(CC1)c1nccc(c1)C(=O)O)C#N	45
CCCN(Cc1ccc(cc1)C=CC(=O)NO)CCc1c[nH]c2c1cccc2	6.68
CCN1C[C@H]2[C@H](CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@H]2C1	2.2
CN1CC2[C@](C1)(CCCC2)c1ccc(c(c1)Cl)Cl	4.14
COc1ccccc1CC(N1CCNCC1)c1cccc(F)c1	22.5
O[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	0.3981
CN(C(=O)c1ccc(cc1)n1c(C)nc2c1cccc2)C1CCN(C1)C1CCC1	30
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(C#N)ccc3nc2OC)c2cccc3c2OCO3)cc(OC)n1	1.6
N[C@H](Cc1ccccc1F)CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(F)(F)F	0.87
Clc1cc(Cl)cc(c1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1	14.8
Nc1ncc(cc1-c1ccc(nc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCNCC1	19
NC(CF)(CF)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1	15
O=C1OC2(CN1c1ccccc1)CCN(CC2)c1nc2ccccc2[nH]1	1
CC1CN(CCC1c1ccccc1C)C[C@@H]1CCc2c([C@H](C1)O)nccc2	9.2
COc1cc(-c2cn(C3CCc4ccccc4N(CC4CC4)C3=O)nn2)ccc1-n1cnc(C)c1	1.58
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)nn1	0.3
CCOc1cccc(c1[C@]1(O)C(=Nc2c1cc(Cl)cc2)N)F	21
COC(=O)N1CC(CC1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1	10
Cc1ccc(c(c1)F)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C	6.31
COC1CN(CCC1NCc1ncc2c(c1)OCCO2)CCn1c(=O)ccc2c1cc(C#N)cc2	174
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cc2F)Cn2c3c1c(F)cnc3ccc2=O	60
CC(c1c(CCN2CCC2)sc2c1cccc2)c1ccccn1	0.73
CC(=O)NC1CC2CCC(C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1	6.3
COc1ccc2ncc(F)c(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2n1	29.5
COC(c1cnc2n1C[C@@H](CC[C@H]2NC(=O)N1CCC2(CC1)C(=O)Nc1c2cccn1)c1cccc(c1F)F)(C)C	8
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	35
Cc1cccc(c1)N1CCN(CC1)CCCCCCN1CCN(CC1)c1ccccc1	3.8
O=C(N1CCOCC1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12	54.256
COCCC#Cc1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1	0.003
O=C1CCc2cnccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O	50
Cn1ccc(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)n1	8.08
CCN(CC)C(=O)c1ccc(cc1O)C1=CC2(CCNCC2)Oc2ccccc12	21.079
COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCN(C)CC1	1.3
S(=O)(=O)(Nc1cc2c(OC3(CC2=O)CCN(CC3)[C@@H]2CCc3cc(ccc3C2)C#N)cc1)C	0.0143
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(N)=O)CC1	10
NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N	33
C[C@@H](c1ccc(cc1)Nc1scc(n1)C(F)(F)F)C(=O)O	10
Cc1nc(c(s1)c1nnc(n1C)SCCCN1CC[C@@H]2[C@](CC1)(C2)c1ccc(cc1)C(F)(F)F)C	0.63
CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C	12.9
Cc1ccc(nc1)N1CCN(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(=O)n3ccccc23)CC1	11.5
COC(=O)C(CCCN1CCN(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C	1.38
CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1	18.8
Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC44CC4)n3)c2c1	3.7
CNC(=O)COC1C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C(C)C)C)C(C)C(OC2OC(C)CC(C2)(C)OC)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C	30
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1ccnc(n1)C(F)(F)F	35.9
COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)CN(CC2CCOCC2)CC4)c(F)c1	2.7
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1	0.49
CN1CC(c2ccccc2)c2cccc(N)c2C1	27
CN(S(=O)(=O)C)c1ccc2c(c1)[nH]c(n2)Cc1ccc(cc1)Oc1ccccc1	0.64
NCc1c(C)nc2c(c1c1ccc(cc1Cl)Cl)CN(C2=O)CC(=O)N1CCN(CC1)C(=O)C	80
O=C(C1(CC1)c1ccccc1)Nc1cc(ccc1n1ncnc1)C(F)(F)F	50
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)S[C@]1(C)CCC(CC1)c1nnnn1C	6.3
CC(C)c1noc(N2CCN(c3ncc(OCc4ccncc4C#N)cn3)[C@H](C)C2)n1	11.6
CC(C)(C)c1cc(CNCC2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(c1)C(C)(C)C	0.46
O=c1n(CCCCN2CCN(c3cccc4sccc34)CC2)nc2c(F)cccn12	2.2
CNCc1ccc(Cl)cc1Oc1ccc(C)cc1	1.6
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F	6.9
O(C(=O)[C@@H](CO)c1ccccc1)C1C[C@@H]2[NH+]([C@H](C1)CC2)C	0.558
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccncc1	0.2951
O=C(c1ccccc1Oc1ccccc1)N(C1CNCC1)C1CCC1	2.95
O(C[C@H](O)[C@@H](NC(C)C)C)c1c2c(CCC2)c(cc1)C	9.2
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F	30
CC(C)Oc1cc(ccc1OC(F)F)C(c1ccc(nc1)C(C)(C)O)c1ccc(=O)[nH]c1	56.2
Cn1c(SCCCN2C[C@@H]3[C@](C2)(C3)c2ccccc2C(F)(F)F)nnc1c1ocnc1C	6.31
FC1CCC(C1)NCc1nn(c(c1C)c1ccc(nc1)C)c1ncccc1Cl	29
COc1ccc(cc1)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C	1.26
c1ccc(cc1)Oc1ccc(cc1)Cc1nc2c([nH]1)cccc2	2
COc1cc(-c2cn(C3CC[C@@H]4CCCC[C@H]4N(Cc4ccccc4)C3=O)nn2)ccc1-n1cnc(C)c1	9
COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(C)cc23)c1C	33
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1C(F)(F)F	10
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1ccc(Cl)cc1	3.1
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(=O)n(C(F)F)n2)C3=O)ccc2c1COC2=O	19.1
CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@@H]([C@@H]2O)N(C)C)[C@@](C[C@@H](C(=O)[C@H]([C@@H]2[C@@]1(C)OC(=O)N2C1CN(C1)Cc1c(O)cnc2c1cccn2)C)C)(C)OC	140
O=C1CN(CCN1c1ccc(cc1)OCCCN1CCCCC1)C(=O)c1ccc(cc1)S(=O)(=O)C	63
Fc1cccc(c1)C1(CCN(CC1)C(=O)c1cc(c(cc1Cl)F)S(=O)(=O)NCC(F)(F)F)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2	7.9
O=C(N(CCN1CCCCC1)C)C1CCC2(CC1)OC(=O)c1c2cccc1	10
NCc1cccc(c1)C1CCN(CC1)C(=O)c1cc(cc(c1)-c1nc(no1)-c1cccs1)C(N)=O	30
O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccc2[nH]ccc2c1	4.4
OC1CC(O)CC(C1)Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	6.3
C[C@]12CCC(F)(F)C[C@H]1C[C@@H](N1CCC[C@@H](N)C1)[C@@H]2Oc1ccc(C#N)cc1	13
Cn1cnc2c1c(=O)[nH]c(=O)n2C	100
COCCOCCNC(=O)C1N(CC(C)c2ccc(Cl)cc2)C(=O)c2ccc(F)cc12	33
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccc(F)c4)nn3c(N)nc12	23.8
Clc1ccc(OC(C2CNC2)c2ccc3ccccc3c2)cc1Cl	0.2
Clc1ccc2c(c1)c1CCCC(c1[nH]2)NC(=O)c1ccccn1	20
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc3ccccc23)nn1	10
COc1nc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cc(SC)nc(SC)c1	2.8
COCCN1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1	43
O=C(C1CCC(CC1)(F)F)NC(c1ccccc1)CCN1C2CCC1CC(C2)n1c(C)nnc1C	5
C[C@]1(O)CC[C@@H](CC1)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1	12
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4c(O)cnc5cccnc45)C3)C(=O)O[C@]12C	67
O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCN(Cc1ccccc1)C3	0.49
CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N	30
OC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1	12
N#Cc1ccc(cc1Cn1c(cc2c1c(=O)n(C)c(=O)n2C)N1CCCC(C1)(C)N)F	30
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(Cc2ccccc2)C1=O)C(F)(F)F	5.48
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(C)o1	8.5
N#Cc1cccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)c1	10.2
C[C@H]1N(CCn2c1nnc2-c1nc(C)cs1)C(=O)c1ccc(cc1)-c1cccs1	17
COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N(C)C	50
C[n+]1c(CCCOc2ccccc2)cccc1CCCOc1ccccc1	0.2
Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1	100
CC(C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F	6.2
Fc1ccc(F)cc1C=1CN(C(=O)C(CN)(C)C)[C@H](C=1)c1ccccc1	2.2
COc1cc(-c2cn(C3CCc4c(F)cc(F)cc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1	1.83
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(CCOC)CC1)c1cccc(NC(=O)C2CC2)c1	30
Cc1ccc(cc1)CCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O	0.3
COCC1[C@H]2CC[C@@H]1CN(CCN1CCN(C1=O)c1cccc(Cl)c1)C2	1
CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCO2.Cl	3.9
Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCNCC3)cc2)cc1.Cl.Cl	7.1
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N	30
OC(C(N1CCCC1)c1ccccc1)(c1cccnc1)c1cccnc1	20
Fc1c(N2CCC(CC2)C)c2OC[C@H]([C@@H]3C=C(C(O)=O)C(=O)c(c23)c1N)C	460.3699
COc1ccc2c(c1)n(C[C@@H](C1CCC(CC1)NCc1ccc3c(n1)NC(=O)CO3)N)c(=O)cn2	333
Cn1cc(-c2ccnc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O	1.3
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1	20
N#Cc1ccc(cc1)[C@@]12CC[C@H](C2C1)N(C(=O)Nc1ccc(c(c1)C(F)(F)F)F)CCCN1CCN(CC1)C	0.052
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NS(C)(=O)=O)cc1)N1CCOCC1	29
COc1ccc2nccc(CCN3CCC(NCc4ccc5c(c4)OCCO5)CC3)c2c1	0.81
Fc1ccc2CCC(=O)N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)c2c1	5.7
COc1ccc(cc1)[C@H](N[C@@H]1CC[C@H](C(C1)(C)C)C(=O)N1CCC(CC1)(NC(=O)C)c1ccccc1)C	10
COCCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1	8.4
CN1C(CN2CCC3(CCc4ccccc34)CC2)Cc2ccccc2C1=O	6.96
C[C@]12CC[C@@H]3c4ccc(OCCCN5CCCC5)cc4CC[C@H]3[C@@H]1CC[C@@H]2N1CCCC1	7.5
CC(CN(C)C)CN1c2ccccc2Sc3ccccc13	6.7608
Brc1ccc2Oc3cc(Cn4cncc4CN[C@@H]4CCN(Cc1c2)C4=O)ccc3C#N	4.6
COc1nc2ccc(C#N)cc2cc1[C@@H](c1cccc2c1OCO2)[C@@](O)(CCN(C)C)c1cc(SC)nc(SC)c1	5.9
CC(C#N)=C1CCN(CC1)c1ccc(cc1F)N1C[C@H](Cn2cc(F)nn2)OC1=O	21
CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1Cl	0.3
COc1c(C)cc(nc1C)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1	3.8
Fc1ccc(F)cc1C=1CN(C(=O)[C@H](O)C2CC2)[C@H](C=1)c1ccccc1	11
O=C(NC1CN(C1)C1CCC(CC1)NS(=O)(=O)C)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	23
OC(=O)\C=C/C(=O)C(CNc1nc2ccccc2s1)COc3cccc(CN4CCCCC4)c3	3.6308
Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1	30
COc1ccc2ncc(OC)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	4.26
CCN(C)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1NC(C)=O	12
COc1ccc(cc1OC)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2	14.4544
Cc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)ccn1	1
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O	0.0631
CN1CCC[C@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1	4.7
O=C1CCc2ncccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O	50
COc1ccc(cc1)CCCOC(c1ccc(cc1)OC)Cn1ccnc1	3
CCN1C(=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc4ccccc14	0.9333
O=C(Cc1cnc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1	90
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)c(F)c1	70
O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CC(=O)N2)ccc4C#N)cc13	9.9
CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@]2(COC(N)=N2)C11COC1	10
Nc1nc(NC2CCNC2)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F	2.4
O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ccccc12	7.9
Cn1cc(cn1)-c1cnc2ccc3ccc(NS(N)(=O)=O)cc3c(=O)c2c1	4.3
N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1	0.47
C[S+]([O-])c1ccc(Nc2ccc3ncc(-c4ccc([S+](C)[O-])cc4)n3n2)cc1	32.3
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccc(nn1)N(C)C	18
Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(Cl)c1	3.9811
Fc1c(N)c2c([N+](=CC(C2=O)C(=O)[O-])C2CC2)c(F)c1N1C[C@@H]([N+][C@H](C)C1)C	18
Nc1nc2ccc(SC(F)(F)F)cc2s1	10
COC(=O)C1=C(C)NC(C)=C(C(=O)NC[C@H]2CCN(CCc3ccc(OC(F)(F)F)c(F)c3)C2)C1c1cccc([N+](=O)[O-])c1	1.47
Cc1ncccc1-c1nnc(SCCCN2CCc3ccc4oc(nc4c3CC2)C(F)(F)F)n1C	3.98
O=C1OCC(=C1c1ccccc1)c1ccc(cc1)S(=O)(=O)C	100
FC(F)(F)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1	13.5
COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1nncc(n1)C(F)(F)F	8.9
CC(C)(C)OC(=O)N1CC(C1)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O	11
NC(=O)c1cnc2ccc(-c3cccnc3)cc2c1NC1CCOCC1	2.1
O(C(=O)C=1n2c3c(c4CC[NH+]5[C@@H](c24)[C@](C=1)(CCC5)CC)cccc3)CC	0.032
CC1(CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1)c1ccccc1	11
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CCc1c(F)cnc2c1nc(OCC1NC(=O)C1N)cc2	29.1
COc1cc(N)c(cc1C(=O)N[C@@H]1CCN2C[C@H]1CCC2)Cl	1.8
FC(Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C12CNCC2C1)(F)F	10
COc1cccc(F)c1CC(N1CCNCC1)c1ccccc1	8.55
CCNC1(CNC(=O)N2CCC(CC2)c2nc(no2)-c2ccc3ccccc3n2)CCCC1	24
O1CC(=CC1=O)[C@H]1CC[C@]2(O)[C@H]3[C@H](CC[C@]12C)[C@@]1([C@@H](C[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@@H]4O[C@H](C)[C@@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@@H](O)C5)[C@@H](O)C4)[C@@H](O)C2)CC1)CC3)C	0.0111
[O-][n+]1cccc(c1)C#Cc1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12	65.7
O=C(NC1CCC(CC1)(O)c1ccc(c(c1)F)O)CCc1ccccc1	30
OC1CN(CCC1c1ccccc1C)C[C@H]1C[C@H](O)c2c(C1)cccn2	50
O=C(NCC1CCN(C(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	0.7
CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC)C(=O)Nc1ccccc31	773
Oc1c[nH]c(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)cc1=O	5.3
C(N1CCC2(CCCc3ccccc23)CC1)c4ccccc4	1.4454
CC(=O)N1CCN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1	33
Oc1ccc(cc1)C(=O)NC(C(O)=O)(C)C	300.0001
Cc1coc(n1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F	19.6
Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1	30
O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1	3
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1cccc(c1)C(F)(F)F)C#N	30
CCOC[C@H](Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(Cl)cn1	10
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1cccc(c1)C(F)(F)F)C#N	2.372
CCN/C(=N/S(=O)(=O)c1ccc(cc1)N)/N1N=CC2(C1)CCCC2	10
CCO/N=C(\c1ccc(c(c1)F)F)/c1ccc(cn1)CN1CC[C@]2(CC1)OCc1c2cnc(c1)F	1.79
Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccccc1	0.6
CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@@H]([C@@H]2O)N(C)C)[C@@](C[C@@H](C(=O)[C@H]([C@@H]2[C@@]1(C)OC(=O)N2[C@@H]1CN(C1)[C@@H](c1ccnc2c1cccn2)C)C)C)(C)OC	43
O=C(N1CCC(CC1)CNc1ncccn1)NCc1ccccc1	10
CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cn1	1.79
CCN(CC)C(=O)c1ccc(cc1F)C1=CC2(CCNCC2)Oc2ccccc12	3.79
COc1ccc(C2(c3cccc(-c4cncnc4)c3)CCC(N)=N2)cc1	23
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(CC(F)(F)F)C1=O)C(C)(C)C	5.4
NS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1	1.9
COc1ccc(Nc2cc(NCCN)nnc2C(N)=O)nc1C(C)C	12.5892
NC(=NN=Cc1c(Cl)cccc1Cl)N	19.9526
CCCCCCCN(CC)CCCCc1ccc(Cl)cc1	0.0043
CNC(=O)N1CCC(CC1)C1NC(Cc2c1[nH]c1c2cccc1)c1[nH]cc(n1)c1ccccc1	0.24
COCc1ccc(-c2cc3c(N[C@@H](C)c4ccn(C)n4)c(C(N)=O)cnc3cc2F)c(F)n1	24
O=C(c1ccc(F)cc1F)N1CCN(c2ccc(OCCCN3CCCCCC3)cc2)C(=O)C1.O=CO	50.1187
C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	10.9648
O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2Cl)CCc2cccnc12	1.5
Cn1cc(cn1)-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1	5.5
CCCN[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC	223.8721
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cncc(c1)C(F)(F)F	2.1
[NH3+][C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cc(ccc21)C(F)(F)F	7.5
CC(=O)Nc1ccc2c(c1)c1cccc3c1c([n+]2C)c1ccccc1n3C	18
CC(C)c1ccc(cc1)S(=O)(=O)Cc1ccc(cc1)[C@@]12C[C@@H]1CNC2	1.2589
Cc1c([C@@H](O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O	23
CC1CCCN(CCN2CCN(C2=O)c2cccc(Cl)c2)C1	3.16
Cc1nc2cc(F)ccc2n1[C@H]1CC[C@@H](NC[C@H]2Cc3ccc(C#N)cc3C2)CC1	0.03
COc1ccc(cc1)CCn1ncc(n1)C(=O)c1ccc(c(c1)C)C	50
Cn1c(SCCCN2CC[C@]3(C[C@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccncc1	0.2239
CCCS(=O)(=O)N[C@@H]1CCN(c2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCC2)CC3)C1=O	4.5
CC(=O)N1CCN(CC1)CCOc1ccc(cc1)C1CCN(CC1)C1=Nn2c(CC1)nnc2C(F)(F)F	100
Cc1ccc2c(n1)cccc2c1nnc(n1C)SCCCN1C[C@@H]2[C@](C1)(C2)c1ccc(c(c1)Cl)Cl	0.63
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2ccc(cc2)C(F)(F)F)CC1	0.29
COCC(COCc1ccc(cc1)[C@]1(O)CCNC[C@@H]1c1ccc(cc1C)c1ccccc1CCNC(=O)C)(F)F	9.8
CCOC(=O)N1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1	4.1
C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N1CCOCC1)c1ncc(F)cn1	32
Cc1cnc(cn1)c1nnc(n1C)SCCCN1C[C@@H]2[C@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.79
O[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1	7.3
CCCCS(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1	30
C[C@H]1CN(C(=O)c2ccnc(Nc3nc4cnc(Nc5ccc(F)c(C(F)(F)F)c5)cc4[nH]3)c2)C[C@@H](C)O1	5.3
COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cc2[nH]c(nc2s1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C	40
CN(C)Cc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1.Cl.Cl	6.3
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(cc2C1)C#N	33.7
COc1c(C(O)CN2CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)CC2)ccc2c1COC2=O	19
CN(C)CCn1cc2C[C@H]3N(C[C@@H](C=C3c3cccc1c23)C(=O)N1CCCC1)C(=O)Nc1ccccc1	30
