447 SMILES Strings for Discoidin domain-containing receptor 2

Compound Name
SMILES String
CC(=O)c1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1
CC(C(=O)Nc1ccc(C)c(c1)-c1ccc2nc(Nc3cnn(C)c3)ncc2c1)c1cccc(c1)C(F)(F)F
CC(C(=O)Nc1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F
CC(C(=O)Nc1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(c1)[N+]([O-])=O
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)n(n1)-c1cccc(N)c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1cccc(N)c1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc23)no1
CC(C)(C)c1cc(NC(=O)Nc2ccc3oc(cc3c2)C(=O)c2cc3cc(O)ccc3[nH]2)no1
CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncnc4ccccc34)c2)n(n1)-c1cccc(N)c1
CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1
CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(c1)[N+]([O-])=O
CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(N)c1
CC(C)(C)c1cc(NC(=O)Nc2nc(CCOCc3ccc(F)cc3)cs2)n(n1)-c1ccc(CC(O)=O)cc1
CC(C)(C)c1cc(NC(=O)Nc2nc(CCOCc3ccccc3)cs2)n(n1)-c1ccc(CC(O)=O)cc1
CC(C)(C)c1cc(NC(=O)Nc2nc(CCOCc3ccccc3)cs2)n(n1)-c1cccc(CC(O)=O)c1
CC(C)(C)c1cc(NC(=O)Nc2nccs2)n(n1)-c1ccc(CC(O)=O)cc1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
CC(C)CNC(=O)c1ccc(C)c(c1)C#Cc1cnc2ccnn2c1
CC(C)COC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CC(C)COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CC(C)NC(=O)c1ccc(C)c(c1)C#Cc1cnc2ccnn2c1
CC(C)OC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CC(C)OC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CC(C)Oc1cccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1
CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O
CC(C)c1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc3C(C)CN(Cc3c2)c2cncnc2)c1
CC(C)c1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc3C(C)CN(Cc3c2)c2cncnc2)c1 |w:23.24|
CC(C)c1cc(NC(=O)c2ccc3C[C@H](Cc3c2)N(C)c2cncnc2)cc(c1)-n1cnc(C)c1 |r|
CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C
CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C
CC(C)c1ccc(cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
CC(C)c1ccc(cc1-c1cccc(c1)-c1cnc2cnccn12)C(=O)Nc1cccc(c1)C(F)(F)F
CC(C)c1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CC(C)c1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CC(C)c1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CC(C)c1cccc(NC(=O)c2ccc(C)c(c2)-c2ccc3cn[nH]c3c2)c1
CC(C)n1cc(cn1)-c1n[nH]c2cc(ccc12)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(NC(=O)Nc1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)-c1ccc2nc(Nc3cnn(C)c3)ncc2c1
CC(NC(=O)c1cc(n[nH]1)-c1ccccc1)c1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)S(C)(=O)=O |r|
CC(NC(=O)c1cc(n[nH]1)-c1ccccc1)c1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O |r|
CC(NC(=O)c1cc(n[nH]1)-c1ccccc1)c1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H]1CCCN(C1)S(C)(=O)=O |r|
CC(NC(=O)c1ccc(C)c(c1)-c1ccc2nc(Nc3cnn(C)c3)ncc2c1)c1cccc(c1)C(F)(F)F
CC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cc(ccn1)C(F)(F)F
CC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F
CC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1csc(C)n1
CC(NC(=O)c1cccc(c1)C(C)(C)C#N)c1ccc(C)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1
CC(NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)-c1ccc2cnc(Nc3cnn(C)c3)nc2c1
CC(NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1
CC(NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1
CC(NC(=O)c1cnc2ccccn12)c1ccc(cc1)C(=O)N[C@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)S(C)(=O)=O |r|
CC(NC(=O)c1cnn(C)c1N)c1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)S(C)(=O)=O |r|
CC(O)Cn1cc(cn1)-c1n[nH]c2cc(ccc12)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
CC1CN(Cc2cc(NC(=O)Nc3cc(CN4CCN(C)CC4)cc(c3)C(F)(F)F)ccc12)c1cncnc1
CC1CN(Cc2cc(NC(=O)c3cc(CN4CCN(C)CC4)cc(c3)C(F)(F)F)ccc12)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CCN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CCN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN(C)C)cc(c1)C(F)(F)F)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN(C)C)cc(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN(C)CCN(C)C)cc(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCC2)cc(c1)C(F)(F)F)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCC2)cc(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCCC2)cc(c1)C(F)(F)F)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCCC2)cc(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)c(C)c(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)c(Cl)c(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)c(F)c(