Clc1ccc(cc1)[C@@H](CC[NH+](C)C)c1ncccc1	21
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCCCN2CCCCC2)cc1	100
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1F	1
COc1ccc2ncc(F)c(C(CC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)C(=O)O)c2n1	1
Cc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1	31
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccc(nc1C)C(F)(F)F	0.63
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2CCc1ccccc1	0.38
COc1cccc(N2CCC3CN(CCCSc4nnc(-c5cnccn5)n4C)CC32)c1	0.79
OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F	0.103
CN(C)CCCCc1ccc(cc1)C(C)(C)C	7.5
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1C#N)C#N	1.188
C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F	100
N[C@H]1Cn2c(nc3ccc(F)cc32)C[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F	17
Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1	5.3
N[C@@H](Cn1c2cc(F)cnc2ccc1=O)[C@H]1CC[C@@H](CC1)NCc1ccc2OCC(=O)Nc2n1	100
CC(c1nc2ccccc2o1)c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1	1
CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C	14.7911
CCOc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	14.5
Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C#N	1.2
CCc1oc(CCc2cc(cc(NCCOC)n2)N2CCOCC2)nc1C	0.9
COc1ccccc1N1CCN(CC1)CC(COc1ccc(cc1)C(F)(F)F)O	3.95
Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1OCF	27
Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1NS(C)(=O)=O	33
CN(C)C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C	5.7
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O	117
CN(C)c1ccc(C(=O)N(CCCCCC(=O)NO)CC(=O)NCc2ccccc2)cc1	279.8981
COc1cc(\C=C\c2nc(N)c3c(n2)oc2ccccc32)ccc1-n1cnc(C)c1	0.5
CCCOCCn1c2cc(ncc2nc(N2CCNCC2)c1=O)-c1ccc(OC)nc1	0.67
Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1	10
CCN1CCOC(C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1	5
C[C@H]1CC(=O)NN=C1c1ccc(OC2CCN(CC2)C2CCC2)cc1	27
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1	9.75
CN1CCCN(CC1)C(=O)c1ccc(cc1)Nc1ncc(c(n1)c1cnc(n1C(C)C)C)F	32
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn(C)nc1C	24.8
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1	10
NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCCO3)n([C@H]3CCCNC3)c2n1	0.01
COc1ccc(cn1)C1(O)CCC(CC1)N1CCC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	30
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1coc(c1)C(O)=O	60
CC(C)Cc1cc(CNS(=O)(=O)c2ccc(Cc3ccccc3)cc2)nn1-c1ccccc1	6.55
CCOc1cc2ncc(c(c2cc1N1CCCN(CC1)C(C)C)Nc1cccc(c1Cl)Cl)C(=O)N	3.1
CC(COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C)O	18
O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCC(O)CC1	1.6
FCC1SC(=N[C@@]2([C@H]1CC(OC2)c1cnn(c1)C)c1ccc(cc1F)F)N	13.8
COc1cccc(c1)C(N1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N)C	9.5
OC1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	30
CC(C1(CCC(C1)N1CCC(CC1)c1cccnc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	0.224
CS(=O)(=O)c1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N	4.7
NC(=O)c1cncc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1	15
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F	4
CCN(CC)C(C)CCCNc1nccc(NCc2ccc(Cl)cc2Cl)n1.N	0.3
CCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(OC)n1	33.1
CCCCOc1cc(Cl)c(/N=N/c2c(O)ccc3ccccc23)c(OCCCC)c1	0.4
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@]3([C@]1(CC2)C)CCC(=O)O3)C	23
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(O)(CC1)C1CC1	5.6
COc1ccc(cc1)CCCN1C(=O)N(CC1c1ccc(cc1)OC)NS(=O)(=O)C	14.1
Fc1ccc2c(c1)C(=O)C=C(C2)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	4
COc1cccnc1Cn1ccc2nc(N)nc(NCc3cc(C)on3)c21	1.6
N#Cc1ccc(cc1)Cn1cncc1CNC1CCN(C1)C(=O)c1ccc[nH]c1=O	50
O=C(NC1CN(C1)C1CCC(CC1)(O)c1cncs1)CNc1nccc2c1cc(cc2)C(F)(F)F	32.9
CCOC(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C1CCCC1	4.1
CN(CCN1CCN(C1=O)c1ccccc1)C[C@@]12CC[C@@H](CC1)C2(C)C	3.98
COc1cc(CC(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12	8.8
O=C(N1C[C@H]2[C@H](C1)[C@@H]2CCc1ccc2c(c1)COC2=O)Cc1ccc(cc1)n1cnnn1	5
CC(C)c1cc(C(=O)NC[C@H]2CCN(CCc3ccc(C(F)(F)F)cc3)C2)on1	0.41
COc1ccc(cc1C(C)O)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C	32
O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1	1.3901
CC(C)CNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12	3.19
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)C1(C)CCC(CC1)NC(=O)OC	4.9
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP(O)(O)=O)c4n3)n2)cc(OC)c1OC	1
O=C([C@H]1CC(=O)N(C1)c1cccc2c1cccc2)OCc1csc(n1)N(c1ccccc1)C(=O)C	30
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCC(O)CO)c2ccc(OC(F)F)cc12	4.15
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1nc(C)cs1	1.9
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C	22.7
O=C(NC1CN(C1)C1CCC(CC1)c1ccccc1)CNc1ncnc2c1cc(cc2)C(F)(F)F	5.2
N#Cc1cccc(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)c1	2.7
CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1C[C@H](CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O	30
OCC[C@@]1(CCCCNC1)c1ccc(Cl)c(Cl)c1	33
NC(C(=C1CCCC1)F)C(c1onc(n1)c1ccc(cc1Cl)S(=O)(=O)C)CC1CC1	7.1
CCCCNC(=O)C1N(CC(C)c2ccc(Cl)cc2)C(=O)c2ccccc12	32
CN(C)c1ccc(\C=C\c2c(F)cccc2Cl)nc1	20.7
CN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1	4.5
FC(F)(F)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCCN3CCCCC3)cc2)cc1	100
O=C(OC1C[C@@H]2CC3C[C@@H](C1)N2CC3=O)C1CNc2ccccc12	5.9
O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1	0
Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1	3.5
Fc1ccccc1-c1ccc2oc(nc2n1)N1CCN2CCC1CC2	2.8
CNCc1cccc(c1)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1	17.4
O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13	8.3
COc1ncccc1C(c1c(CCN(C)C)sc2c1cccc2)C	1.8
CC1(C)CCc2cc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccncn3)ccc2O1	11.2
COc1ccc(NC(=N)NCCCOc2ccc(F)cc2)cc1	0.4168
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)-c1nc(=S)o[nH]1)c1ccccc1	31.6
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OC(F)(F)Oc3c2)CC1	0
COc1ccc2c(n1)c(ccn2)NC(=O)C1(O)CCC(CC1)NCc1ncc2c(c1)OCCO2	24
C[C@H]1OC(=O)[C@]2(CC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12	60
C(CN1CCOCC1)Oc1ccn(n1)C1CCCCC1	10
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1	2.5
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CCC)CC2)c2ncccc2c1.Cl.Cl	0.0871
CCN(CC)Cc1cc(-c2ccc3ncc(-c4ccc([S+](C)[O-])cc4)n3n2)ccc1F	0.59
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CC2CCN(C(=S)C(C)C)CC2)C[C@H]1OC	1.132
NCCc1c[nH]c(=S)n1[C@H]1COc2c(C1)cc(cc2F)F	120
O=C(c1ccc(cc1)OC1CC(C1)N1CCCCC1)N1CCC(CC1)(F)F	17
Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1	1.6
COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C	33
Clc1ccc(cc1)c1cc2C(NC(=O)c3n[nH]c(c3C)C)CC(Oc2nc1c1ccc(cc1Cl)Cl)(C)C	8.7
COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1F	0
Cc1nn2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1	30
CN([C@@H]1CCN(C1)C1CCC1)C(=O)c1ccc(cc1)-n1cccn1	25
N#Cc1cccc(Cl)c1-n1ncc2c(O[C@@H](COCCO)C(=O)Nc3ccc(F)cn3)ncnc21	63.0957
CC(C)Cc1ccc2ncccc2c1NS(=O)(=O)c1ccc(CCCN2CCN3CCC[C@@H]3C2)cc1	1.3
FC(F)(F)c1ccc2onc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3cncs3)c2c1	0
CCCOCCn1c2cc(ncc2nc(NCCNCCO)c1=O)-c1ccc(OC)nc1	4.5
NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCOCC3)n([C@H]3CCCNC3)c2n1	0.0017
COc1ccc(CCN(C)CCCN(C(=O)c2ccc(cc2)[N+]([O-])=O)c2ccc(OC)c(OC)c2)cc1OC	0
CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1	7.57
Cc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2cccc(Cl)c2)CC1	9.9
COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(OC2CCCC2)cc1	9.56
CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1nn(C)c2ccccc12	3.8
N#Cc1ccc(cc1)Cn1cncc1CNC1CCN(C1=O)Cc1cccc(c1)Cl	0.44
N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N	300
CNC(C(=O)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1)C(O)(C(F)(F)F)C(F)(F)F	13
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)CO	14
COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3nc(-c4ccc(Cl)cc4)sc3c2=O)C1	3.7
Clc1ccc(cn1)C(N1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N)C	3.3
CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O	30
CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CN(CCc12)C(=O)C(C)(C)C)c1cccc(F)c1	5
ClC=1C=CC2=[N+](C3CC[NH+](CC3)CCC[N+]3=C4C(=NC3=O)C=CC=C4)C(=O)N=C2C=1	0.1621
CN1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1CO	0.2
OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCC(CC1)c1ccccc1	3.46
C[C@@H](N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1	0
CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(F)cc12	5.8
Cc1cc(=O)n2C[C@@](O)(CC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c3c(F)cnc1c23	60
CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2cccc(c2)C(F)(F)F)CC1=O	1.7
OCC(C(=O)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1)(C)C	6
CC(C)(C)c1ccc(cc1)[C@@H](O)CCC[N@H+](CC2)CC[C@@H]2C(O)(c3ccccc3)c4ccccc4	0.0084
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	174
OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1	10
O=C(c1ccc(nc1)N1CCC2(CC1)CCN(C2)c1ncccn1)Nc1cc(ccc1N)c1cccs1	3.35
CCOC(=O)[C@H](C)N(C)C(=O)c1cc(C(=O)N[C@H](CC)c2ccccc2)c2COCCn12	10
CCNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1	0.4
FC(F)Oc1cc(-c2cnn(Cc3cn[nH]c3)c2)ccc1Cl	52.6
O=C(NC1CCN(C1)CCN1CCN(CC1)C(=O)c1cc(F)ccc1F)CNC(=O)c1cccc(c1)C(F)(F)F	10
O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCN(C1COC1)C3	0.98
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1OC	3.701
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccccc2)c2cc(ccc12)C(F)(F)F	10
c1ccc(nc1)c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)CC1CCCO1	5.5
COc1ccc(cc1)C1CN(CC1CC(=O)Nc1cccc(c1)Cl)CCc1ccc(c(c1)OC)OC	0.066
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2cccc(OC)c2)CC1	0.36
Fc1cccc(c1)COC(=O)N1CCC(CC1)CNc1ncccn1	10
CCOc1cc([C@H](c2cc3cc(C#N)ccc3cc2OC)[C@@](O)(CCN(C)C)c2cccc3ccoc23)cc(OCC)n1	3.3
CC(C)Cc1ccc2nn(C)cc2c1NS(=O)(=O)c1ccc(CCCO[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc1	3.3
Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl	3.9
OC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	60
Cc1ccncc1c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)CC1CCCO1	8.8
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O	80
COCCN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2	0.25
COc1c(N2CCNC(C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1	128.9714
CC1Nc2cc(ccc2C(=O)N)n2c(CCCN3C1CCCC3)c(c1c2CC(C)(C)CC1=O)C	1.5
OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21	30
CC(=O)NC1CC2CCC(C1)N2Cc1ccc(Oc2nc3ncccc3s2)cc1	10
CN1CCC(C1)Oc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O	0
COc1cc(C#N)c2ccc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c2c1	2.5
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1cnc(cn1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F	40
COc1ccc2ncc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ncc4OCC(=O)Nc4n3)c2c1	333
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)[C@H]1CCc2cc(F)c(F)cc12	20
CN1CCC(CCCc2cc(Cl)c(c(Cl)c2)S(=O)(=O)N(C(F)F)c2c(C)nn(C)c2C)CC1	0.6
COC(=O)c1c(C)noc1c1ccc2c(n1)ccc(c2)CCN1CCCC1C	6
Fc1ccc(cc1)-c1[nH]c2c(ccc(F)c2)c1[C@@H]1C[NH2+]CC[C@@H]1F	1.6
C[C@H]1[C@H](Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1	0.4
O(CC[NH2+]C[C@@H](O)COC=1[C@H]2C(=Nc3c2cccc3)C=CC=1)c1ccccc1OC	10.42
CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O	7.5
CN(C)c1ccc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(C(=O)NO)cc2)cc1	52.1195
Cc1cc(C)nc(n1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1ccccc1-c1ncn[nH]1	10
C([C@H]1C[C@H](C1)c1ccc(CN2CCCC2)cc1)N1CCOCC1	300
COc1cccc(c1)C(NC1CCC(C(C1)(C)C)C(=O)N1CCC(CC1)(c1ccccc1)C(=O)N1CCCC1)C	10
Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O	0.7943
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)C(N)=O)c1ccccc1	25.1
CC(=O)NCCc1ccccc1c1ccc(c(c1)Cl)[C@H]1CNCC[C@H]1c1ccc(c(c1)F)F	1.1
CCN(C(=O)c1cccc(c1Cl)Cl)C1CNCC1	20
CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1	0
COc1ccc2ncc(O)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	1.96
N[C@@H](CC(=O)N1Cc2ccccc2NC(=O)C1)[C@H]1CCc2cc(F)c(F)cc12	20
O1CCN(CC1)CCCNC(=O)c1ccccc1OCC	0.182
Fc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl	14
O=C1CN(CCN1c1ccc(cc1)OC1CCN(CC1)C1CCCC1)C(=O)c1cccc(c1)S(=O)(=O)C	63
CC1(C)Oc2c(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)cccc2C=C1	38
[O-][N+](=O)c1ccc(CCN2CCNCC2)cc1	0.19
CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(cc1)C(F)(F)F	1.8
CCCNC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	1.28
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1	1.1
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1C(C)(C)C	3.98
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc(s1)-c1ccccc1	1.36
N#C[C@H]1C[C@@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1	26
CN=C1SN(C(=N1)c2ccccc2)c3ccccc3	11.4815
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(CC(F)(F)F)C1=O)c1ccccc1	2.2
O=C1OCC2(N1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)c1cccs1	30
CN(C)c1ccc(-c2cc3nccnc3c(NCCCCN)n2)cn1	39.8107
CC#CCn1c(N2CCCC(C2)N)c(c2c1c(=O)n(CC(=O)c1cccc(c1)OC)c(=O)n2C)C#N	13
COCc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC4)c(F)c3)CC2)nc1	19
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCC1)c1ccc(Cl)cc1	100
ONC(=O)\C=C\c1ccc(CNCCc2c(nn3ccccc23)-c2ccccc2)cc1	10.4
CC(=O)N1CCC(CC1)c1cc(C)c(cc1C(F)(F)F)C(=O)NC(N)=N	7
NC(=O)[C@@H]1CC[C@H](c2cccc(Oc3ccccc3)c2)N1	63.0957
Cc1cc(C2C[C@H]3[C@@H](CF)SC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)on1	2.1
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cccnc1F	10
Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O	1.1
CN[C@H]1CC[C@H](CC1)N1CCc2ccc(cc12)N=C(N)c1cccs1	13
CC(C)c1ncc(s1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F	17
CCCCCCCN(CC)CC#CC(c1ccccc1)c1ccccc1	0.2
Cc1cc(cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1)C(C)(C)O	6.5
O=C(NC1CCc2ccccc2CC1)N1CCC(CC1)c1nc(no1)-c1ccccn1	25
CN(C(=O)c1ccc(cc1)n1c(C)nc2c1cccc2)C1CCN(C1)C1CCCC1	2.3
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(C)(C)C)n1C	0.2512
Cc1ncoc1-c1nnc(SCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	0.5248
Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F	15.8
Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O	111
O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1	0.22
COc1cccc(c1N1CCCC(C1)N)/C=C\1/SC(=O)NC1=O	30
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(N)=O	5.4
CC(C)N1Cc2cc(ccc2C1=O)-c1onc(c1C)-c1ccc(F)cc1F	1.06
OCc1nc2ccccc2n1Cc1ccc(Cl)cc1	30
O(C)c1cc(N[C@@H](CCCN)C)c2ncccc2c1	21.5
Cn1cc(Nc2nc(N)nc(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)n2)cn1	24
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1nccs1	30
COc1ccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)cc1	11
C[n+]1c(CCCOc2cccc(Cl)c2)cccc1CCCOc1cccc(Cl)c1	0.06
O=C(c1cccc(c1Cl)Cl)N(C1CCOCC1)C1CCNC1	40
Fc1ccc(-c2cnn(Cc3cc[nH]n3)c2)cc1OC(F)F	135
CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C	0.0096
Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1	0.35
Cn1cnc(c1)C(=O)N(C1CC2C(C1)CNC2)Cc1ccc(c(c1)C(F)(F)F)F	4.33
FC(F)(F)c1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O	0.79
Cn1cc(-c2cc3nccnc3c(OCC3CNCCC3(F)F)n2)cn1	25.1189
Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3	10.7152
CN(CCCC1(c2ccccc2)C(=NN2C1COc1c2cc(cc1)Cl)C(=O)C)C	2
O=C(C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)NC(c1cccnc1)C	33.3
c1nn(cc1-c1ccnc2ccccc12)-c1ccccc1	2.5
COc1cccc2c1O[C@@H]([C@@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1	6.2
C1Oc2ccccc2-n2cnc(C#Cc3ccccc3)c12	1
ONC(=O)C=Cc1ccc(cc1)CN(C(C)C)CCc1c(C)nn2c1cccc2	10.03
CC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc21.Cl.Cl	32.5
Clc1ccc(cc1Cl)C12CC1CNC2	5
Fc1ccc(c(c1)F)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OCCCN1CCCCC1	63
Cc1[nH]c2ccccc2c1C1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2)C1	27.6
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CC4CC4)C3)CC2)cc1Cl	0.9
Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1	19.9526
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1ccncc1	4.8
CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)c(F)c2)cc1	8.54
O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@@H](OC[C@H]2C1)c1ccc2C(=O)OCCc2c1	41.5
OC(CN(Cc1ccccc1O)CCc1ccc(c(c1)Cl)Cl)COc1ccc(cc1)NS(=O)(=O)C	0.83
NC(=O)Nc1sc(cc1C(=O)NC1CCCNC1)c1ccccc1	31
COc1cc2CCN(C)[C@@H](C[C@H](O)c3ccc(Cl)cc3)c2cc1OC	0.4
CNCCCCOc1ccccc1Cc2ccccc2	5.7544
Fc1ccc(c(NP(=O)(c2ccccc2)c2ccccc2)c1)-n1cccn1	33
Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O	10
COCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N	30
N#Cc1ccc2cc1Oc1ccc3c(c1)c(ccc3)N1CC[C@@H](N(Cc3n(C2)cnc3)C)C1=O	4.4
Clc1cc2c(n(cc2C=2CC[NH+](CC=2)CCN2CCNC2=O)-c2ccc(F)cc2)cc1	10
OCCN1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)c1cccs1	6.5
CN(C)CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1	100
OCc1ccc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1	10
Cc1ccc(cc1)CCN1CCC(CC1)C(=O)c1ccc(cc1)Cl	0.072
CC(=O)N1CCc2c(C1)sc(n2)c1ccc(cc1)OC1CC(C1)N1CCCCC1	20
N#Cc1ccc2c(c1)c(nnc2N1CCC2(CC1)CC(C2)O)NCc1ccc(c(c1)Cl)OC	0.04
Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1	4.895
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2nccs2)c2cc(ccc12)C(F)(F)F	27
Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1	4.5
NC1CN(CCC1c1cc(F)c(cc1F)F)c1ccc2n(n1)ccc(=O)n2	100
COc1cccc2c1n1CCN(Cc1c2)CCCCN1CCn2c(C1=O)cc1c2cccc1	0.26
NC1CN(CC1c1cc(F)c(cc1F)F)c1ccc(cn1)n1ccc(cc1=O)OCc1ccccc1	6.1
CC1CNCCN1c1ccc(=O)n(n1)CCOc1ccccc1C(F)(F)F	3.7
C1CC(CCN1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	5.1
Cn1cc2cc(ccc2n1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1	10
CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1	30
FC(F)(F)c1ccc2onc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3nccs3)c2c1	0
COc1cnc2ccc(=O)n(CCN3CCN(CC3)c3nc4cc(C#N)c(C)cc4[nH]3)c2c1	33
CCOC(=O)C1CCN(CCOc2ccc(cc2)S(=O)(=O)NC(=O)Nc2ccccc2)CC1	100
ONC(=O)C=Cc1ccc(cc1)CN(C(C)C)CCc1c(CC)nn2c1cccc2	7.52
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(Cl)c1	7.8
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@@]1(C)CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N	30
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccc(F)cc2)C(=O)c2ccccc12	56
COc1cc(-c2cn(C3CCc4ccccc4NC3=O)nn2)ccc1-n1cnc(C)c1	17.6
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1	0
CCc1c(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)cnn1C1CCN(C(C)=O)CC1	17
O=C1C(COCc2ccccc2)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1	0.1
CCN(C1CCN(CCC(N2CCN(CC2)S(C)(=O)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	25
CN1CCC(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc32)CC1	0.37
CC1(OC(=O)N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC4)c(F)c3)CC2)CC1	23
N#Cc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OCCCN1CCCC1C	63
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)c1ccc(c(c1F)NS(=O)(=O)C)F	36.3
COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21	40.9
O=C(C1CCC1)NC(c1ccccc1)CC(N1CCC(CC1)n1cc([nH]c1=O)c1ccccc1)C	0.0047
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2	10
COc1cnc2ccc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c2c1	50.6
NC(=Nc1scc(n1)CSCC/C(=N\S(=O)(=O)N)/N)N	50
O=C1OCc2nc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)ccc21	26
CCCc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1OC	3.9811
O=C1NCCN(CC1)CCCC1(c2ccccc2)C(=NN2C1COc1c2cc(cc1)F)C(=O)C	17
Cl.Cn1cc2c(OCC3CCN(CCc4ccc(N)cc4)CC3)nc3ccccc3c2c1	0.05
CCN1CC2C(C1)(C2)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(C)C	1.3
S1c2ccccc2N(CC[N+](C)C)C(=O)[C@H](OC(=O)C)[C@@H]1(c1ccc(OC)cc1)	17.3
O=C(CC(C(F)(F)F)(C(F)(F)F)O)NC1CC(C)(C)Oc2c1cc(c1ccc(cc1)Cl)c(n2)c1ccc(cc1Cl)Cl	30
CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Br)cc4F)cc3c2=O)C1	1.2999
COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1	24.1
c1cc(F)cc(c12)CC[C@]([C@H]2C(C)C)(OC(=O)COC)CC[N@@H+](C)CCCc(n3)[nH]c(c34)cccc4	1.4454
CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1	40
NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Br)cn3)ccc1OCC21CC1	10
CC(C)NC(C(=O)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1)C(O)(C(F)(F)F)C(F)(F)F	63
FC(F)(F)c1cccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)c1	100
CCCCN(CCCC)C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1\C2=C/c1ccc(Cl)cc1	8.1283
Clc1ccc(cc1Cl)[C@@]12CNCC2CCCC1	3.64
Cc1cc(nc(n1)C#N)N1CCC(CC1)C1CCN(CC1)c1ncc(Cl)cn1	0.277
CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc6n(c5c4)C(C)(C)CC6)n3)nc2)CC1	6.38
CC(=O)N1N=C(C[C@@]1(CCCN1CCN(CC1)C(C)=O)c1ccccc1)c1cc(F)ccc1F	30
CC(=O)N1CCN(Cc2ccc3C[C@H](CCc3c2)N2CCN(CCc3ccc(F)cc3)CC2=O)CC1	25
Cc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O	2
Clc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1	20
Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1	0.0501
CCCCCOC(=O)N1CCN(CC1)C(=O)C(NC(=O)c1cc(cc(n1)c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1)CCC(=O)O	90
CCCCC1(CCCN1)C(=O)c1ccc2c(c1)cn[nH]2	10
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1cccc(F)c1	5.7
COCCC(C1C(NC(=O)c2cc3c([nH]2)c(c(s3)Cl)Cl)Cc2c1cccc2)C(=O)O	30
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2Cc1ccc2c(c1)OCO2	0.62
Fc1ccc(CCN2C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c3ccccc3C2=O)nc1	5.3
CCN(CCOCCOC(=O)C1(CCCC1)c1ccccc1)CC	3
FC(F)CN1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1	10
Cn1c(=O)sc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4CNCCCO4)cc3)cc21	23
CC1COc2c(O1)cnc(c2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)cnc3ccc2=O	60
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)NCC1CCN(C1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1	2.8
CCC(CC)N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC	2.5119
O(C[C@H](O)C[NH2+]CCC)c1ccccc1C(=O)CCc1ccccc1	0.44
COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4cc5c(cn4)OCCO5)CO3)c2c1	9.5
Cc1ccc(Cc2ccnc(COc3ccc(C)cc3)c2)cc1	0
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(Cc2ccccn2)CC1)c1ncc([nH]1)C#N	7.7
Clc1ccc(c(c1)Cl)c1nc(nc2c1CNC(=O)N2c1c(Cl)cccc1Cl)N1CCN(CC1)C(C)C	0.2
CC1(C)Oc2ccc(NC(=O)c3ccc(cn3)C#N)cc2C2(COC(N)=N2)C11COC1	10
OC(=O)c1ccccc1CN1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	12.5892
CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F	20
CC1CCCN1CCCOc1ccc(cc1)c1ccc(=O)n(n1)C	13
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccn1	33
Nc1nc2ccc(cc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F)C(F)(F)F	10.5
COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1ccnc(n1)C(F)(F)F	35.9
O=C1O[C@@]2(CN1c1ccccc1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N	10
O=C(Nc1ccccn1)[C@H](CN1CC(O)C1)Oc1ncnc2c1cnn2-c1c(F)cccc1Cl	79.4328
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1cnccn1	30
Oc1ccccc1CC(c1ccccc1)N1CCNCC1	10
Clc1cccc(c1Cl)N1CCN(CC1)CCCCN1CCn2c(C1=O)cc1c2cccc1	0.2
CC1=CC(=O)c2ccccc2C1=O	38.0189
O.OS(O)(=O)=O.C[C@@H](N1CCc2nc(sc2C1)-c1cncnc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	40
N#Cc1cnccc1COc1cnc(N2CCN(C(=O)OCC(F)(F)F)CC2)nc1	10
Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1	1.6
Cn1c(SCCCN2C[C@@H]3[C@](C2)(C3)c2ccc(c(c2)Cl)Cl)nnc1c1ocnc1C	1
[NH+]1(C[C@H](CCC1)c1c2c([nH]c1-c1ccccc1)cccc2)Cc1ccccc1	0.29
O=c1n(Cc2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1	0.17
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1	7.9
CCc1nc2c3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3ccc2o1	5
CCCCCOc1cccc(CCNCC(=O)N(C)C)c1.Cl	1.8
NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3ccc(Cl)cc3)[nH]c12	4.1
COc1cc(ccc1c1nnn(c1)[C@@H]1CCc2c(N(C1=O)CC(F)(F)F)cccc2F)n1cnc(c1)C	2.2
CC[C@@H]1CN2CCc3c([C@H]2C[C@H]1C[C@@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC	21.4
COc1ccc(-c2cc3c(N[C@@H]4CC[C@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)cn1	3
Cc1cccc(Nc2nc(NCCN)ncc2C(N)=O)c1	1.9953
CC(C)(C)NC(=O)NCCN1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	33
CN(c1ccc(-c2cc3ccccc3s2)nn1)C1CC(C)(C)NC(C)(C)C1	0.11
COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccc(Cl)cc2)CC3)c1	0.1
CO[C@@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1	27
CNCCOc1ccc(cc1)/C(=C(\c1ccccc1)/CC)/c1ccc(cc1)O	1.6
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1	11
Clc1ccc2c(c1)C1(NC(C)Cc3c1[nH]c1c3cccc1)C(=O)N2	30
COc1cc(F)ccc1-c1cncc(CNC(=O)C2CCC2)c1	18.6
CC(C(O)c1ccc2NC(=O)N(C)Cc2c1)N1CCC(O)(CC1)c1ccc(F)cc1	3.1
Cc1cc(ccc1[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C)C(F)(F)F	0.4
COc1ccc(cc1)c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)CCS(=O)(=O)N	33.3
FC(F)Oc1ccc(cc1OC(C)C)[C@@H](C=1C=C[C@@H](NC=1)C(O)(C)C)c1ccc[n+]([O-])c1	44.7
CCCCNc1ncc2c(n1)n(CC1CCC(CC1)N)nc2c1ccc(cc1)F	1.7
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1ccccn1	16
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(Cl)ccc4[nH]3)c2c1	1
Fc1ccc(c(c1)C(C[C@](C(F)(F)F)(Cc1cc2c([nH]1)cncn2)O)(C)C)C	3.8
CCCC1(CCCN1)C(=O)c1cc(F)c2[nH]ccc2c1	5.9
Cc1ccccc1[C@H]1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)C[C@@H]1O	50
Fc1cccc(c1)CN1CCC(CC1)NC(=O)C1=CC(=O)c2c(C1)cc(cc2)F	21.2
O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)-c4ccco4)CC3)nc2N1	1.3
Cc1cc(-n2cc3c(n2)CN(C(=O)c2cc(C#N)ccc2N2CCC(F)(F)CC2)C3)ccn1	6.9
S1[C@@H](NC=C1[C@H](c1cc(OC(C)C)c(OC(F)F)cc1)c1ccc[n+]([O-])c1)C(O)(C(F)(F)F)C(F)(F)F	39
Cc1ccc2c(c1)nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O	6.7
CCN(C1CCN(CCC(N2CCN(CC2)c2cccc(F)c2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	3.2
COc1cccc2c1OC(c1ccc(cc1)OCCCN1CCCC(C1)C)C(S2(=O)=O)C	2.5
CC(=O)Nc1nc(C)c(-c2cc3c(c(NS(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1	19.9526
CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC	1.8197
S1c2c(N(c3c1cccc3)C[C@H](CN(C)C)C)cc(cc2)C#N	0.87
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C	0.5
C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccccc12)c1ccccc1	1.2
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)C(C)(C)C)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O	80
N#C/N=C(/NCCSCc1nc[nH]c1C)\NC	1000
Cc1nn2c(c1)[C@](N=C2N)(c1cccc(c1)c1cncnc1)c1ccccc1	8.6
O=C(NC1CN(C1)C1CCC(CC1)(O)c1cnc(s1)C)CNc1ncnc2c1cc(cc2)C(F)(F)F	50
O[C@@]1(CC23CCC(CC2)(CO3)NCOc2cc(F)ccc2F)Cn2c3c1c(F)cnc3ccc2=O	0.064
CC1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2O1	5.7
CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2	2.0417
n1ccccc1N(CC[NH+](C)C)Cc2ccc(cc2)OC	1.0965
COc1cc(/C=C/c2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1	0.87
[NH+](CC\C=C/1\c2c(CCc3c\1cccc3)cccc2)(C)C	10
Cc1cnc(NC(=O)[C@H](CN2CC(O)C2)Oc2ncnc3c2cnn3-c2c(Cl)cccc2Cl)cn1	62
Cc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1	12
COc1c(cc(cc1C(C)(C)C)C(=O)N1CCN(CCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(C)(C)C	0.66
NC(=O)n1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2nccs2)c2cc(ccc12)C(F)(F)F	31
C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1cccnc1	0.19
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)c(Cl)c2)n1C	0.8333
COc1cccc(CCN(C)CCN2CCN(C2=O)c2cccc(Cl)c2)c1	0.6
COc1cnc(nc1NCc1ccc(F)cc1C(F)(F)F)-c1ccccn1	25
CC(C)C(Cn1ccnc1)NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	20.9
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3cn[nH]c3C(F)(F)F)CC2)c1Cl	1.9953
O=C(C(C(F)(F)F)O)NC1CC(C)(C)Oc2c1cc(c1ccc(cc1)Cl)c(n2)c1ccc(cc1Cl)Cl	0.26
O=C1c2c(cccc2)C(=O)C(C)=C1C\C=C(\CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)/C	5.75
Oc1ccc(cc1F)[C@@]1(O)CC[C@@H](CC1)NC(=O)CCc1ccccc1	30
C[C@@H](O)CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	6.1
Clc1ccccc1OC1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCNCC2	2.9
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccc(Cl)c(Cl)c1	0.6
N#Cc1cc(C(C)C)c2c(c1)nc(o2)c1ccc(cc1)C(=O)NCC1CCC(CC1)c1ccc(cc1)C(F)(F)F	30
COc1cc(\C=C\c2nc(NCc3ccccc3)c3c4CCCc4sc3n2)ccc1-n1cnc(C)c1	1.1
OC(C(N1CCCCC1)c1ccccc1)(c1cccnc1)c1cccnc1	14
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(C)(C)C)C#N	30
CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1ccc(cc1)C(C)(C)C)C#N	30
Fc1ccc2c(c1)onc2C1CCN(CC1)CCCNS(=O)(=O)c1cnc2n1cccc2	20
CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	16
CC(c1ccc(cc1)S(=O)(=O)Cc1ccc(cc1)C12CNCC2C1)C	1.3
N#Cc1ccc(cc1)N1N=C(CC1c1ccc(cc1)F)c1ccc2c(c1)oc(=O)[nH]2	0.029
COc1cnc(O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4CC4)C[C@H]3C3CC3)N(C(=O)[C@@H](NC(=O)O[C@H](C)C(F)(F)F)C3CCCCC3)C2)c2cc(Cl)ccc12	12.5
COc1cc(\C=C\c2nc(N)c3ccccc3n2)ccc1-n1cnc(C)c1	0.1
O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncn1	1.65
COc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1	2.18
COCCc1nc(n(c1c1ccc(cc1)Cl)C(C)C)CNC1CCC(C1)F	16
Cc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12	5.6
CCc1cc(Oc2ccc(F)cc2CNC)ccc1Cl	4.56
CN(C)c1ccc(-c2cc3nccnc3c(OC[C@@H]3CCCNC3)n2)cn1	12.5892
O=C1OC2(CN1c1ccccn1)CCC(CC2)c1nc2c([nH]1)cc(cc2)C(F)(F)F	4
Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O	19.4984
COc1ccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)nc1C(C)C	1.9953
Cc1cc(cnc1c1ccc(cc1)C(=O)Nc1ccccc1N)CN1CCC1	25
CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(C4CC4)nc13)C2	0.2
CCN1CCC[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1	5
CN(C(=O)c1ccc(cc1)Cn1c(C)nc2c1cccc2)C1CCN(C1)C1CCC1	30
C[NH2+]CCCN(c(c12)cccc1)c3c(CC2)cccc3	1.3804
CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(cc1)C#N)[C@H]1CCN(Cc2ccccc2)C1=O	0.1
Cc1ncc(cn1)c1cccc2c1CC(CO2)NC(=O)c1ccc(nc1)OCC(F)(F)F	10
Cc1cccc(c1)N=C(N)c1ccc(o1)-c1ccc(Cl)cc1	2.1
CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1	3
CC(C)CNc1nc(nc(N2CCOCC2)c1N)C#N	100
Cc1c2CCCN3CCCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12	0.9
OCC(CNc1nc(C#N)c(c2c1ccc(c2)OC)c1ccccc1)O	15
COc1cnc2c(cn(Cc3ncnc(OC)c3C)c2c1)C(=O)NCCO	33
Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1	32
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cnccn1	10
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccccn3)c2c1	7.5
CS(=O)(=O)c1ccc(cc1Cl)[C@@H](CC1CCCC1)C(=O)Nc1cnccn1	7.3
Fc1cccc(c1)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C	2
[NH2+]([C@@H](Cc1ccccc1)C)CCC(c1ccccc1)c1ccccc1	0.59
FC(F)(F)Cc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1	14
COc1ccc2c(Oc3ccc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1	100
COC(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1	14.8
Cn1cc(-c2ccc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)c2)cn1	4.5
CCc1n[nH]c(CC)c1Oc1cc(Cl)cc(c1)C#N	39
O=C(NCC1(CCCC1)N1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1	5.8
CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)=O)C#N	30
CCN1CCN(c2cc3[nH]c(SC4(C)CCC(NC(=O)OC)C4)nc3cc2Cl)CC1	2
NC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)c2cccc(F)c21	5.7
Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(=NNC(=O)c6ccccc6)CCC35O	0.8128
CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl	5.6234
COc1ncccc1C(=O)N1CCC(C1)NCc1cncn1Cc1ccc(cc1)C#N	21
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1	30
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)c(F)c2)c(C)n1	2.2
Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1Cl	0.9
CCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl	20
CCNC(=O)N[C@@H](Cc1ccc(c(c1)Cl)Cl)CCN1CC[C@H](CC1)c1c(CC)[nH]c2c1ccc(c2)F	0.01
Nc1ccc2[nH]ncc2c1	42.658
COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1cc(CN3CCN(C)CC3)ccc-21	9.19
CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@@H]([C@@H]2O)N(C)C)[C@@](C[C@@H](C(=O)[C@H]([C@@H]2[C@@]1(C)OC(=O)N2C1CN(C1)Cc1c(O)cnc2c1nccc2)C)C)(C)OC	67