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)-c1ccccc1)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)-c1ccccc1)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(C)(C)C)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(C)(C)C)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cccnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CC1)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CC1)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CCCC1)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CCCCC1)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C1CCCCC1)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(CC2)C2CCCCC2)cc(c1)C(F)(F)F)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(CC2)C2CCCCC2)cc(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCOCC2)cc(c1)C(F)(F)F)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCOCC2)cc(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCSCC2)cc(c1)C(F)(F)F)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCSCC2)cc(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CC[C@@H](C2)N(C)C)cc(c1)C(F)(F)F)c1cncnc1 |r,w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CC[C@H](C2)N(C)C)cc(c1)C(F)(F)F)c1cncnc1 |r,w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)N1CCN(C)CC1)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)N1CCN(C)CC1)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cc(ccc1CN1CCN(C)CC1)C(F)(F)F)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1CN(Cc2cc(ccc12)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cccc(c1)C(F)(F)F)c1cncnc1
CC1CN(Cc2cc(ccc12)C(=O)Nc1cccc(c1)C(F)(F)F)c1cncnc1 |w:1.0|
CC1Cc2ccc(cc2CN1c1cncnc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CC1Cc2ccc(cc2CN1c1cncnc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F |w:1.0|
CCC(=O)N1CCC(C1)Nc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CCC(=O)Nc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CCC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F
CCC(NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)-c1ccc2nc(Nc3cnn(C)c3)ncc2c1
CCC1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |w:2.1|
CCCCNC(=O)c1ccc(C)c(c1)C#Cc1cnc2ccnn2c1
CCCCOC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CCCCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CCCN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
CCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cc(n[nH]2)-c2ccccc2)cc1 |r|
CCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r|
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
CCCn1cc(cn1)-c1n[nH]c2cc(ccc12)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
CCN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
CCN1CCN(Cc2cc(NC(=O)c3ccc(C)c(c3)-c3ccc4cn[nH]c4c3)cc(c2)C(F)(F)F)CC1
CCN1CCN(Cc2cc(NC(=O)c3ccc4C(C)CN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1
CCN1CCN(Cc2cc(NC(=O)c3ccc4C(C)CN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1 |w:17.17|
CCN1CCN(Cc2cc(cc(c2)C(F)(F)F)C(C)NC(=O)c2ccc(C3CC3)c(c2)-c2ccc3nc(Nc4cnn(c4)C4CC4)ncc3c2)CC1
CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(cc3)-c3ccc4ccncc4c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cccs4)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cnn(C)c4)c3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NCc3cnc4[nH]ccc4c3OC)c2)CC1
CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Oc3ccc4NC(=O)Cc4c3)c2)CC1
CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r|
CCOC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CCOCCNc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCS(=O)(=O)N1CCC(C1)Nc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CCc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc3C(C)CN(Cc3c2)c2cncnc2)c1
CCc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc3C(C)CN(Cc3c2)c2cncnc2)c1 |w:22.23|
CCc1cc(NC(=O)c2ccc3C[C@H](Cc3c2)N(C)c2cncnc2)cc(c1)-n1cnc(C)c1 |r|
CCc1cc(cc(c1)-c1cc(ccc1CC)C(=O)Nc1cccc(c1)C(F)(F)F)-c1cnc2cnccn12
CCc1ccc(cc1-c1cc(C)cc(c1)-c1cnc2cnccn12)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
CCc1ccc(cc1-c1cc(C)cc(c1)-c1cnc2cnccn12)C(=O)Nc1cc(ccc1F)C(F)(F)F
CCc1ccc(cc1-c1cc(C)cc(c1)-c1cnc2cnccn12)C(=O)Nc1ccc(F)c(c1)C(F)(F)F
CCc1ccc(cc1-c1cc(C)cc(c1)-c1cnc2cnccn12)C(=O)Nc1cccc(c1)C(F)(F)F
CCc1ccc(cc1-c1cc(C)cc(c1)-c1cnc2cnccn12)C(=O)Nc1cccc(c1F)C(F)(F)F
CCc1ccc(cc1-c1cc(Cl)cc(c1)-c1cnc2cnccn12)C(=O)Nc1cccc(c1)C(F)(F)F
CCc1ccc(cc1-c1cc(F)cc(c1)-c1cnc2cnccn12)C(=O)Nc1cccc(c1)C(F)(F)F
CCc1ccc(cc1-c1cc(OC)cc(c1)-c1cnc2cnccn12)C(=O)Nc1cccc(c1)C(F)(F)F
CCc1ccc(cc1-c1cc(cc(c1)-c1cnc2cnccn12)C#N)C(=O)Nc1cccc(c1)C(F)(F)F
CCc1ccc(cc1-c1cc(cc(c1)-c1cnc2cnccn12)C(C)C)C(=O)Nc1cccc(c1)C(F)(F)F