CCNC(=O)[C@H]1C[C@H](OC)[C@@]2(C)CC[C@@H]3c4ccc(OCCCN5CCC[C@H]5C)cc4CC[C@H]3[C@H]12	11.4
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CC(CCNC1=O)C1CCCCC1	3.68
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2cc3OCOc3cc2Cl)CC1	0
CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1cccc(F)c1	9
FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@@]12C[C@@H]1CNC2	0.7943
O=C(O)c1cnc2c(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1	19.9526
FC(F)(F)c1ccccc1-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1	6
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1	90
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)c1ccccc1	30
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1	0.0026
COc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)CS3)c2)c1	12
CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12	0.67
COc1ccccc1[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2	85.6
Oc1ccc(cc1[C@H](CC[NH+](C(C)C)C(C)C)c1ccccc1)C	0.017
CN(C1CCN(C1)C(=O)c1ccc(cc1)Nc1ncc(c(n1)c1cnc(n1C(C)C)C)F)C	33
FC1CCN(C1)C(=O)C(C(C(=O)N(C)C)c1ccc(cc1)c1ccc2n(c1)ncn2)N	86
CC(C(O)c1ccc2NC(=O)NCc2c1)N1CCC(O)(CC1)c1ccc(F)cc1	7.4
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1	2.7
Clc1cc2c(n(cc2C2CC[NH+](CC2)CCN2CCNC2=O)-c2ccccc2)cc1	88
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc4OC(F)(F)Oc34)[C@H]12)C(N)=O	15.4
C[C@H]1CCCN1CCCOc1ccc(N2CCN(C(=O)c3ccc(F)cc3F)CC2=O)cc1.O=CO	31.6228
COc1cc(ccc1OCCN1CCCC1)-n1ccnc(CCCc2ccccc2)c1=O	7.3
CNCc1cc(F)c(Cl)cc1Oc1ccc(Cl)c(Cl)c1	3.2
CS(=O)(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1	30.7
O=C1NCc2c(N1c1c(Cl)cccc1Cl)nc(nc2c1ccccc1Cl)NC1CC(C)(C)NC(C1)(C)C	4.5
Cn1c(N2CCC3(CC2)COC[C@H]3N)nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O	0.93
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccccc4OC(F)(F)F)C3C2)n1C	0.63
OC(COc1ccc(cc1)NS(=O)(=O)C)CNCCc1ccc(c(c1)F)Cl	1.91
Brc1ccc2c(c1)CC(=CC2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	2.5
CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1cc(C)ccc1F)C(=O)N	13
O(C[C@H](O)C[NH2+]C(C)C)c1c2c(ccc1)cccc2	10
CCN1CCN(C(C1)C)c1cc2[nH]c(nc2cc1Cl)SC(C)(C)C	9.9
CCO[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F	4.5
CCCCN(C1CCN(C1=O)Cc1ccccc1)Cc1cncn1Cc1ccc(cc1)C#N	0.19
CN([C@@H]1CCN(C1)C1CCCC1)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12	2.3
Cc1ccc(OCCCc2cccc(C#CCOc3ccc(C)cc3)[n+]2C)cc1	2.9
COC(=O)C(CCCN1CCC(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C	0.78
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3nn2)Cn2c3c1c(F)cnc3ccc2=O	60
NC1=NC(c2ccnc(C(F)(F)F)c2)(c2ccc(F)c(-c3cncnc3)c2)c2cccc(F)c21	16
COc1cccc2[nH]c(cc12)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O	22
O=C(C1CCS(=O)(=O)CC1)N[C@H](c1ccc(cc1)F)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cc(F)cc2	10
COc1cc(OC)cc(c1)C(=O)NCC1(CCN(CC2=Cc3ccccc3OC2(C)C)CC1)C#N	4.7
CCCCc1cc(OC2CCN(CCCCS(=O)(=O)NCCC)CC2)c2ncccc2c1	0.0955
Cn1ccc2cc(ccc12)C1(Cc2ccccc2)CCNC1	7
CCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1	3.7
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4cccc(C#N)c4)C3C2)n1C	0.7943
C[C@@H](O)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12	4.55
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(=O)N(C)C	16
Cn1cc(-c2ccc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)n2)cn1	5.3
CCc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1	0
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cn[nH]c1	3
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cccc(C(N)=O)c1	2.8184
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)C1CC1	30
CN[C@H]([C@H]1[C@H](O)CC2([C@]1(C)CCC13[C@H]2CC[C@@H]2C3(C1)CC[C@@H](C2(C)C)NC)C)C	19.7
NC1=NC2(CO1)c1cc(ccc1OC(CCC(F)(F)F)C21COC1)-c1cncnc1	10
CCSc1ncccc1C(=O)N1CCC(C1)NCc1cncn1Cc1ccc(cc1)C#N	14
CNC1CCC(CC1)c1c[nH]c2c1cc(cc2)NC(=N)c1cccs1	39
Fc1ccc(cc1)C1CC(=NN1C(=O)Nc1cccc(F)c1)c1ccc(Br)cc1	10
Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1	32
COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C	5.1
CCC(CC)COc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12	2.1
Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1	10
Clc1cc(Cl)cc(c1)N1CCC2C1CN(C2)CCCSc1nnc(n1C)c1ocnc1C	0.1
CNCc1cc(F)ccc1Oc1ccc(C)c(C)c1	20
O=C(N1CC(C1)Oc1ccc(CN2CC3(COC3)C2)cc1)c1nnc(o1)-c1ccccc1	28
FC(F)(F)c1ccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccccn2)cc1	8
NC1=NC2(CO1)c1cc(Br)ccc1OC(Cc1ccccc1)C21COC1	8.95
CN(C[C@H]1CCc2c(C1)ccc(c2)NC(=O)c1ccc(cc1)c1ccc(cc1)F)C	1.4
Clc1c2[nH]c(-c3ccccc3)c(c2ccc1)[C@@H]1C[NH2+]CC[C@@H]1F	2.1
COc1cc(-c2cn(C3CCc4ccccc4N(CC(F)F)C3=O)nn2)ccc1-n1cnc(C)c1	8.96
CS(=O)(=O)c1ccc(cc1F)C(CC1CCCC1)C(=O)Nc1nccs1	23
Nc1ncccc1C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O	50
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1C1CCCCC1	0.2951
CN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1	2.3
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nc(C)no3)nc2cc1Cl	0.38
Brc1ccc(cc1)N(C1CCN(Cc2ccncc2)CC1)C(=O)NCc1ccccc1	2.3
Cc1ccc(S(=O)(=O)N/N=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1	43.62
O=C(NC1CN(C1)C1CCC(CC1)(O)c1ccns1)CNc1ncnc2c1cc(cc2)C(F)(F)F	28.4
CN(C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12	23.07
CCC1C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(CO)c(Cl)c3)CC2)C(=O)O1	28183.8
CN1CCC(COCc2cc(cc(n2)C2(F)CC2)C(F)(F)F)(CC1)c1ccc(F)cc1	4.3
CC(NS(=O)(=O)c1cc(c(cc1F)Cl)C(=O)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1cccc(c1)F)C	13
N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3c(Cl)c[nH]c23)n1	20
CN1CCC(COCc2cc(cc(C=C(C)C)n2)C(F)(F)F)(CC1)c1ccc(F)cc1	18
COCc1cnc(N2CCC([C@H]3C[C@H]3CCOc3cc(F)c(CC(=O)N4CCC4)c(F)c3)CC2)nc1	12
Cn1c(SCCCN2C[C@@H]3[C@](C2)(C3)c2ccc(cc2)OC(F)(F)F)nnc1c1ocnc1C	0.2
CNCCc1sc2c(c1C(c1ccccn1)C)cccc2	6.5
Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1cccnc1	2.17
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1	1.2
Clc1ccc(cc1)C(CS(=O)(=O)N)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	33.3
CC(C)Oc1cc([C@@](Cc2ccccc2)(NC[C@H](O)C(F)(F)F)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F	12
O=C(Nc1cccc2ccccc12)NS(=O)(=O)c1ccc(OCCCN2CCCC2)cc1	100
O=C(NC1CN(C1)C1CC[C@](CC1)(O)c1cncs1)CNc1n[nH]c2c1cc(cc2)C(F)(F)F	50
Cn1c(N2CCC(C)(CN)CC2)nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O	0.98
c1ccc(C2=Nc3ccccc3C2C2CCN(c3ccccc3)CC2)cc1	0.0794
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@@H](CC2)C2CCCCC2)c2cc(ccc12)C(F)(F)F	3.1
CC(C)Cc1ccc2nn(C)cc2c1NS(=O)(=O)c1ccc(CCCOC[C@H]2CN(C)CCO2)cc1	6.7
Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C#N)OC1=O	1.5849
Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	5.4
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3nc4ccc(Cl)cn4c3CC2)n1C	1.58
OP(=O)(O)C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3	14.4544
COCC1CCCN1S(=O)(=O)c1ccc(cc1)c1ccc(cc1)CCN1CCCC1C	1.9
C1Cc2c(CN1)[nH]c3ccccc23	23.9883
Cc1ccncc1-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(C(N)=O)cnn2c1	18
CC(O)(C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1)C(F)(F)F	0.6
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(/C=C/CN2CCN(C(C)C)CC2)cc1	1
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3CC3CCCCC3)CC2)cc1	0.0033
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1	12.5892
OCCOc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	29.7
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(F)c(F)c1	12.2
CNc1nn2c3CCN(C)Cc3cnc2c1S(=O)(=O)c1ccccc1	54.2
O=C(NC1CC1)c1cn(-c2cccc(c2)-c2cccnc2)c2ncccc2c1=O	34
COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)[nH]n1	24.2
Nc1n[nH]c(N2CCC(N3C[C@@H](O)C[C@@H]3Cc3ccc(Cl)cc3)CC2)n1	13.2
O=C(N1Cc2ccccc2C1)N1CCC[C@H]1CN1CCCC1	28.4615
CC(NCC(c1ccc(c(c1)O)O)O)C	30
COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24	3.8905
COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(CC2=Cc3ccccc3OC2(C)C)CC1	13.8
COc1ccnc(c1)-c1nnc2CN([C@@H](C)Cn12)C(=O)c1cccc(Cl)c1Cl	10
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=C)CC[C@@]36O	19.9526
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(Cl)c1	5.8
FC(F)(F)c1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1	0
O=C(N1CCC(CC1)CNc1cccnc1)OCc1ccccc1	2.3
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1Cl)C(O)=O	60
COCC1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1	1.9
CCCCN(CC)C/C=C/c1ccc(Cl)cc1	1.05
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1noc2ccc(cc12)C(F)(F)F	5.6
CN(CCC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)C(=O)c1c[nH]nn1	8.6
O=C(c1ccccc1C(C)C)N(C1CNCC1)CC1CCC1	18.2
COCC1CCCN1N1CCN(C1=O)c1cccc(c1)Cl	5.01
COCCN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1	2.8
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1	2.5
CC(C)CCOc1ccc2N[C@H](C3CCOCC3)[C@@H]3CCCO[C@@H]3c2c1	10
Cc1ccc(-c2cc3ncn(C)c(=O)c3c(NC[C@H]3CCCNC3)n2)cc1	25.1189
Cc1cc2ncc3c(n2n1)CN([C@H]1CO[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3	6.4
CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C	19.5
COc1ncc(cn1)-c1ccccc1C(F)(F)CNC(=O)c1ccc(COCC(F)(F)F)nc1	19.9526
COc1ccc2ncc(F)c([C@@H]3OC(=O)O[C@H]3C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	4.9
CC(N(Cc1ccc(c(c1)Cl)Cl)CC1CNC1)C	5.5
Cc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1	31.6
C1CCN(CC1)[C@H]([C@@H](N1CCCCC1)c1ccccc1)c1ccccc1	31.6
N[C@@H]1CCCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(n1)Nc1cccc2c1[nH]cc2C	8.2
NC1=N[C@@]2([C@H](C(S1)C)CC(OC2)c1onc(c1)C)c1ccc(cc1F)F	2.1
CC1=N[C@](Cc2ccccc2)(N=C1N)c1cccc(c1)-c1cncnc1	33
Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccs1	3.5
COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2c(C#N)c(N3CCCNCC3)n(CC=C(C)C)c2c1=O	1.1
O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	1
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O	0.0501
CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccncc3)cc12	0.62
Cc1ncncc1-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1	10
CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(Cl)cc1	1.3
C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCC(N)=O)(c2ccc(F)cc2)OC1=O	6.3
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(c2nnc(C)s2)c2ccccc2)C(C)(C)C1	10
COc1cccc2nc(ccc12)C#Cc1cccnc1	65.3
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1ccccc1	30
CNS(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1	30
C[C@@H]1OCC2(CCN(c3nc4[nH]nc(-c5cccc(Cl)c5Cl)c4c(=O)n3C)CC2)[C@@H]1N	0.29
O=C(NC1CCN(C1)CCC1CCN(CC1)C(=O)c1cc(F)ccc1F)CNC(=O)c1cccc(c1)C(F)(F)F	10
CCNS(=O)(=O)c1ccc(cc1)c1ccc(cc1)CCN1CCCC1C	3.4
OC(=O)c1cccnc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	31.6
CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1	1.69
Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCOCC1	18.9
CNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	1.9953
NC1=N[C@]2(COCC[C@H]2CS1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F	0.5
Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12	0.7
CC(CC(C)(C)C)N1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	2.2
CO[C@@H]1C[C@@H]2C[C@H](C[C@@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC	50
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CO)c1ccc(Cl)cc1	100
NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CCCNC(=O)CCc1c[nH]c3ccccc13)C2	20.1
O=S1(=O)CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	0.1
COc1ccc2[C@@H](C(C)C)N(CCc2c1)C(=O)CNCC1(O)CCCCC1	100
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O	22.9087
FC1CCN(C1)C(=O)C(C(C(=O)N(C)C)C1CCC(CC1)N(C(=O)C)C)N	90
Cc1ccc(cc1C)C1CCN(CC1)CCC1CCOc2c1cccc2	0.02
OC(=O)CCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	60
CC1(NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1)C(F)(F)F	30
CCc1c(CC)n(C)c2CCCC(=NOC(=O)Nc3ccccc3)c12	30
COc1cc(C=Cc2nc(N)nc(n2)Nc2ccccc2)ccc1n1cnc(c1)C	0.3
Cc1cc(C)n(CC(NC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c2ccccc2)n1	2.8
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCS(N)(=O)=O)c1ccc(Cl)cc1	33.3
Cc1c2CCCN3CC[C@@H](C3)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12	0.4
Cc1noc([C@H]2C[C@@H]2C(=O)NCc2ccc(-c3cccc(OC(F)(F)F)c3)c3c2CN(C(=O)NC(C)(C)C)CC3)n1	2.34
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)-c1ccccc1)C(F)(F)F	3.8
COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4sc(C)nc4C)nn3c(N)nc12	60
O=C(CN1C(OC(C1=O)(C)CC(F)(F)F)c1cccc(c1)Cl)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C	45
CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@@H]([C@@H]2O)N(C)C)[C@@](C[C@@H](C(=O)[C@H]([C@@H]2[C@@]1(C)OC(=O)N2C1CN(C1)Cc1ccnc2c1nccc2)C)C)(C)OC	196
CC(c1ccc(cc1)CS(=O)(=O)c1ccc(cc1)C12CNCC2C1)C	3.2
CN(C)CCN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2	8.23
CCOC(=O)C1CCN(CCCOc2ccc(cc2)S(N)(=O)=O)CC1	76
OC(=O)c1cccc(c1)C1CCN(CC1)C1CCC(C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	2.79
CC#CCn1c(N2CCC[C@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12	28.2
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)C1CC(CCNC1=O)C(F)(F)F	30
CN1[C@@H]2CC[C@H]1CC(C2)OC3c4ccccc4CCc5ccccc35	9.7724
CNCCN(C)c1cc(OC)c(Nc2nccc(n2)-c2cn(C)c3ccccc23)cc1NC(=O)C=C	33
Cc1nc(sc1C)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N	100
OCCn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccc3OCOc3c2)c2cc(ccc12)C(F)(F)F	7.6
C[S+]([O-])c1ccc(-c2cnc3ccc(Nc4cccc([S+](C)[O-])c4)nn23)cc1	18.2
CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1	3
Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3	22.9087
OCCn1nc(c(c1CC)Oc1cc(C#N)cc(c1)C#N)CC	400
CC(=O)Nc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1	23.85
NCC(=O)N1CCn2c(C1C(C)C)nc(c2Nc1ccc(c(c1)Cl)F)c1ccc(cc1)F	14
CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1	30
COC[C@H](C)Oc1cc(Oc2ncc(C(=O)N3CCC3)cc2Cl)cc(C(=O)Nc2cnc(C)cn2)c1	18
O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1	18
OC(CN(CCc1ccc(c(c1)Cl)Cl)C)COc1ccc(cc1)NS(=O)(=O)C	0.37
Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5cccc6cnc(C)cc56)n4C)CCc3c2)n(C)n1	1.9953
OC(=O)[C@H]1C[C@@H]1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	36.7
O[C@H](CNC(=O)c1cn[nH]c1C(F)(F)F)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	3.1623
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)nc1	10
FCCN(Cc1ccc(cc1)C=CC(=O)NO)CCc1c(C)[nH]c2c1cccc2	5.77
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12	12
C[n+]1c(CCc2ccccc2)cccc1CCc1ccccc1	0.466
O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCC1	10
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(OCC(F)(F)F)nc1	7
COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1	2.9
Cn1cnc(c1)C(=O)N(Cc1cccc(c1)OC(F)(F)F)CC1C2C1CN(C2)CC1CC1	0.53
Nc1nc(N2CCC(N3Cc4cc(Cl)ccc4OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n[nH]1	6.7
CCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C	20.7
Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1	53.4
COc1ncc(cc1F)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1	25.1
COc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1	24
CCCCCCCN(CC)CCCCc1ccccc1	0.506
C[C@H](Nc1ccc2ncn(-c3cc([nH]n3)C3CC3)c2n1)c1ncc(F)cn1	32
ONC(=O)C=Cc1ccc2c(c1)CN(C2)C(=O)Cc1ccccc1	30
O=C1c2ccccc2C(Cc2ccnc(F)c2)(Cc2ccnc(F)c2)c2ccccc21	32
Cc1nccn1c1ncnc(c1)N1CCC(CC1)CNS(=O)(=O)N	10
O=C1OCc2c1ccc(CCN1CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC1)c2F	31
Cc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1	8.1
CCOc1cc(CN2CCC(C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc(OCC)c1-c1ccc(F)cc1	0.22
CC(C)NC(=O)NS(=O)(=O)c1ccc(OCCN2CCCC2)cc1	100
COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1F	0
O=C(CCCC(=O)c1cccc([N+](=O)[O-])c1)NC1CCCC1	20.38
OC(CN(Cc1ccccc1)CCc1ccc(c(c1)Cl)Cl)COc1ccc(cc1)NS(=O)(=O)C	0.43
Clc1cc(c-2c(c1)\C(\c1cc(Cl)ccc1-2)=C\c1ccc(Cl)cc1)[C@@H](O)C[NH+](CCCC)CCCC	8.1
COc1ccc(cc1)C1CN(CC1CNC(=O)c1cccc(c1)Cl)CCc1cccc(c1)OC	0.047
Fc1ccc(CCN2CCN([C@H]3CCc4cc(Cn5ccnc5)ccc4C3)C(=O)C2)cc1	4
FC(F)(F)COc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cn1	16
CC(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1	38
CC1CN(CCc2ccc(cc2)[N+]([O-])=O)CCN1CCc1ccc(cc1)[N+]([O-])=O	0
Cc1ncoc1-c1nnc(SCCCN2CCC3CC3(CC2)c2ccc(cc2)C(F)(F)F)n1C	1.5849
FC(F)(F)c1ccc(N2CCN(Cc3ccccn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1	0.3
COc1nc2ccc(Cl)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12	6.9
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(Cl)c1	2.9
CN(CCc1ccc(cc1)[N+](=O)[O-])CCOc1ccc(cc1)[N+](=O)[O-]	0.0031
O[C@@H]1CCCC[C@@H]1CNC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	3.96
FC(F)(F)COc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1	25.1
CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O	7
Cc1c(Cl)c(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1	50.1
CC(=O)SCC(=O)c1ccc(nc1)NS(=O)(=O)c1ccc2c(c1)COOC2	30
CCCCNc1nc(N)nc2c1CN(C(=O)c1cccs1)CC2	0.9
F[C@H]1CCN(C1)C(=O)[C@H]([C@H](c1ccc(cc1)c1ccc(cc1)F)C(=O)O)N	76
CN1[C@H]2CC[C@@H]1Cc1sc(NC(=O)Nc3ccc(Cl)cc3)c(C(N)=O)c12.Cl	5.6
O[C@H](CNC(=O)n1c2ccccc2[nH]c1=O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	0.5
O(C(=O)C=1[C@H]2[NH+]([C@H](CC=1)CC2)C)C	169.8201
Cc1c(cc(-c2cccnc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl	6.8
CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1	1.6
Cc1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccccn2)n1C.Cl.Cl.Cl.Cl	1.7
OC(COc1ccc(cc1)NS(=O)(=O)C)CNCCOc1ccc(cc1)n1cncc1	0.4
CN1CCCN=C1COC(=O)C(O)(C2CCCCC2)c3ccccc3	43.6516
CC1=NC(C)(N=C1N)c1cccc(c1)-c1cccnc1	33
O=C(N)[C@@](CC[NH+](C(C)C)C(C)C)(c1ccccc1)c1ncccc1	92
O=C(C(C(C(=O)N1CCC(C1)(F)F)N)C1CCC(CC1)c1ccc2n(c1)ncn2)N(C)C	90
Cc1ccc(Cn2cnc(=O)c3cc(Oc4ncccc4C(F)(F)F)ccc32)c(F)c1	14
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-c3cccc4C(=O)OCc34)CC2)cc1	0.1
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2ncc(cc2Cl)C#N)CC1	10.85
CC(C)(C)Oc1cccc2nc(N)nc(N)c12	20.2
O=C(C1=CC(=O)c2c(C1)cccc2)NC1CCN(CC1)Cc1ccc2c(c1)OCO2	6.7
COc1ccc2nc(OC)cc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0
CN([C@@H]1CCN(Cc2nc3ccccc3s2)C[C@@H]1F)C(=O)Cc1ccc(cc1)S(C)(=O)=O	16
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)C(=O)NO)c1ccccc1	79.4
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)NCC(N)=O	46.8
NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)Nc2ccccc2)c1	0
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C(F)(F)F)n2CCOCc12)c1ccc(nc1)C(F)(F)F	10
C[C@](O)(COc1ccc(F)cc1)C(=O)N1CCc2c1cccc2C#N	100
CSc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N	0.46
CS(=O)(=O)NC(=NC(=O)c1nc(Cl)c(N)nc1N)Nc2ccccc2	4.4668
CNCCCC1c2ccccc2C=Cc2c1cccc2	1.18
CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)CC1.Cl.Cl	24.6
COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	37
O[C@@]1(CC23CCC(CC2)(CO3)NC\C=C\c2ccccc2)Cn2c3c1c(F)cnc3ccc2=O	0.064
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3c(OCCS3(=O)=O)cn2)Cn2c3c1c(F)cnc3ccc2=O	60
COc1ccccc1-c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C	0.4
CC(=O)c1nn(-c2ccccc2)\c(=N\c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)s1	32.6
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC2CC2)n1	7
CN1CCCC1c1cccnc1	245.4709
CNCc1ccc(Cl)cc1Oc1ccc(C)c(Cl)c1	1.06
O=C1COc2ccccc2N1CCN1CCC(CC1)NCc1cc2OCCOc2cn1	20
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc[nH]n1	40
Cc1ccc(cc1C)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1	25
COc1cccc(-c2cc3c(N[C@@H]4CC[C@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)c1	7.2
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1	19.7
CC(C)c1c(CNC2CCCC2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1	9.9
CN1CCN(CC1)C(c2ccccc2)c3ccccc3	17.7828
COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)F	10
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)OCC=C)c2c1	7.4
Cc1ccc(C(=O)Nc2ccc(CN3CCC4C=NNC4C3)c(Cl)c2)cc1C#Cc1cnc2cccnn12	5.02
CCCCN1CCC[C@H]1Cn1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2	0.016
COC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O	80
Cc1cccc(CCN2C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c3ccccc3C2=O)n1	6.6
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3ccc4nc(oc4c3CC2)C(F)(F)F)n1C	1
CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCN[C@H](C)C1	1.4
Fc1ncc2c(c1)CO[C@@]12CCN(CC1)Cc1ccc(cc1)[C@](c1ccc(c(c1)F)F)(O)C	0.53
CC(=O)N1CC2CC1CN2CCc1ccc(Oc2nc3ncccc3s2)cc1	10
Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4sccc34)CC1)CCCC2(F)F.Cl	5.8
C(CC(c1ccccc1)c1ccccc1)NCCc1ccccc1	2.79
COc1ccc(cc1)-c1noc(CSc2nnc(C)n2-c2ccc(OC)cc2)n1	30
CCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12	8.1
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CCc2c1C)C(CO)CO	12.8825
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc2ccccc2o1	8.2
O=C(C(n1c(nc2c1cc(F)c(c2)F)c1ccc(cc1)Cl)C1CCCCC1)Nc1ccc(cc1F)c1nnn[nH]1	10
Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)cc2)c(C)n1	2.2
Clc1cc(Cl)cc(CNC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(Br)cc2)c1	0.061
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCN(C)CC2)c(F)c1	33
O=C(c1ccccc1)N1CCc2oc(-c3ccc(F)cn3)nc2C1	64
Cc1nnc(n1C1CC2CCC(C1)N2CCC(c1ccccc1)CNS(=O)(=O)c1ccccc1)C(C)C	10
CN1C2CCCC1CC(C2)NC(=O)c1cccc2c1nc(o2)C1CC1	0.2
F[C@H]1CCN(C1)C(=O)[C@H]([C@H](c1ccc(cc1)c1cccc(c1)c1[nH]oc(=O)n1)C)N	28
COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21	10.8
FC1=NN([C@H](C1)c1ccc(cc1)c1ccc2c(c1)oc(=O)[nH]2)c1ccc(cc1)C(=O)O	30
Cc1cnn(C)c1-c1cccc([C@H](CC(=O)O)CN2CC[C@@H](CCc3ccc4c(n3)NCCC4)C2)c1	31.6228
Cn1c(SCCCN2CC3CCN(c4ccc(C#N)cc4)C3C2)nnc1-c1cnccn1	0.25
CCn1cc(cc(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1	15
COc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c32)nc1OC	0.7
O=C(N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O)c1ccc[nH]c1=S	11
FC(F)(F)c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1	10
CCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C.Cl	758
C[C@](N)(CF)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1	14
Cc1noc(n1)C(=C\c1cccc(c1)-n1cc(C(=O)Nc2c(Cl)cncc2Cl)c(=O)c2cccnc12)\c1ccc(cc1)S(C)(=O)=O	0.68
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(cc1)-n1ccnn1	19
OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO	80
Cc1onc(c2ccccc2)c1c3ccc(cc3)S(=O)(=O)N	13.8038
Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1	8.25
CC/N=C(\N1CCCc2c1ccc(c2)C1=NN(C(=O)SC1)C)/c1ccc(cc1)NS(=O)(=O)C	0.5
Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1	0
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3cccnc3)C(=O)c3ccccc23)cc1	5.5
Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCCN2)c(Cl)c1	30
CN(CCc1sc2c(c1C(c1ncccc1C)C)cccc2)C	0.91
O=C1N(C[C@H](N1C1CCN(CC1)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)c1ccccc1)C1CCOCC1	40
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C4CC(c5cc(F)cc(F)c5)C4)C[C@@H]3C(=O)O)c2c1	14.1
O=C(CCCCCCC(=O)Nc1ccccc1)NOC(c1ccccc1)(c1ccccc1)c1ccccc1	96.22
CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN	13.4
CC(C)Oc1nc(C2CCNCC2)ncc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1	0.4
Cc1ccccc1C(=O)N(C1CNCC1)CC1CCC1	20
Cc1cnnc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1	10
COc1ccc(cn1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	2.8
COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(c1)N(C)C	31.6
Cc1nc2c3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3ccc2o1	2.5
Cc1nc2c3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3ccc2o1	12.5892
CCc1nc2ccc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3c2s1	3.16
Clc1cc(ccc1)CN1CC[C@@H]([NH+](Cc2n(cnc2)Cc2ccc(cc2)C#N)CCC[NH3+])C1=O	0.48
CC#Cc1ccc2nc(OC)c(C(c3ccccc3)C(O)(CCN(C)C)c3cccc4ccccc34)cc2c1	7.9
FC(F)(F)c1ccccc1CN([C@H]1CCNC1)C(=O)C1CCC1	7.5
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(N)=O)n1	17
CCN1CCc2cc3nc(N)sc3cc2CC1	29
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN1CCCC1)cccc2	0.05
C(CN1CCCCC1)Nc1cn(Cc2ccccc2)nn1	10
Nc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0
COc1ccc(CCCN2[C@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1	14.1
CC(C)C(=O)N1CCc2c(C1)nc(C)n2[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)c1cccc(F)c1	12
CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1	30
O[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(OC(F)(F)F)c3)c2n1	30
CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(N4CCOCC4)nc13)C2	1.4
ONC(=O)C=Cc1ccc2c(c1)CN(C2)CCc1cnn2c1cccc2	5.2
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1	4.5
Cc1nc2cc(ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F	2.6
CCCC1(CCCN1)C(=O)c1ccc(N)c(Cl)c1	10
NC[C@H](Oc1noc2ccc(-c3ccccc3Cl)cc12)c1ccccc1	23
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1	92.1
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3F)CC2)cc1	0.178
O=C(N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1)c1nnc(o1)-c1ccccc1	11
CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](C1)N1C(=O)Cc3ccccc13)C2	2.4
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccc(C#N)cc4)cc23)CC[C@]1(C)N	12
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C4CC(c5ccccc5)C4)C[C@@H]3C(=O)O)c2c1	22.3
O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)cc4)CC3)c(F)cc21	26
Fc1cccc(c1)-n1cc(NCCN2CCCCC2)nn1	5.2
O=C1CSC(c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCN(C(=O)[C@@H]4C[C@H]4c4ccc(C(F)(F)F)cc4)CC3)c2)=N1	4
NC(=O)c1cccc(c1)OC1CC2CCC(C1)N2Cc1cccs1	0.43
CCOCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1	6.1
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)OC	30
Cc1nccc(n1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O	22
OC(Cc1cccnc1-c1cccc(C(F)(F)F)c1)(c1cccnc1F)c1cccnc1F	10
Cc1cccc(c1)S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1	30
COc1cc(C=Cc2nc3c([nH]2)cccc3)ccc1n1cnc(c1)C	0.68
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3SCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O	33.6
CN(C)CCOc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O	0
C[C@]12CCCC[C@H]1C[C@@H](N1CCC[C@@H](N)C1)[C@@H]2Oc1ccc(C#N)cc1	7.7
OC1(CNCC(=O)N2CCc3ccccc3C2C2CCCCC2)CCCC1	78.6
CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1	10
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ncccc2c1	10
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F	147
COC1COCCC1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ccc(Cl)cc2C1	42.4
COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C	0.2
COc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc4c(cc2CCN1C3)OCO4	13.2
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(C[S+](C)[O-])cc2F)cn1)c1nc(no1)C(F)(F)F	28
Fc1cccc(c1)C1(CCN2[C@@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3c2cccc3)CCN(CC1)C(=O)c1cc(NS(=O)(=O)C)c(cc1Cl)F	32
Clc1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1	2.5
CC[C@H]1CN2CCC1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34	6.3096
CS(=O)(=O)NCC1CCC(CC1)Nc1sc2c(n1)c1ccccc1SCC2	10
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12	30
CO[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1	174
COc1ccc2ncc(F)c([C@H]3OC(=O)O[C@@H]3C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	11.2
O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)C1CCCCC1	19.9526
CC1(C)COCc2sc(nc12)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N	100
OC(C1CC[NH+](CC1)CCC[C@@H](O)c1ccc(cc1)C(O)(C)C)(c1ccccc1)c1ccccc1	460.0001
CCCCc1cc(OC2CCN(CCCCNS(C)(=O)=O)CC2)c2ncccc2c1.Cl.Cl	0.0199
CN(C)CCC1=C(Cc2cccnn2)c2ccc(F)cc2C1	0.89
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C2CCNCC2)c2cc(F)ccc12	3
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2)C1	10
C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc2[nH]ccc2c1	32
COc1cc(CCN2CCN(CC(C)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N	2.8
Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1	13.2
O=C(C1CC(Oc2ccc(F)cc2)CN1)N1CCCN(C2CCCC2)CC1	4.6
COC(=O)c1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCC3)cc1.Cl	6.5
Cc1ccc(OCC#Cc2cccc(C#CCOc3ccc(C)cc3)[n+]2C)cc1	10
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O	2.5
CC1CN(CC(N1)C)Cc1ccc(cc1)c1cccnc1C(=O)N1CCC(CC1)Nc1ccc(cc1)F	32
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC(O)c2cc(c(cn2)C#N)C(F)(F)F)CC1	7.4
CCSc1ncccc1C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O	14
CCCNS(=O)(=O)c1ccc(cc1)c1ccc(cc1)CCN1CCCC1C	1.4
O=C(N1CCC(CC1)Nc1ncccn1)OCc1ccc(cc1)C	10
Cc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1	7.9
O=C(N1Cc2ccccc2C1)N1CCN(CC1)C1CCCC1	12.2
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(CC1)C(=O)c1cccnc1)c1ncc([nH]1)C#N	10
CSc1ncccc1C(=O)N1CCC(C1)NCc1cncn1Cc1ccc(cc1)C#N	7.8
Cc1ccc2c(-c3nnc(SCCCN4CC5CC5(c5ccc(Br)cc5)C4)n3C)cccc2n1	0.1259
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2cc(O)ccc12	45
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O	0.1585
O=C(C(C(c1onc(n1)c1ccc(cc1Cl)S(=O)(=O)C)C)N)N1CCCC1	37
CC(CN(C(=O)c1ccccc1Oc1ccccc1)C1CNCC1)C	1.08
Cc1cc(C)nc(n1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1ccc(F)cc1-n1nccn1	10
CC(N1CCN(CC1)Cc1cnc(c(c1)F)c1ccc(cc1)C(=O)Nc1ccccc1N)C	31
CCCOCCn1c2cc(ncc2nc(N2CCN(CC2)[C@@H](C)[C@@H](C)O)c1=O)-c1ccc(OC)nc1	0.054
COCC[C@H](Oc1ncnc2n(ncc12)-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1	22
CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)c2)[nH]1	2.76
NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1cccc(F)c1	30
CC(N(C(=O)c1ccccc1C(F)(F)F)C1CNCC1)C	20
CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccccc21	195
CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12	3.71
CNC(C)(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F	11
OC(=O)C(F)(F)F.Clc1cccc(CN(CC2CNC2)c2ccccc2)c1Cl	1.88
CC[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1	0
Cc1cnc(NC(=O)[C@H](COC2CCC2)Oc2ncnc3c2cnn3-c2ncccc2Cl)cn1	39.8107
CCOC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1	4.2
CCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12	7.2
O=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1	0.039
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1	20
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(C)c1C	40
CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1.Cl	10
Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1	5.503
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3cc(F)c2=O	60
O=C(CN1C(O[C@](C1=O)(C)C(C)C)c1cccc(c1F)F)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C	60
CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C	1.8
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCOCC2)o1	46.3
O=C1OC2(CN1c1ccccn1)CCC(CC2)c1nc2c([nH]1)cc(cc2)OC(F)(F)F	2.5
Cn1c(SCCCN2CC3C(C2)N(CC3)c2cccc(c2)C(F)(F)F)nnc1c1nccnc1	0.1
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3F)C2)n1C	0.7586
CN1CCN(CC1)c1cccc2OC[C@H](Cc12)NC(=O)c1nn(nc1C)-c1ccccc1	7.9
CO[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O	24.5
CN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1	20
OCCCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2	58
CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(Cl)cc2)CC1=O	3.3
COC[C@H]1CCCN1CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O	0.8
Fc1ccc(cc1)C1(COCc2cc(cc(Cl)n2)C(F)(F)F)CCNCC1	20
Cc1ncc(CNC2CCN(CCn3c4cc(Oc5ccc(cc5)S(N)(=O)=O)cnc4ccc3=O)CC2)cc1C#N	100
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(CC(F)(F)F)C1=O)C(F)(F)F	31.9
OC(=O)C1CN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21	50.1
CCCCCCCN1CCC(CC1)C(=C)c1ccc(cc1)Cl	0.058
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)c1ccc(cc1)C(F)(F)F	30
C[C@@H]1NC(c2cc(Cl)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1.Cl	7.8
Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4)C3C2)nnc1C1CCCCC1	0.1
FC(c1nc(NCc2ccc3c(c2)OCO3)nc(c1)Nc1ccccc1)(F)F	135
OC1(CNCC(=O)N2CCc3ccccc3[C@@H]2C2CCCCC2)CCCCC1	98
F[C@H]1CCN(C1)C(=O)[C@H]([C@H](c1ccc(cc1)c1cccc(c1)c1nnn[nH]1)C)N	59
COc1ccc(cc1)N1CCN(CC1)CC(COc1ccc(cc1)C(F)(F)F)O	4.08