CCc1ccc(cc1-c1cc(cc(c1)C(C)(C)C)-c1cnc2cnccn12)C(=O)Nc1cccc(c1)C(F)(F)F
CCc1ccc(cc1-c1cc(ccc1C)-c1cnc2cnccn12)C(=O)Nc1cccc(c1)C(F)(F)F
CCc1ccc(cc1-c1ccc(C)c(c1)-c1cnc2cnccn12)C(=O)Nc1cccc(c1)C(F)(F)F
CCc1ccc(cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1)C(C)NC(=O)c1cccc(c1)C(F)(F)F
CCc1ccc(cc1-c1cccc(-c2cnc3cnccn23)c1C)C(=O)Nc1cccc(c1)C(F)(F)F
CCc1ccc(cc1-c1cccc(c1)-c1cnc2ccnn2c1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1-c1cccc(c1)-c1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1-c1cccc(c1)-c1cnc2cnccn12)C(=O)Nc1ccc(cc1)C(F)(F)F
CCc1ccc(cc1-c1cccc(c1)-c1cnc2cnccn12)C(=O)Nc1cccc(CN2CCN(C)CC2)c1
CCc1ccc(cc1-c1cccc(c1)-c1cnc2cnccn12)C(=O)Nc1cccc(c1)C(F)(F)F
CCc1ccc(cc1-c1cccc(c1)-c1cnc2cnccn12)C(=O)Nc1ccccc1
CCc1ccc(cc1-c1cccc(c1)-c1cnc2cnccn12)C(=O)Nc1ccccc1C(F)(F)F
CCc1ccc(cc1C#Cc1ccc2ccnn2c1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1ccco1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1ccoc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1ccsc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc(C)n1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc(NC)nc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc(nc1)N(C)C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc2ccccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cncn1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc(cc1C#Cc1cncnc1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
CCc1ccc2n(C)c(C)c(C(=O)Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)c(=O)c2c1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
CCn1cc(cn1)-c1n[nH]c2cc(ccc12)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
CN(C)C(=O)Cn1cc(cn1)-c1n[nH]c2cc(ccc12)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
CN(C)CCOC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CN(C)CCOc1cc(Cl)c(C)cc1NC(=O)NCc1ccc(Oc2ccnc(NC(C)=O)c2)c(C)c1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN(C)C\C=C\C(=O)Nc1cc(ccc1C)-n1c2c(ccc3ccc(cc23)-c2cnn(C)c2)ccc1=O
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1cccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1
CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(C)cc(c1)-n1cnc(C)c1)c1cncnc1 |r|
CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)-n1cnc(C)c1)C1CCCCC1)c1cncnc1 |r|
CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(C)(C)C)-n1cnc(C)c1)c1cncnc1 |r|
CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
CN([C@@H]1Cc2ccc(cc2C1)C(=O)Nc1cc(cc(c1)C12CC3CC(CC(C3)C1)C2)-n1cnc(C)c1)c1cncnc1 |r,TLB:18:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cc(cs1)C#N
CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(Oc2ccc3NC(=O)Cc3c2)c1
CN1CCC(CC1)n1cc(cn1)-c1n[nH]c2cc(ccc12)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1n[nH]c2cc(ccc12)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3cncc(c3)C(N)=O)c2)cc(c1)C(F)(F)F
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2cc(ccc12)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN1CCN(Cc2cc(C)cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccnn4c3)c2)CC1
CN1CCN(Cc2cc(Cl)cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccnn4c3)c2)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(c3)-c3ccc4cn[nH]c4c3)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccnn4c3)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc(C4CC4)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc(Cl)c(c3)C#Cc3cnc4ccnn4c3)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc(c(c3)C#Cc3cnc4cnccn34)C(C)(C)C)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cccnc3)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3ccncn3)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cnc4ccccc4c3)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc5cncnc5)Cc4c3)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3ccc4c(CN(CC4(C)C)c4cncnc4)c3)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(NC(=O)c3cccc(c3)C#Cc3cnc4ccnn4c3)cc(c2)C(F)(F)F)CC1
CN1CCN(Cc2cc(cc(c2)C(F)(F)F)C(=O)Nc2ccc3CCN(Cc3c2)c2cncnc2)CC1
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-c3ccc4cn[nH]c4c3)cc2)CC1
CN1CCN(Cc2ccc(cc2)-c2n[nH]c3cc(ccc23)-c2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
CN1CCN(Cc2cccc(NC(=O)c3ccc(C)c(c3)-c3ccc4cn[nH]c4c3)c2)CC1
CN1CCN(Cc2cccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccnn4c3)c2)CC1
CN1CCNC(=O)CCCCOc2cc(C#Cc3cnc4ccc1nn34)c(C)c(c2)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cc(Cl)ccc3OC)cc2C)ccn1
CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cc(ccc3OC3CCNCC3)C(F)(F)F)cc2)ccn1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
CNc1nc(Nc2ccc(C)c(N)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