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2CN(CCOc12)C(CO)CO	6.7608
COc1cc(-c2cn(C3CCc4ccccc4N(Cc4ccccc4)C3=O)nn2)ccc1-n1cnc(C)c1	1.01
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)nc1	0.6607
CC(N1CCC(CC1)n1c(C)nnc1C(C)C)CC(c1ccccc1)NC(=O)C1CC(C1)(F)F	2.2
OC1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3c(Cl)cc2=O	60
ONC(=O)C=Cc1ccc2c(c1)CN(C2)C(=O)C(C)(C)C	30
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CC1(O)Cn2c3c1c(F)c(Cl)nc3ccc2=O	60
O=C([C@@H](c1cnc(cc1C)n1cnnn1)C)N1CCN(CC1)CCc1ccc2c(c1C)COC2=O	42
CCOC(=O)C1=C(CN2CC[S+]([O-])CC2)NC(c2nccs2)=NC1c1ccc(F)cc1Br	5.74
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1F	70
Clc1ccccc1C(=O)N(C1CNCC1)CC1CCC1	20
Cc1c(Cl)ccc(OC2CCN(CC2)C2CCN(CC2)S(=O)(=O)NC(=O)c2ccccc2)c1Cl	3.9811
O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1	6.34
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1nccc2ccccc12	7
Fc1cc(ccc1NC(=O)c1ccccc1F)-c1nnc(NCCCN2CCCCC2)o1	6.3
S(CC)c1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2n(cnc2)Cc2ccc(cc2)C#N)C1=O	14
N#Cc1cccc(Cl)c1-n1ncc2c(O[C@@H](CN3CC(O)C3)C(=O)Nc3ccc(F)cn3)ncnc21	50.1187
Cn1c(SCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1ccccc1	0.63
CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2	4.8978
Fc1cnc2c3c1C(O)(Cn3c(=O)cc2)CC12CCC(CC1)(CO2)N/C=C/c1ccccn1	0.064
CS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(c1)S(=O)(=O)C1CC1	0.4
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1cnccn1	32
O=C(NC1CCN(C1)CCN1CCN(CC1)C(=O)c1ccccc1Cl)CNC(=O)c1cccc(c1)C(F)(F)F	10
COc1cccc(CN2CCC(CNC(=O)c3cc(CC(C)C)n(n3)-c3ccccc3)(CC2)C#N)c1	1.5
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)cc1)-c1ccc(F)cc1	2.3
CN(C)c1ccc(\C=C\c2c(F)cccc2F)cc1	32.1
CNCC[C@@H](c1cccs1)Oc1ccc2c(c1)cccc2	0.3
Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(cn1)-n1ccnn1	44
O=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ncnc4c3CCNC4)ccc21	8.9
Cl.N=C(N)N/N=C/c1ccc(-c2ccc(/C=N/Nc3ccccc3Br)cc2)cc1	0.44
CN(C)c1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	22.5
c1cccc(c1=2)=[NH+]c3c(cc(Cl)cc3)NC2N4CC[NH2+]CC4	4.4668
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCOCC2)c(OC)c1	9.8
O=C1OC2(CN1c1ccccc1)CCC(CC2)c1nc2c([nH]1)cc(cc2)OC(F)(F)F	2.5
O=C(CN1C(OC2(C1=O)CCOCC2)c1cccc(c1)Cl)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C	60
CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccncc1	0
CC(=O)NC1CCN(CC1)Cc1ccc(cc1)OCCCc1ccc(nn1)c1ccc(cc1)F	10
CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3cnn(C)c3)cc12	1.2
CC(=O)Nc1cc(Nc2cc(NC3CCC3)n3ncc(C#N)c3n2)ccc1C	11
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C)ccc3ccccc23)c2ccc(C#N)cc2N(C(C)=O)[C@H]1C.Cl	35.3
Cc1c(cc(n1C)C(C)(C)C)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C	11.8
Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1	1.4
O=C1N(CC[C@@H]1[NH2+]Cc1n(cnc1)Cc1ccc(cc1)C#N)Cc1ccccc1	7.2
C1CC(CO1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1	0
Cc1ccc(-c2cc3nccnc3c(NCCCCN)n2)cc1	15.8489
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)cc1	0.8128
O=C(c1ccc(cc1)OC1CC(C1)N1CCCCC1)N1CCCCC1	30
O=c1ccc2ccc(cc2n1CCN1CCC(CC1)NCc1cc2OCCOc2cn1)C#N	42.3333
N#Cc1ccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1	2.2387
Fc1ccc(cc1)[C@@H](NC(=O)c1ccc(cc1)[S@+](C)[O-])CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cncc2	10
Cn1cc(-c2ccc(O[C@@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C3)c(C(N)=O)n2)cn1	6.8
CC(C)c1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1	18.5
CO[C@H]1C[C@@H](n2c(=O)n(C)c3cnc4cc(F)c(-c5ccc(CS(C)(=O)=O)nc5)cc4c32)C1	14
CN1CC2C(C1)C2CN(C(=O)c1ncn(c1)C)Cc1cccc(c1)OC(F)(F)F	3.8
C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1	10.5
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cncs1	50
Clc1cc2CN3CC[C@@H](NCc4cncn4Cc4ccc(C#N)c(Oc(c1)c2)c4)C3=O	0.2
Cc1ccc(-c2ncc(OC[C@H]3CCNC3)cc2-c2ccc(C#N)cc2)cc1	3.2
C[C@H](N)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2	33
N#Cc1ccc(cc1)Cn1cncc1CNC1CCN(C1=O)Cc1ccccc1	7.2
COc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1csc(Cl)c1	26
CC1=NC(N=C1N)(C1CCCCC1)c1cccc(c1)-c1cccnc1	28.8
FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N	0.16
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(n1)C(F)(F)F	3.9
Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12	30
Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1C1CCC1	8
O=C(O[C@H]1C[C@H]2C[C@@H]3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12	9
CS(=O)(=O)c1ccc(-c2ccc3ncc(-c4cccc(S(C)(=O)=O)c4)n3n2)cc1	4
O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1cn[nH]c1	30
N#CCN1CCN(C(C1)C)c1cc2[nH]c(nc2cc1Cl)SC(C)(C)C	10
CN1CCCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3	1
CN(C/C=C/c1ccc(C(F)(F)F)cc1F)Cc1ccc2c(c1)OCCC2.Cl	3.2
O=C(CCCCCN1C(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1)NO	2.2284
CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1	17.2
COC[C@@]12CN(CC)C3[C@]4(C2[C@@H](OC)[C@@H]3[C@@]2(C3C4C[C@@]([C@@H]3OC(=O)c3ccccc3)(C(C2O)OC)O)OC(=O)C)C(C[C@H]1O)OC	13.5
CNC(=O)c1ccc(cc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1	93.56
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccccc1	30
CC(=O)NCCc1ccccc1-c1ccc([C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1	0
CC1CCC(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)CC1	100
COc1ccc(-c2cc3c(N[C@@H]4CC[C@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)cc1	13.8
Cc1nc(c(s1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F)C	2
CC(C)Cc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F	12
Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1cc(F)ccc1C	0.48
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1C	20
O=C1[C@H](CCN1Cc1ccccc1)N(CCN1CCNCC1)Cc1cncn1Cc1ccc(cc1)C#N	1.1
Cc1cc(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)cc2c1C(=O)OC2	10
FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ncccn3)C(=O)c3ccccc23)cc1	16
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1	1.4
Cc1nc(CNC2CCN(CCn3c4cc(ccc4ccc3=O)C#N)CC2)ccc1C#N	5.3
CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(OC)cc12	6
COc1ccc(-c2cnn3c(N)c(-c4ccccc4)c(NC4CC(C)(C)N(C)C(C)(C)C4)nc23)cc1OC	1.2
Cc1ccc(OCC#Cc2cc(N)cc(n2)C#CCOc2ccc(C)cc2)cc1	10
CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O	31.6
CC(c1ccc(cc1)OS(=O)(=O)C(F)(F)F)C(=O)O	10
C[C@@H](C[C@@H](CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1	26
COc1cc(ccc1-n1cnc(C)c1)-c1cn(nn1)[C@H]1C[C@H](CCN(CC23CC4CC(CC(C4)C2)C3)C1=O)C(C)(C)C	0.87
CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1	6.95
Cc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1nc(C)cc(n1)C#N	4
Brc1ccc(cc1)N(C1CCN(Cc2ccnnc2)CC1)C(=O)NCc1ccccc1	13.8
COc1ccc(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C(=O)N1CCOCC1	1.3
CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12	7.5
Cc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1	2.3
Fc1ccc(cc1)Cn1c2c(nc1NC1CC[NH+](CC1)CCc1ccc(O)cc1)cccc2	0.03
CN1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3n[nH]c(N)n3)CC2)Cc2cc(Cl)ccc21	0.8
CCN(CC)CCN(C)c1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O	0
CN(C)c1ccc(-c2cc(NC[C@H]3CCCNC3)c3cccnc3c2)cn1	39.8107
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1	32.4
O[C@H](COc1ccc(cc1)C(F)(F)F)CN1CCN(Cc2c(F)cccc2Cl)CC1	13.97
C=CCOc1cc(F)c(F)cc1C1CC1CN.Cl	9.1
O=C(c1ccc(F)cc1)N1CCN(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)C(=O)C1.O=CO	19.9526
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1ccns1	28.4
COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2c1CCCC(N1CCN(CCO)CC1)C2	2.7
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)N3CCCC(C3)C(=O)N3CCCC3)CC2)c1	31
CN(C)c1ncc(\C=C\c2c(F)cccc2F)cn1	40.5
Clc1ccc(cc1)c1nnc(n1C)CCCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.04
NC1CN(CCC1c1cc(F)c(cc1F)F)c1ccncn1	26
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1nccs1	0.4467
COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCC3)c(F)c1.Cl	3.1
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(c3ccc(C(C)(C)C)cc3)C2)n1C	0.631
[2H]C([2H])(O)CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	0.16
Cc1ccc(Cc2cccc(COc3ccc(C)cc3)n2)cc1	0
NCc1ccc(-n2cc(-c3ccc4cc[nH]c4c3)c(C(F)(F)F)n2)cc1	4
COc1ccccc1c1oc2c(n1)c(ccc2)C(=O)NC1CC2CCCC(C1)N2C	0.4
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CC3(C2)CCOC3)cc1	16
NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3COCCO3)n([C@H]3CCCNC3)c2n1	0.0014
CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(cnn1)C(F)(F)F	52.8
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(OS(C)(=O)=O)cc2F)cn1)c1nnc(o1)C(F)(F)F	17
COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc12	0.2
Clc1ccc(CN(C2CC2)C2CNC2)cc1Cl	4.7
OC[C@H]1CCCN1CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O	2.3
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(Cl)c2)n1C	1.0667
CN1CCN(c2ccc(Nc3nccc(-c4sc(C5CCNCC5)nc4-c4ccc(F)cc4)n3)cc2)CC1	13.2
Cc1nn(c(c1c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F)C)C	5
Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCCC2)cc1	6.6
C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N	5
CCN(CCNC(=O)c1ccc(cc1)NS(=O)(=O)C)CC	50
Cn1cc(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)cn1	52.4
COc1ccc2c(c1)n(CCN1CCC(C(C1)F)NCc1ncc3c(c1)OCCO3)c(=O)cn2	75
C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@@](C)(O)C(F)(F)F	100
CN(CCC1CCN(CC1)c1nc2ccccc2c(c1)C(=O)NCC1CCC(CC1)CNC(=O)OC(C)(C)C)C	33
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccnc(F)c4)cc23)CC[C@]1(C)N	41
CN(Cc1nc(no1)-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1	26.1
O=C1CCc2cc(OCCCCc3nnnn3C4CCCCC4)ccc2N1	0.871
Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O	0
COc1ccc(CN(CC(=O)N2CCC(CN)CC2)c2ccc(C#N)cc2)cc1F	12.4
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccccc1	10
Fc1ccc(cc1)C(CCCCC(=O)N1CC[C@H](CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1)c1ccc(F)cc1	0.75
CCCN1CCC[C@H](C1)c2cccc(O)c2	5.3703
COc1ccc2c(n1)c(CC[C@]13CC[C@](CC1)(CO3)NCc1ccc3c(n1)NC(=O)[C@@H](O3)C)c(cn2)F	0.8
CN1CCCC1\C=C\c1nc2cc(C)c(C)cc2n1Cc1ccc(Cl)cc1	1
COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1	6.2
CCn1cc(cn1)C1(NC(Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1	27.1
Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1	0.465
CSc1ccccc1C(=O)N(C1CCNC1)C1CCCC1	18.7
C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N(C)C	25
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F	11
O=C(NC1CN(C1)C1CC[C@](CC1)(O)c1cccnc1)CNc1n[nH]c2c1cc(cc2)C(F)(F)F	36
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1F)S(C)(=O)=O	2.6
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1	0
FCCCCCCC[N+](CCCCc1ccc(cc1)Cl)(CC)CC	0.0435
Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1.Cl.Cl	6.78
CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1	30
COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC	1.9
CC(C)CNC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O	31.8
O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(OCCCCN2CCCC2)cc1	100
CCN(CC)C(=O)c1ccc(cc1)C1CC2(CCNCC2)Oc2ccccc12	5.094
CC(C)Oc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC21	1.9953
C[C@@H]1CN(CCC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl	10
COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1	25
CC(Cc1ccncc1)c1nc2cc(C)c(C)cc2n1Cc1ccc(Cl)cc1	8.8
CC(N1CCC(CC1)Nc1nc(c2ccccc2Cl)c2c(n1)N(C(=O)NC2)c1c(Cl)cccc1Cl)C	6.4
Clc1ccc(cc1Cl)[C@]12CNC[C@H]1CCCC2	3.6
CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n3c(C)nc4ccccc34)(CC2)c2cccc(F)c2)c(Cl)cc1F	12.8825
O=C(C1CN(CC1C(=O)Nc1ccc(cn1)Cl)C(C)C)Nc1ccc(cc1F)n1ccccc1=O	12
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]ccc23)c1	1
Fc1ccc(cc1)CNC(=O)c1nc2[C@H](CCCCn2c(=O)c1O)N(C(=O)C(=O)N(C)C)C	10
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(cc3)C(O)=O)CC2)c2ccccc12	100
COc1ccc(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCOCC1	5.1
Cc1nc2c(cccc2n1-c1ccc(s1)C(=O)NC1CC1)C#N	53
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1cc(N)ccn1)CC2	6165.95
O=C(NC1CC1)c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2	0.038
COc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(Cl)cc1	20
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1	4.8
O=C(N(C)C)NC1CCC(CC1)CN1[C@@H]2CC[C@H]1C[C@H](C2)Oc1cccc(c1)C(=O)N	33
CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1	4.98
COc1ccc2ncc(F)c(CC(C)(O)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1	6.1
CCN1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1	7.9
CN1CC=CCC(C1)c1cc2ccccc2o1	15
CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12	5.4
CN(C(CN1c2ccccc2Sc2c1cccc2)C)C	1.46
Cc1nc2ccccc2c(=O)n1c1ccc(cc1)OC1CCC(CC1)N1CCCC1	8
CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N	200
CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21	6
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	0.046
Cl.N=C(N)N/N=C/c1ccc(-c2ccc(/C=N/Nc3ccccc3Cl)cc2)cc1	1.14
Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@]3(C2)c2ccc(cc2)C(C)(C)C)n1C	0.3981
Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C#N)c1	5.8
CCN(CC)C(=O)c1ccc(s1)C1=CC2(CCNCC2)Oc2ccccc12	1.26
CN1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1	17.9
CC(S(=O)(=O)Nc1ccc2c(c1)[nH]c(n2)Cc1ccc(cc1)Oc1ccccc1)C	1.9
NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c3ccc(cc3[nH]c12)-c1cn[nH]c1	0.99
O1[C@@H]2[C@H]([C@H](C)C1=O)[C@H](O)C[C@]1(C2=C(C)C(=O)C=C1)C	110
CCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1	10
N#Cc1ccc(cc1)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1cccc2c1ccc(n2)C	0.63
Cc1cc(-n2cc3c(n2)CN(C(=O)c2cc(C#N)ccc2O[C@@H](C)C(F)(F)F)C3)ccn1	10
O=C(c1ccc(cn1)C(C(C)(C)C)c1ccc(cc1)OCc1ccccn1)NCC(O)(C)C	20
NC(=O)c1cnc2c(Cl)cc(-c3cccnc3)cc2c1NC1CCOCC1	1.1
ONC(=O)C=Cc1ccc2c(c1)CN(C2)CCC1CCCCC1	22
COc1ccc(-c2cc(=O)c3cc(C)ccc3o2)cc1	57.9
COc1ccc2c(n1)c(C(CN1CCC(CC1)NCc1ncc3c(c1)OCCO3)O)c(cn2)F	5
CC(N1CCC(CC1)c1nnc(o1)CN(C)C)CC(c1ccccc1)NC(=O)C1CCC1	3.1
CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4C4CCOCC4)cc3)CC2)c1	1.2
Cn1c(SCCCN2CC3C(C2)N(CC3)c2ccc(cc2)OC(F)(F)F)nnc1c1nccnc1	0.1
C[C@@H](c1ccc(-c2ccc(O)nc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1.O=C(O)C(F)(F)F	8.3
CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2ccc(cc12)C#N	33
O=C1CS\C(=N/c2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)N1c1ccccc1	45.5
Cc1ccc(s1)C(N1C2CCC1CC(C2)Oc1cccc(c1)C(=O)N)C	1.9
CN1CCC(Cn2nc(-c3ccc4cc(OCC5CC5)ccc4c3)c3c(N)ncnc32)CC1	0.9
COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCCCC2)o1	15.8
CCC1C2CC3C4N(C)c5ccccc5C44CC(C2[C@H]4O)N3C1O	1
CSc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1	8
Cc1cc(C)nc(n1)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(C)cccc1-n1nccn1	6.9
N#Cc1cccc(c1)[C@]1(O)CCC(CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F	1.5
FC(F)(F)c1ccc(O[C@H](CC[NH2+]C)c2ccccc2)cc1	0.46
O=S(=O)(Nc1cscn1)c1cc(Cl)c(OCC2NCCC=C2c2ccc(F)cc2)cc1F	10.3
FC(F)(F)Oc1cccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)c1	21
CNc1nc(NCCCN(C)C)c2sc(-c3ccc4nonc4c3)cc2n1	2
CS(=O)(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1	25
COc1cnc(nc1NCc1ccccc1F)-c1ccccn1	25
O=C(N(C)C)NC1CCC(CC1)CCN1[C@@H]2CC[C@H]1C[C@H](C2)Oc1cccc(c1)C(=O)N	33
C[C@H]1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C)CC4)[nH]n3)c2)CN1	27.4
S=C(Nc1ccccc1)Nc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1	48.4
FC1CCN(C1)c1nnc(c2c1nn(c2C)c1ccc(cc1)OCC(F)(F)F)C	0.32
O=C(CN1C(O[C@]2(C1=O)CCOC[C@H]2F)c1cccc(c1)Cl)Nc1ncc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2	19
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccccc4F)cc23)CC[C@]1(C)N	9.6
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)cc2)n1C	1.2667
COc1cc(F)ccc1-c1cncc(CNC2CCCC2)n1	16
Fc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)ccc(n2)OC1CCN(CC1)C1CCC1	0.68