COC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
COC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1ccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)cc1
COc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2cn[nH]c2c1
COc1cccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1
COc1ccccc1NC(=O)c1ccc(C)c(c1)C#Cc1cnc2ccnn2c1
COc1ccccc1NC(=O)c1sc2nc(C)c(C(=O)Nc3ccc(C)cc3C)c(-c3ccc(NC(C)=O)cc3)c2c1N
COc1cncc(CNc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c1
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CS(=O)(=O)N1CCCC(C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cc(n[nH]2)-c2ccccc2)cc1 |r|
CS(=O)(=O)N1CCCC(C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnc3ccccn23)cc1
CS(=O)(=O)N1CCCC(C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNc2ncnc3n(ncc23)-c2ccccc2)cc1 |r|
CS(=O)(=O)N1CCCC(C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNc2ncnc3n(nnc23)-c2ccccc2)cc1
CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CSc1ccc(cc1)-c1nc2cnccn2c1NC1CCCCC1
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
C[C@@H](NC(=O)Nc1ccccc1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r|
C[C@@H](NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2cnc(Cc3cnn(c3)C3CC3)nc2c1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2cnc(NC3CCN(C)CC3)nc2c1)c1cccc(c1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1 |r|
C[C@@H](NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C2CC2)c(c1)-c1ccc2cnc(Cc3cnn(c3)C3CC3)nc2c1 |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@@H]1CN(Cc2cc(NC(=O)c3cc(CN4CCN(C)CC4)cc(c3)C(F)(F)F)ccc12)c1cncnc1 |r|
C[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
C[C@@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
C[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r|
C[C@H](NC(=O)Nc1ccccc1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r|
C[C@H](NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2cnc(Cc3cnn(c3)C3CC3)nc2c1)c1cccc(c1)C(F)(F)F |r|
C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r|
C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1 |r|
C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C2CC2)c(c1)-c1ccc2cnc(Cc3cnn(c3)C3CC3)nc2c1 |r|
C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C2CC2)c(c1)-c1ccc2cnc(NC3CCN(C)CC3)nc2c1 |r|
C[C@H](Nc1nc2cc(F)ccc2o1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r|
C[C@H]1CN(Cc2cc(NC(=O)c3cc(CN4CCN(C)CC4)cc(c3)C(F)(F)F)ccc12)c1cncnc1 |r|
C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F)c1cncnc1 |r|
C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1 |r|
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
C\C=C\C(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Cc1cc(C)cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1
Cc1cc(Cl)cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1
Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12
Cc1ccc(CNC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Cc1ccc(NC(=O)Nc2cc(nn2-c2ccccc2)C(C)(C)C)cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1
Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1
Cc1ccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)cc1
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2cn[nH]c2c1
Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccc(F)cc2)cs1)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccncc2)cs1)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nccs1)C(C)(C)C
Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1ccc(cc1)N1CCC(CC1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1ccc(cc1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1cn[nH]c1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1cnn(C)c1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1cnn(CCN2CCOCC2)c1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1cnn(CCO)c1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1cnn(c1)C1CC1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1cnn(c1)C1CCCCO1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1cnn(c1)C1CCOC1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2cn[nH]c2c1)C(=O)NCc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2cn[nH]c2c1)C(=O)Nc1cc(CN2CCN(CC2)C2CCCC2)cc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2cn[nH]c2c1)C(=O)Nc1cc(CN2CCN(CCO)CC2)cc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2cn[nH]c2c1)C(=O)Nc1cccc(c1)C(C)(C)C#N
Cc1ccc(cc1-c1ccc2cn[nH]c2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1)C(=O)NCc1cccc(c1)C(F)(F)F
Cc1ccc(cc1-c1cccc(c1)-c1cnc2cnccn12)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCC3C=NNC3C2)c(Cl)c1 |c:33|
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2Cc3cn[nH]c3C2)c(Cl)c1
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)NC1CCCC1
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)NC1CCCCC1
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cc(CN2CCCC2)cc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cc(CN2CCCCC2)cc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cc(CN2CCOCC2)cc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1ccc(Cl)cc1
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1ccc(cc1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cccc(Br)c1
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cccc(Cl)c1
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cccc(I)c1
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cccc(c1)-n1ccnc1
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1ccccc1
Cc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1ccccc1Cl
Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Cc1ccc(cc1NCc1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1NCc1cncc(c1)-c1ccc[nH]1)C(=O)Nc1ccc(C)c(c1)C(F)(F)F
Cc1ccc(cc1NCc1cncc(c1)-c1ccc[nH]1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1NCc1cncc(c1)-c1ccn(C)n1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1NCc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1Nc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Cc1ccc2c(Nc3ccc(F)c(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Cc1ccc2c(Nc3cccc(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12
Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CC2)C(=O)Oc2ccccc2)s1
Cc1cccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1
Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
Cc1ccccc1NC(=O)c1ccc(C)c(c1)C#Cc1cnc2ccnn2c1
Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(NC(=O)c2ccc3CC(C)(Cc3c2)Nc2cncnc2)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(NC(=O)c2ccc3CN(Cc3c2)c2cncnc2)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(NC(=O)c2ccc3CN(Cc4cncnc4)Cc3c2)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(NC(=O)c2ccc3C[C@@H](Cc3c2)Nc2cncnc2)cc(c1)C(F)(F)F |r|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc3C[C@H](Cc3c2)Nc2cncnc2)cc(c1)C(F)(F)F |r|
Cc1cn(cn1)-c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Cc1cn(cn1)-c1cccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccnn3c2)c1
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1nc(NC2CCN(C2)C(=O)C=C)cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1
Cc1nc(NC2CCN(C2)S(C)(=O)=O)cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)OCC=C
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)OCc1ccccc1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)Oc1ccccc1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)C=C
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCC=C
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCCCl
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCCN1CCOCC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCc1ccccc1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(Nc2ncc3cc(ccc3n2)-c2cc(ccc2C2CC2)C(=O)Nc2cccc(c2)C(F)(F)F)cn1
Cn1cc(cc(NC(=O)NCc2ccc(Oc3ccnc4NC(=O)NCc34)cc2)c1=O)C(F)(F)F
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1ccc(n1)-c1cncc(CNc2cc(ccc2F)C(=O)Nc2cccc(OC(F)(F)F)c2)c1
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Cn1ncc(C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC2CCCCC2)C(=O)NC2CCCN(C2)S(C)(=O)=O)c1N |r|
FC(F)(F)CNC(=O)CN1C(=O)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3n2)c2c1cccc2Br
FC(F)(F)CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O
FC(F)(F)c1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
FC(F)(F)c1cccc(NC(=O)c2ccc(C3CC3)c(c2)-c2ccc3nc(Nc4cnn(c4)C4CC4)ncc3c2)c1
FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)-c1ccc2cn[nH]c2c1
FC(F)(F)c1cccc(c1)C1(CC1)NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1
FC(F)(F)c1cccc2C(CCc12)NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1
Fc1cc(cc(c1)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)N1CCOCC1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Fc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2cn[nH]c2c1
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)C(=O)C1CC1 |r|
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)C1COC1 |r|
Nc1c(oc2ccccc2c1=O)-c1ccccc1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
O=C(NCc1cccc(NC(=O)c2cnc3ccccn23)c1)Nc1ccccc1
OC(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccccc2)cs1)C1CCCC1
OC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccccc2)cs1)C1CCCC1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1