COCCCS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1	11
Cc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(O[C@@H](C)CO)c2)cn1	38
Cc1c(CCC2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)ccc2c1COC2=O	5.9
CN([C@@H]1CCN(Cc2ccc(cn2)C(F)(F)F)C[C@@H]1F)C(=O)Cc1ccc(cc1)-n1cnnn1	10
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O	125.9
FC1CCC(CC1)[C@]1(O)CCCC[C@@H]1N1CCC2(CC1)[C@@H](CNC2=O)c1ccccc1	1.8
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn[nH]c1C	17.6
CC1Cc2c3cc(F)c(cc3[nH]c2C2(N1)C(=O)Nc1c2cc(Cl)cc1)Cl	30
C(N1CCN(Cc2ccccc2)CC1)c1nnc(o1)-c1ccccc1	27.3
OC(=O)C1CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21	63.1
Cc1cc(cc(C)n1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1	6.4
C[C@@]1(c2cc(CNC3(C#N)CC3)c(F)cc2F)CCSC(N)=N1	28.4
O=C(c1ccccc1C(F)(F)F)N(c1ccccc1)C1CNCC1	20
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(c2)C(F)(F)F)nn1	1.2
O=C1S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1[C@@H]1CCNC[C@H]1F	21
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1ccnn1	30
COc1cc(ccc1n1cnc(c1)C)c1nnn(c1)C1C[C@H](CCN(C1=O)CC(C)(C)C)C(C)(C)C	2.1
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C(C)(C)C1	20
CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3	6.166
CN(CCCC(=O)NCC#N)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1	33
C(CCN1CCN(CC1)c1ccccc1)CCCN1CCN(CC1)c1ccccn1	13
COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCC(F)(F)F)nc1	12.5892
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1nncs1	50
Cc1ccc(cc1)CCCC(=O)N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O	100
Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)sc1C	10
COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(C4CC(c5c(F)cccc5F)C4)C[C@@H]3C(=O)O)c2c1	45.3
C(Oc1ccccc1)C#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccccc-21	10
Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1	10
O=C(c1ccccc1C(F)(F)F)N(C1CCNC1)C1CCC1	10
O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1	0.53
CNC[C@@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O	13
N#Cc1ccc(cc1)Cn1cncc1CN(C1CCN(C1=O)Cc1ccccc1)Cc1cccnc1	0.87
CC1=C[C@@](CF)(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)O1	3.9
COC(=O)[C@H]1[C@H](CC2N(C1CC2)C)OC(=O)c1ccccc1	7.2
Clc1cccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1	7.2
COc1cc(F)ccc1-c1cncc(CNC(=O)C2CC2)c1	33
CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](COc2ccccc2)C1	5.3
CS(=O)(=O)Cc1cc(nc(n1)-c1cnc2[nH]ccc2c1)N1CCOCC1	32
CCC(=O)[C@]1(C)Oc2ccc(nc2NC1=O)CN[C@]12CC[C@](CC1)(OC2)CCc1c(F)cnc2c1nc(OC)cc2	2.4
O=C(NC1CN(C1)C1CCC(CC1)c1ccccc1O)CNc1ncnc2c1cc(cc2)C(F)(F)F	6.6
ONC(=O)C=Cc1ccc2c(c1)CN(C2)S(=O)(=O)c1cccs1	30
CC(C)(CO)Oc1ccc(C(N)=O)c(O[C@@H]2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2F)c1	35
NCCCCN(Cc1nccc2c3ccccc3n(CC(O)=O)c12)[C@H]1CCCc2cccnc12	2.7
Cc1c(C#N)cccc1[C@@H]1CN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C[C@H]2CO1	14.8
CC(C)(C)C1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1	21.05
Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(c2ccc(=O)n(C)n2)C3)ccc2c1COC2=O	36.4
COc1ccc(cc1)c1csc(n1)NC(=O)[C@H]1CCCCC1S(=O)(=O)c1ccc(cc1)C	30
CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C#N)S(C)(=O)=O)C(F)(F)F	1.2
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3c(Cl)c2Cl)Cn2c3c1c(F)cnc3ccc2=O	31.6
O=S(=O)(CC1CC1)NC1CN(c2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N2CCC2)CC3)C1	4.4
C[C@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO	11
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ccc(cc12)C(F)(F)F)c1cncs1	32.9
CC(C)S(=O)(=O)NCCN1CC2CN(C[C@H](O)COc3ccc(C#N)cc3)CC(C1)O2	1.9055
OCCN1CCC(CC1)N(C(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1	7.88
CCOc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N	0.67
CCc1nc2c(C)cc(C)nn2c1Cc1ccc(/C=C/CN2CCN(C(C)C)CC2)cc1	2.3
[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)Cc1ccc(cc1)Oc1ccccc1	0.77
CC1CCCN1CCc1ccc(cc1)c1ccc(cc1)S(=O)(=O)NC1CCOCC1	12.8
NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)cc3)[nH]c12	6.7
CC(C)n1c(CNC2CCCC2)nc(C)c1-c1ccc(Cl)cc1	3.2
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccc2nc(nn2n1)C(F)(F)F	8.1
COc1cnc(OC)c(C(O)(CCN(C)C)C(c2cc3cc(Br)ccc3nc2OC)c2cccc(OC)c2F)c1	2.9
COc1ccc(cc1C(F)(F)F)[C@@]12CN(C[C@H]2C1)CCCSc1nnc(n1C)c1ocnc1C	1.26
NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2F)N1	12.5892
COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC.Cl	1.4
[O-][S@@+]1CC[C@H](CC1)C(=O)N[C@H](c1ccc(cc1)F)CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2	10
CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1	4.3
C(CN1CCOCC1)Nc1cn(nn1)C12CC3CC(CC(C3)C1)C2	10
Cc1cccc(Nc2nc(NC[C@@H]3CCCN3)ncc2C(N)=O)c1	1
Nc1nc2cc3CCNCCc3cc2s1	33
CC(=O)N1CCN(CCOc2ccc(C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1	2
C[C@@]1(c2cc(CNC3CC3)c(F)cc2F)CCSC(N)=N1	49.2
O=C(NC1CN(C1)C1CC[C@](CC1)(O)c1ccc(nc1)C)CNc1n[nH]c2c1cc(cc2)C(F)(F)F	27
Oc1csc(=O)n1CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F	8.5
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(NC(C)=O)cc1	1.3
Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O	10
FC(F)(F)Oc1ccc(CNC(=O)C2N([C@H]3CC[C@@H](CC3)C#N)C(=O)c3ccccc23)cc1	33
CN1CCC(COCc2cc(cc(n2)N2CCC(C2)C#N)C(F)(F)F)(CC1)c1ccc(F)cc1	8.3
O=C1COc2c(N1)nc(cc2)CNC12CCC(CC1)(OC2)CCc1c(F)cnc2c1nc(OCC1CC(C(C1)O)O)cc2	2.7
o1nc2c(n1)cccc2[C@@H]1C(C(OC(C)C)=O)=C(NC(C)=C1C(OC)=O)C	50.1187
CC(N1CCC(C1)N(C(=O)c1ccc(cc1)n1c(C)nc2c1cccc2)C)C	45
CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(OCCCN3CCCC3)cc2)cc1	100
COc1cc(ccc1n1cnc(c1)C)c1nnn(c1)C1C[C@H](CCN(C1=O)CC(F)(F)F)C(F)(F)F	31.9
COc1ccc(cc1)[C@H]1CN(CCCC2CCNCC2)C[C@@H]1CNC(=O)c1cccc(Cl)c1	20.3
CN(C)C(=O)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1ccccn1	18
COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(n1)C(F)(F)F	4.9
Clc1cc(ccc1)CN1CC[C@@H]([NH+](Cc2n(cnc2)Cc2ccc(cc2)C#N)CC[NH+]2CC[NH2+]CC2)C1=O	1.1
Nc1ncc(cc1-c1ccc(nc1)C(F)(F)F)-c1ccc(cc1)C(=O)N1CCOCC1	20.2
CC(C)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1	18.2
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC(=O)N(C)C)CC1	12
Clc1cc(Cl)cc2c1cc(c1c2cc(cc1)C(F)(F)F)[C@@H](O)CCNCCCC	0.0717
Cc1cnc(Nc2ccnn2C)nc1-c1cn2c(n1)C(=O)N(Cc1ccc(F)c(F)c1)CC2	23
COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1	34
CC1(COc2ccc(OC(F)(F)F)cc2)CCn2cc([N+](=O)[O-])nc2O1	3.8
N#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)cc1Cl	67
CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2	1.7783
CC#Cc1cncc(c1)-c1cc2c(OCC3(CC3)C22COC(N)=N2)cc1F	4.3
Cc1cccc(Nc2nc(N[C@@H]3CCCNC3)ncc2C(N)=O)c1	2.5
CC1(C(=O)N2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)C2)COC1	2.5
COc1ccc2c(c1)nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O	10
COc1cccc(NC(=O)c2cnc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)s2)n1	4.8
COc1cccc(c1)-c1cccc(c1)C1(C)N=C(C)C(N)=N1	16.7
Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1	0.0794
C[C@H]1Cc2c([nH]c3cc(Cl)ccc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21	30
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ccccc2s1	7.9
Clc1ccc(NC(=O)N2CCN(CC2)C(=O)[C@H]2CN(CCN2)C2CC2)cc1Cl	19
CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	10
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(=O)n(C)n2)C3=O)ccc2c1COC2=O	21.6
Fc1cc(F)cc(c1)c1nnc(n1C)CCCCN1CC2[C@@](C1)(C2)c1ccc(cc1)C(F)(F)F	0.63
Cc1cc(C)n(Cc2ccc(C(=O)NCC3(c4nc(-c5ccccc5)cs4)CCOCC3)cc2)n1	44.9
C[C@H]1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1ccc(F)cc1	10
NC1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	50
O=C1OC(CC)[C@](O)(C)[C@H](O)[C@@H](C)[C@@H]([N+])[C@H](C)C[C@@](O)(C)[C@H](O[C@H](O[C@H](C)C[C@H]([N@@H+](C)C)[C@@H](O)2)2)[C@@H](C)[C@H](O[C@H](O[C@@H](C)[C@H](O)[C@@](OC)(C)C2)2)[C@@H](C)1	273.9
Cc1ccc(CCOCCCc2cccc(CCCOCCc3ccc(C)cc3)[n+]2C)cc1	0.371
CC1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1	14.75
C1CCN(C1)[C@H]([C@@H](N1CCCC1)c1ccccc1)c1ccccc1	31.6
CCN(CC)C(=O)c1ccc(cn1)C1=CC2(CCNCC2)Oc2ccccc12	44.1
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CC1)OCc1ccc(Cl)cc1Cl)N(O)C=O)c1ncc(F)cn1	8
O[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F	30
CN(CCN1CCN(C1=O)c1ccc(F)cc1)C[C@@]12CC[C@@H](CC1)C2(C)C	3.16
CC(=O)NC1CCN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1	31.6
CCOC(=O)CNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1	0.9
O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13	0.2
Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl	30.8
Fc1cc(ccn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1	1.7647
COc1cc(ccc1n1cnc(n1)C)c1nnn(c1)[C@@H]1CCc2c(N(C1=O)CC(F)(F)F)cccc2F	15
CSc1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1	20
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(C#N)c(Cl)c1	10
CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1	20
O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1	7
CC(C1(CCC(C1)N1CCC(CC1)c1ccncn1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	0.13
COC(=O)c1ccc(cc1)CCCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O	0.3
Cc(c1)sc(c12)Nc3c(cccc3)N=C2N4CC[NH+](C)CC4	0.181
FC(F)Oc1ccc(cc1OC(C)C)[C@@H](C=1C=NC(=O)CC=1)C=1C=C[C@@H](NC=1)C(O)(C)C	55.9
CN1CCCC1CCc1nc2cc(C)c(C)cc2n1Cc1ccc(Cl)cc1	0.3
COc1ccccc1CC(N1CCNCC1)c1ccccc1F	40.1
C[C@H]1CN(CC[C@H]1Nc1c(cnc2[nH]ccc12)C(N)=O)c1ccc(cn1)C#N	28.7
Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1	2.25
NC(=O)c1ccn(-c2cccc(OC(=O)NCCN3CCN(c4ccccc4)CC3)c2)c1	5.3
Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3cccc(F)c3)C[C@@H]2C1	15.4
CCn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)cc3)cc(O[C@@H](C)CO)c2)n1	54
CCOC(=O)C1=C(CN2CCOCC2)NC(n2cncn2)=NC1c1ccc(F)cc1Br	0.7
COc1cc(Nc2nc3n(cnc3cc2F)[C@@H](CO)c2ccc(F)cn2)[nH]n1	32
Cc1ccc(cc1)-c1nc(C)c(Cl)c(OCCCN2CCCCC2)n1	0
Cn1c(SCCCN2C[C@@H]3[C@](C2)(C3)c2cccc(c2)OC(F)(F)F)nnc1c1ocnc1C	0.63
Cc1nc(C(N)=O)ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3)C2)n1C	2.7542
CNS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	63
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(c(C)n3)-c3ccccc3C#N)[C@H]12)C(N)=O	60
CN(C)C(=O)C(CO)N(C)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O	25
OC1CCN(CC1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1	45
N#Cc1cnccc1COc1cnc(N2CC3CCC(C2)N3C(=O)OCC(F)(F)F)nc1	13
CC(C)(N)c1nc(-c2cccc(OC(F)(F)F)c2)c[nH]1	9
o1c(ccc1C)-c1nc(NC(=O)CCN(C)C)cc(n1)-n1nccc1C	0.65
O=C(Cc1ccccc1)NCCN(c1ccccc1)c1ccccc1	7.86
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCCOc3c2)CC1	0
CCCCCCCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1CO	12.87
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(OCCN2CCCC2)cc1	100
CN1CCC(CNc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1	1.9
Cc1cccc(Nc2nc(NC3CNC3)ncc2C(N)=O)c1	1.5849
Clc1c(OCCNCc2cccs2)ccc2c1cccc2	10
COc1cccc(c1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1	21
Fc1ccc(cc1)[C@@H](NC(=O)c1ccc[n+](c1)[O-])CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1ccc(c2)F	5.24
O=C(c1cccc(c1)S(=O)(=O)N)N1CCC(CC1)(CCN1[C@@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2c1cccc2)c1ccccc1	63
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F	10.9648
COc1cc(OC2CCNCC2)ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12	4.8
C[S+]([O-])c1cccc(-c2ccc3ncc(-c4cccc([S+](C)[O-])c4)n3n2)c1	8.45
Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2cnn(C)c(=O)c2)C3=O)ccc2c1COC2=O	12
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(C)=O)nc2cc1Cl	10
CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(Cl)c2)CC1	6.3
Clc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1	0
COc1ccc2ncc(C)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	1.06
Cn1c2CCC(Cc2c2cc(ccc12)C(=O)NCCCC(=O)NC1CC1)C1CCOCC1	31
CN(C)CCNC(=O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2ccccc2[nH]1	12.5892
COc1ccc(cc1)CN1CCC(CC1)NC(=O)C1=CC(=O)c2c(C1)cc(cc2)F	5.4
C(CNCCN(c1ccccc1)c1ccccc1)Cc1ccccc1	0.58
Nc1c(cnc2ccnn12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1	300
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(NC)o1	1.1
N#CC1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1cc(cc2)C(F)(F)F)C	24
Cc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)ccc1C#N	19.6
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(c1)-c1nnn[nH]1)c1ccccc1	31.6
N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(-n3ccnn3)cc2)n1	13.2
N#Cc1cc(CC(=O)N2CCN(CCc3ccc4c(c3)COC4=O)CC2)ccc1-n1cnnn1	7.1
CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
C[C@H]1CN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CC(O)Cc1ccccc1	0.0915
[NH3+][C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1ccncn1	26.1
CN(C/C=C/c1ccc(C(F)F)cc1)Cc1ccc2c(c1)OCCC2.Cl	1.9
C[C@H](Nc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12)c1ccn(C)n1	11
C[n+]1c(CCCOc2ccc(Cl)cc2)cccc1CCCOc1ccc(Cl)cc1	0
COc1c(cc(cc1C(C)(C)C)C(=O)N1CCN(CC1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C	9
COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1	5.5
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1	10
Clc1cc(CSc2nnc(s2)c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)ccc1Cl	80
COc1ccc2nc(CN3CCC[C@H]3CO)n(Cc3ccc(Cl)cc3)c2c1	5
O=C1OCc2cc(CCN3CCN(CCc4ccc(C#N)c(OC5CC5)c4)CC3)ccc12	0.47
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1cnc(=O)[nH]c1)c1cc(=O)[nH]cn1	60
OCCC(C(C(=C1CCCC1)F)N)c1onc(n1)c1ccc(cc1Cl)S(=O)(=O)C	47
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nccnc1OCc1ccccc1	11.3
Nc1n[nH]c(N2CCC(N3C[C@H](O)C[C@@H]3Cc3ccc(Cl)cc3)CC2)n1	55
Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1	2.5119
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1cc[n+]([O-])cc1	0.2
COc1ccc2c(n1)c(ccn2)CC[C@@H]1CC[C@H](CO1)NCc1ccc2c(n1)NC(=O)CS2	0.5
CC#Cc1ccnc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1	10
OC(=O)[C@H](Cc1ccccc1F)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1	31.6
ONC(=O)\C=C\c1ccc2CN(CCc3c[nH]c4ccccc34)Cc2c1	30
O=C(c1ccc(cc1)NS(=O)(=O)C)C1CCN(CC1)CCCc1ccccc1	0.096
COCc1c(Cl)ccc2c1CCC2c1ncc[nH]1	10
CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2	13.1
O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1	77
CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1	13
C[C@@H](NC(=O)Cc1ccc(cc1)N1CC[C@H](F)C1)c1ccc(OCC(F)(F)F)cn1	10
CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNC2)Oc2ccccc12	12.653
COc1ccc(CN(C)C)c(Oc2ccc(Cl)c(Cl)c2)c1	0.2
CCOc1nc(NC(=O)C2(CCC2)NC(=O)c2ccc3n(C4CCCCC4)c(c(C)c3c2)-c2ccc(F)cn2)ccc1\C=C\C(O)=O	1.4
Cn1c(CCCCN2CC3[C@@](C2)(C3)c2ccc(cc2)C(F)(F)F)nnc1c1scnc1C	2.51
COc1cc(ccn1)-c1cc2sc(nc2cn1)N1CCC(CC1)N1CCCCC1	0.989
Cc1cn2cc(ccc2n1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1	10
N#Cc1c2c(n(c1N1CCCC(C1)N)Cc1ccccc1)c(=O)n(c(=O)n2C)C	4.3
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cc(Cl)cnc1F	3.2
Cc1cccnc1CN1CCC2(CC1)c1ccccc1N(C2=O)c1ccc(cc1)c1ccccc1	0.123
COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2c1	33
O=C(Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(c3ncc(Cl)cn3)CC2)cc1F)N1CCC1	3.3
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1	80
C[C@@H](O)CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)nn1	0.9
CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1	3.3
O=C(c1ccccc1)NCC(c1ccccc1)CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C	10
FC1CCN(C1)C(=O)C(C(C1CCC(CC1)N(C(=O)C1CC1)C)C)N	39
COc1cccc(-c2cccc(C3(C)CCSC(N)=N3)c2)c1	7.6
CCO/N=C(\c1ccc(c(c1)F)F)/c1ccc(cn1)CN1CC[C@]2(CC1)OCc1c2cn(C)c(=O)c1	10
Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1OC(F)F	22
O=C(c1ccccc1Oc1ccccc1)N(C1CNCC1)CC1CCC1	0.76
CNc1ccc(\C=C\c2c(F)cccc2Cl)cn1	19.9
FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1	9.1
O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCC2(CCOC2=O)CC1	46
COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)N(C)c4n3)c2n1	0.8
Nc1nc2ccccc2n1CC(O)c1ccc(Cl)cc1Cl	10.3
CC1c2ccc(C#N)c(Oc3cccc(CN4CC[C@@H](NCc5cncn15)C4=O)c3)c2	14.2
N[C@H]1Cn2c(nc3cnc(F)cc32)C[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	81
CCNC(=O)c1cnc(N)c(O[C@H]2CN(C(=O)Cc3ccc(OC(F)(F)F)cc3)CC2(F)F)c1	43
COc1ncccc1C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O	21
OC1(Cc2ccc(F)cc2)CCN(CCNC(=O)Nc2ccnc3ccsc23)CC1	5
CC(=O)N1CCC(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(F)cc1	0.79
Nc1cnc(cn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1	40
CC#Cc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1	3.4
CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CN(CCc12)c1ccncn1)c1cccc(F)c1	0
CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	0.1
NC1=NC(c2cccc(F)c12)(c1cccc(c1)-c1cncc(c1)C#N)c1ccnc(c1)C(F)(F)F	1.7
Clc1cccc(OC([C@H]2CCNC2)c2ccccn2)c1Cl	10
Cc1nc2c(Cl)cccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1	3.3
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCOCC3)ncc2c1	30
O=C1OCc2cc(C3CN4CCN(C(=O)Cc5ccc(-n6cnnn6)cc5)CC4CO3)ccc21	21.1
Cc1cc(OC2CCN(CC3CCN(CC3)[C@@](C)(Cc3ccc(F)cc3)C(O)=O)CC2)ccc1Cl	100
Cc1ccc2nc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3n2c1	2.5
O=C(N1CCC(CC1)c1onc(n1)c1ccccn1)NC1CC1c1ccccc1	30
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccccc3)C2)n1C	4.6773
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C	10.4
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1ccccc1	16.9
COc1cc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)ccn1	3.8
CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1	11
NC1CCCN(C1)c1c(cccc1Cl)/C=C\1/SC(=O)NC1=O	30
CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c3ccc(C)cc3	15.1356
Oc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1	10
Cc1cnc(Nc2cc(NC3CCN(c4ccc(C#N)cn4)CC3)c(C(N)=O)cn2)cn1	4.8
Cc1c([C@@H](O)CN2CCC3(CC2)CN(c2ccns2)C3)ccc2c1COC2=O	4.5
N[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F	50
Fc1ccc(cc1)C(=O)C2CCN(CCN3C(=S)Nc4ccccc4C3=O)CC2	0.4677
Fc1ccc(cc1)C1CC(=NN1C(=O)Nc1ccccc1)c1ccc(Br)cc1	10
COCc1ccc(-c2cc3c(N[C@@H](C)c4ccn(C)n4)c(C(N)=O)cnc3cc2F)cn1	22
O=C(C1(CCC(C1)N1CCC(CC1)c1cncnc1)C(O)(C)C)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.84
CNCCC=C1c2ccccc2C=Cc3ccccc13	38.0189
COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)N(C2CCCCC2)C2CCCCC2)nn1	1.39
CCN1C[C@H](NS(=O)(=O)C(C)C)[C@H](C1)c1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1	2.5
Cc1cc(Cl)ccc1-c1nc2OC(C)(C)CC(NC(=O)C(O)C(F)(F)F)c2cc1-c1ccc(Cl)cc1	0.35
Fc1cc2[nH]c(C(=O)Nc3ccccc3)c(c2cc1)[C@@H]1C[NH2+]CC[C@@H]1F	0.93
Fc1cc2COC3(CCN(Cc4ccc(cc4)C(=O)c4ccc(F)c(F)c4)CC3)c2cn1	0
COC(=O)c1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	0
CCN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1	4.7
Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(cc2)C#N)c1	16
O=C1NCc2c(N1)ccc(c2)[C@@H]([C@H](N1CC[C@](CC1)(O)c1ccc(cc1)F)C)O	7.4
N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1	30
CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1	0
[NH+]1(CCC[C@@H]1c1cccnc1)C	244.9999
O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCOCC2)cc1	0
O=C(c1ccc(nc1)N1CCC2(CC1)CCN(C2)S(=O)(=O)C)Nc1cc(ccc1N)c1cccs1	3.3
O=C(C(n1c(nc2c1cc(F)c(c2)F)c1ccc(cc1)Cl)C1CCCCC1)NC1CCC(CC1)C(=O)O	7.6
C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN2CCCC[C@H]12	1.5
CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CN(CCc12)c1cnccn1)c1cccc(F)c1	1
COc1cccc2c1nc(C)n(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)c2=O	10
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc5OCOc5c4)nc3c2=O)C1	13.5988
N[C@@H]1CCCN(C1)c1c(Cl)cccc1C=C1SC(O)=NC1=O	30
CC1(C)CC(Nc2ccc(-c3cc4ccccc4s3)nn2)CC(C)(C)N1	0.6
Cn1c(SCCCN2C[C@@H]3[C@](C2)(C3)c2ccc(c(c2)F)C(F)(F)F)nnc1c1ocnc1C	0.4
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	7.9
N[C@H]1CCCC[C@H]1Nc1cc(Nc2ccc3CCCc3n2)c(nn1)C(N)=O	7.9
OCCc1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F	0.9
O=C(CN(c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCOC(=O)C	1.31
CC(=O)c1cccc(c1)c1ccc(cc1)[C@H]1COC[C@@H]1NS(=O)(=O)C(C)C	63
CN1CC[C@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1	0.78
CO/N=C1\CC[C@@]2(C)[C@@H](C1)C[C@@H](N1CCC[C@@H](N)C1)[C@@H]2Oc1ccc(C#N)cc1	25
CC(NC(=O)C1N(CCc2ccccn2)C(=O)c2ccccc12)c1ccc(OCC(F)(F)F)cc1	7.3
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCC(O)CC1	17
CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O	1.2
CCOc1ccc2cc(-c3nn(CC4CNC4)c4ncnc(N)c34)ccc2c1	1.7
CS(=O)(=O)O.O=C(O)c1ccccc1-c1ccc(CN2CCC(COC(=O)c3c4n(c5ccccc35)CCCO4)CC2)cc1	47.5
O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2ncn(CC(F)F)n2)CC1	34.01
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2C[C@H]3C[C@]3(C2)c2ccc(Br)cc2)n1C	0.13
COc1cc(ccc1OC)C(NC(=O)C1(N)CCCN(C1)c1ncnc2c1cc[nH]2)C	100
O=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCN(Cc3ccc(F)cc3)CC1)O2)NO	2.38
N#Cc1ccnc(c1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C	1.12
O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1C2CCC1CC(C2)n1nc(nc1C(C)C)C	4.23
Oc1cccc(c1)C1CC(=NN1C(=O)C)c1cc(F)ccc1F	26.4
COCC(=O)N1CCC(CC1)n1ncc(c1)c1cnc(c(c1)c1nc2c(o1)cccc2)N	100
COc1ccc2c(c1)ncnc2N1CCC(CC1)CNS(=O)(=O)N	10
CCN(C1CCN(CC[C@H](N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O	3.2
COc1cc(C=Cc2nc(N)c3c(n2)sc2c3CCCCC2)ccc1n1cnc(c1)C	0.39
Nc1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1	80
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C(N)=O)c2ccc(cc12)C(F)(F)F	20
Cn1c(SCCCN2CC[C@]3([C@@H](C2)C3)c2ccccc2)nnc1c1ocnc1C	5.01
O=C1Nc2ncccc2C2(O1)CCN(CC2)C(=O)N[C@@H]1CC[C@H](Cn2c1ncc2C(OCC(F)(F)F)(C)C)c1cccc(c1F)F	4
Cc1ccc(N(C)C(=O)c2ccc3c(c2)CC(c2ccc(Cl)cc2)OC3=O)cc1C	2.92
NC1=NC(SCC1)(C)c1cccc(c1)c1cncnc1	33
Cc1ncoc1-c1nnc(SCCCN2CCc3nc4ccc(cn4c3CC2)C(F)(F)F)n1C	1.9953
Fc1ccc(c(c1)c1nc(N[C@@H]2CNCC2)c2c(n1)cccc2)O	3
Cc1ncoc1-c1nnc(SCCCN2CCC3(CC3C2)c2cccc(c2)C(F)(F)F)n1C	0.1995
COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5ccccc5)C4)C[C@@H]3C(=O)O)c2c1	24.9
CC(=O)NC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1	10
COc1cc(C=Cc2nc3ccccc3c(=O)n2C)ccc1n1cnc(c1)C	0.31
Cc1ccc(Cc2cc[n+](C)c(COc3ccc(C)cc3)c2)cc1	0.3
CNCc1cc(ccc1Oc1ccc(C)cc1)C(F)(F)F	10.4
NC(=O)c1cnc2ccc(-c3cccnc3)cc2c1NCC1CCOCC1	2.3
C[C@@H]1O[C@@H](C)CN(C1)c1nc2nc(cnc2c(n1)N1CCOC[C@H]1C)c1ccccc1	13.2
Cc1nc2C(=O)N(CCO)Cc2c(c1CN)-c1ccc(Cl)cc1Cl	80
COc1cc(C=Cc2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1-n1cnc(C)c1	10
CN(c1ccc(-c2ccc(F)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1	2.2
C[C@@H]1NCCC[C@@H]1Nc1ncc(C(N)=O)c2sc(-c3ccccc3)cc12	5.9
Cc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1	29
FC(F)(F)c1ccccc1CN([C@H]1CCNC1)C1CCOCC1	1.1
CNc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1C(=O)OC	16
Cc1c(cccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1)C#N	14.8
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N(C)C)n1	18
CCNC1CCC(CC1)c1c[nH]c2c1cc(cc2)NC(=N)c1cccs1	23
Cn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1noc(O)n1	1.2
CCCC[C@@H](CCO)Nc1nc(N)nc2ccccc12	2.7
CCCCOc1cccc(CCNCC(=O)N(C)C)c1.Cl	9.4
COc1ccc(cc1)[C@H]1CN(CCCC2CCOCC2)C[C@@H]1CC(=O)Nc1cccc(Cl)c1	0.37
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)-n1ccnc1)N1CCOC[C@@H]1C	32
Cc1cc(-n2cnnn2)cnc1CC(=O)N1CCN(CCc2ccc3c(c2C)COC3=O)CC1	52
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1	100
NC(=O)c1cccc(c1)C(=O)N1CCC(CCN2CCC(CC2)N(C(=O)NCc2ccc(cc2)C#N)c2cccc(F)c2)(CC1)c1cccc(F)c1	20
O=C(C1CC12CCN(C1CCCCC1)CC2)N1CCN(C2CCCCC2)CC1	20.8
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(F)cc1	26.957
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c(C)c1	5.1
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnc(C)o3)nc2cc1Cl	10
COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccccc2F)nn1	2.49
Oc1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1	2.76
Cc1cnc(CCC(=O)N[C@H]2CC[C@@H](CC2)c2ccc(O)cc2)s1	10
O=CN(C(CS(=O)(=O)N1CCC(CC1)CCc1c(C)noc1C)(CC(c1ncc(cn1)F)C)C)O	65
CNC(=O)c1nccc(c1)Oc1ccc2c(c1)sc(n2)NC(=O)Nc1ccc(c(c1)Cl)Cl	100
Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	16
O=c1[nH]ccc2nc(-c3ccc(CN4CCC(CC4)c4nc(n[nH]4)-c4ncccn4)cc3)c(cc12)-c1ccccc1	10
CC1=NC(N=C1N)(c1ccc(F)cc1)c1cccc(c1)-c1cccnc1	33
CN(C)CCCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O	1.4
COc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N	1.6
c1cc(C#Cc2ccccc2)cc(c1)C#Cc1ccccc1	10
CCN(CC)CCNC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1	1.17
CN(C)S(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1	1
COc1cc(CC(C)N2CCN(CCc3ccc4C(=O)OCc4c3C)CC2)ccc1C#N	1.3
Cc1ncoc1-c1nnc(SCCCN2CC3CN(c4ccc(C(F)(F)F)cc4)C3C2)n1C	0.63
FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1c[nH]nn1	3.5
O=C(C1CCC1)NC(c1ccccc1)CC(N1CCC(CC1)c1[nH]ncc1c1ccncc1)C	0.117
CC(C)c1ccc(CS(=O)(=O)c2ccc(cc2)[C@@]23C[C@@H]2CNC3)cc1	3.1623
COC(=O)c1ccc2[nH]c(NCCCNC(=O)c3cc(Cl)cc(Cl)c3)nc2c1	50.1
N#Cc1ccc(O[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C[C@@]2(O)CN)cc1F	3
NC1=NC(c2ccccc12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)(F)F	5.5
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(N)n2)c(OC)c1	25
Cc1cc(SCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1	10
CC(=O)N1CCOc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12	10
C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F	100
COC[C@@H]1CCCN1N1CCN(C1=O)c1cccc(Cl)c1	5
COC1COCCC1N[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F	50
NC[C@]1(c2cccc(Cl)c2)CC[C@H](N2CCc3c(nc(C(F)(F)F)nc3C3CC3)C2=O)CC1	0.26
COc1cc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc(OC)c1	3
COc1cccc(c1)CN(c1cccc2c1cc[nH]2)C1CCNCC1	10
O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2nonc2c1	10
C[Si]1(C)CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(-c3ccc(F)cc3)n2)CC1	1.26
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2F)C#N)cn1)c1nnc(o1)C(F)(F)F	11
O=C1CN(CCN1c1ccc(cc1)OCCCN1CCCCC1)C(=O)C(C)(C)C	63
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccccc1C(O)=O	2.4
CCCCN(CC)CCCCCc1ccc(Cl)cc1	2.5
CN1CCN(CC1)c1cccc2c1CC(CO2)NC(=O)c1ccc(cc1)OC(F)(F)F	7.9
COc1cccc(c1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1	3.08
Cc1ccc(Cc2cc[n+](C)c(COc3ccc(C)cc3)c2)cc1.O=S(=O)([O-])C(F)(F)F	0.346
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2c(C)noc2C)CC1)N(O)C=O)c1ncc(F)cn1	65
Fc1ccc(cc1Cl)N1CCN(CCN2Cc3ccccc3C2)C1=O	5
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)S[C@]1(C)CCC(CC1)c1nnc(o1)C	10
O[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1	333
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(Cl)cc2)n1C	0.525
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccs1	27
OCC[C@@]1(CCCNC1)c1cc2ccccc2o1	33
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3NC(=O)COc3cn2)Cn2c3c1c(F)cnc3ccc2=O	20.85
O=C(C(n1c(nc2c1cc(Cl)c(c2)F)c1ccc(cc1)Cl)C1CCCCC1)NC1CCCCC1	1.6
CCOc1ccc(-c2cc3c(N[C@@H]4CC[C@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)cn1	17
NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(F)c1	1.4
CN(C)CCC1=C(Cc2cccnn2)c2ccc(Cl)cc2C1	0.2
Clc1ccc(cc1)C[C@@](O)([C@H](CN(C)C)C)C	2.9
COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1	10
C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CCC2=O	15.4882
Cn1cc(Nc2nc(N)nc(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)n2)cc1C#N	2.6
CC(C)(O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C[C@H]2F)c1	42
O=C(NC1CCC(CC1)c1ccc(cc1)O)CCc1ccccc1	30
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1	5
O=C(c1ccc(nc1)N1CCC2(CC1)CNCC2)Nc1cc(ccc1N)c1cccs1	10
Cc1nc(N)n(CC(O)c2ccc(Cl)cc2Cl)c1C	33.3
c1ccc(cc1)CCCN1CCC(CC1)Cc1ccccc1	0.02
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccnn1	0
OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O	3981.0717
CC(C)Oc1ccc(-c2cc3c(N[C@@H]4CC[C@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)cn1	5.3
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn[nH]c1	40
FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1	6.3
CC(=O)N1CC2CC1CN2CCOc1ccc(Oc2nc3ncccc3s2)cc1	10
OCCN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1	10
COc1ccc(CCN2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1	0.1639
CCC(=O)N1CCc2c(C1)cc(c(c2)OC)O	500
Cc1cc(ccc1F)C(O)(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(F)(F)F	10
Cn1c(SCCCN2CC3CCN(c4ccc(F)cc4F)C3C2)nnc1-c1cnccn1	0.79
N#Cc1ccc(cc1)Cn1cncc1CNC1CCN(C1)C(=O)c1cccc(c1)Cl	5.8
CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(cc1)-c1ccn[nH]1	30
CCCCCCCC(=O)OCC(O)CO	23.9883
CCC(n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@H]1CO[C@](O1)(Cn1cncn1)c1ccc(cc1Cl)Cl)C	40
Fc1ccc(c(c1)C(C[C@](C(F)(F)F)(Cc1cc2c([nH]1)cncc2)O)(C)C)O	4.5
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1ccc(F)nc1	1
CCc1ncc(s1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F	23
COc1ccc(-c2nn(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc2-c2ccncc2)cc1Cl	13.07
C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccncc1	0.1
OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1	10
CC(NC(=O)c1ccc(C(F)(F)F)cc1Cl)C1(N2CCN(S(=O)(=O)c3cn(C)nn3)CC2)CCC(F)(F)CC1.Cl	20.2
CCNc1nc(NC(C)(C)C)nc(SC)n1	18.6209
Cc1nccc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)n1	17.6
COc1ccc(cc1)c1noc(n1)C1=CC2(c3c1cccc3)CCN(CC2)Cc1onc(n1)C	33.3
Nc1nc2cc3CCN(Cc4cnc[nH]4)CCc3cc2s1	33
CS(=O)(=O)Cc1cc(nc(NC(=O)c2ccno2)n1)N1CCOCC1	33
O=C(/C=C/[C@@H]1CCCN1)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	86.2
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc2ncnn2c1C	2.8
Clc1cccc(Cl)c1CCNCC(=O)N1CCc2ccccc2C1C1CCCCC1	54.7
CO/N=C/c1ccc2nc(OC)c([C@@H](c3ccccc3)[C@](O)(CCN(C)C)c3cccc4ccccc34)cc2c1	2.2
CC(C)(O)c1ccc(c[n+]1[O-])-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12	50.1
CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cnc4cc[nH]c4c3)CC(=O)c12	29
CC(C)C(N1CCOCC1)C(O)(c1ccccc1)c1ccccc1	30
CC1OC(C)CN(C1)c1nc(c2ccc(cc2Cl)Cl)c2c(n1)N(C(=O)NC2)c1c(Cl)cccc1Cl	5
CN1CCC(COCc2cc(cc(n2)N2CCC3CC23)C(F)(F)F)(CC1)c1ccc(F)cc1	12
OCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1	2.4
COc1cc(C=Cc2nc(NCc3ccccc3)c3c(n2)sc2c3CCC2)ccc1n1cnc(c1)C	1.12
CN1C[C@H](OC1=O)c1ccc(cn1)-c1ccc2N3[C@@H](COc2c1)[C@H](CO)OC3=O	40
Cc1c(O)cccc1C(=O)NC(CSc2ccccc2)C(O)CN4CC3CCCCC3CC4C(=O)NC(C)(C)C	11.4815
NS(=O)(=O)c1ccc(CCNc2nc(-c3cncnc3)nc3cccc(-c4ccccc4)c23)cc1	5.6
COc1c(cc(cc1C(C)(C)C)C(=O)N1CCC(CNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1)C(C)(C)C	0.65
COc1cc(CNCC(COc2ccc3c(c2)ccc(=O)[nH]3)O)ccc1OC	10
CN(C)C(=O)N[C@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cccc(c2)C(N)=O)CC1	33
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)S[C@]1(C)CCC(CC1)S(=O)(=O)C	10
NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1	19
CC1SC(=N[C@@]2([C@H]1CC(OC2)c1occ(n1)C)c1ccc(cc1F)F)N	4.8
O1[C@@H]2[C@]34[C@H]([C@H]([NH+](CC3)C)Cc3c4c1c(OC)cc3)C=C[C@@H]2O	301.0001
COc1ccccc1N2CCN(CCCC(=O)c3ccc(F)cc3)CC2	0.6761
COCc1nc(no1)-c1ccc(cc1)N1C(=O)N(c2cc(=O)[nH]cn2)C2(CCN(Cc3ncccc3C)CC2)C1=O	7.7
O=c1cc(Cn2c(nc3c2nccn3)C2CCC2)c2c([nH]1)c(F)ccc2	30
O=C(NC1CN(C1)C1CC[C@](CC1)(O)c1c(C)cccc1C)CNC(=O)c1cccc(c1)C(F)(F)F	7.6
Cc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OC1CCN(CC1)C1CCC1	63
NCC(O)COc1ccccc1C(=O)CCc1ccccc1	5.78
CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccc(F)cc4)cc23)CC[C@]1(C)N	10.2
O=C(Nc1ccc(F)cn1)[C@H](CN1CC(O)C1)Oc1ncnc2c1cnn2-c1c(Cl)cccc1Cl	19.9526
Fc1cncc(c1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1	15.8
COC[C@@H]1C[C@@H](CC[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C	80
CN(C)CC=C(c1ccc(Br)cc1)c2cccnc2	0.3311
COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)n1	1.025
CC1(C)c2cc(C3CCN(CC4CCOCC4)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21	2.65
COc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(C#N)ccc3nc2OC)c2ccnc(OC)c2OC)cc(N(C)C)n1	3.4
CN(C)CCN(C)C(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)C#N	0.17
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc2OCOCc2c1	3.6
CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1	7.4
