448 SMILES Strings for Cell division cycle 7-related protein kinase
Compound Name
SMILES String
Brc1ccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)cc1 |w:10.10,t:7|
Brc1ccc2oc3c(nc(CN4CCCC4)[nH]c3=O)c2c1
Brc1ccc2oc3c(nc([nH]c3=O)C3CCCNC3)c2c1
Brc1ccc2oc3c(nc([nH]c3=O)C3CCNCC3)c2c1
Brc1ccc2oc3c(nc([nH]c3=O)C3CNC3)c2c1
Brc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1 |r|
Brc1ccc2oc3c(nc([nH]c3=O)[C@H]3CCCN3)c2c1 |r|
Brc1ccc2oc3c(nc[nH]c3=O)c2c1
Brc1cccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)c1 |w:11.11,t:8|
C(C1CCOCC1)n1cc(nn1)-c1ccc2[nH]ncc2c1
C(CN1CCOCC1)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)C1CC1
C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)C1CCCCC1
C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1
C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1)c1ccccc1
C(Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1
C(Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccn1
C(Nc1nnc(o1)-c1c[nH]c2ncccc12)c1cccnc1
C(Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccncc1
C(Nc1nnc(o1)-c1ccc2[nH]ncc2c1)c1ccccc1
C(Nc1nnc(o1)-c1ccc2cnccc2c1)c1ccccc1
C(Nc1nnc(o1)-c1nc2ccncc2s1)c1ccccc1
C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]nc(-c3ccccc3)c2c1
C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]nc(-c3cccs3)c2c1
C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]nc(-c3nccs3)c2c1
C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]nc(N3CCOCC3)c2c1
C(c1ccccc1)n1cc(nn1)-c1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
C(c1ccccc1)n1nnc(c1-c1ccccc1)-c1ccc2[nH]ncc2c1
C(c1ccccc1)n1nncc1-c1ccc2[nH]ncc2c1
C1CC1[C@@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
C1CCC(CC1)Nc1cc(ccn1)-c1c[nH]c2ncccc12
CC(=C1N=C(NCc2ccccc2)NC1=O)c1c[nH]c2ncccc12 |w:1.0,t:3|
CC(=O)N1CCN(CC1)C(=O)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
CC(=O)Nc1cnc2[nH]cc(C=C3N=C(NCc4ccccc4)NC3=O)c2c1 |w:11.10,t:13|
CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
CC(C)(C)C1CCC(CC1)NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:14.15,t:12,(17.84,-46.38,;17.85,-44.85,;16.31,-44.83,;19.39,-44.87,;17.88,-43.31,;16.55,-42.51,;16.58,-40.98,;17.92,-40.23,;19.25,-41.01,;19.22,-42.55,;17.93,-38.69,;16.53,-38.07,;15.2,-38.84,;14.05,-37.8,;12.54,-38.12,;12.07,-39.59,;12.98,-40.84,;12.07,-42.1,;10.59,-41.62,;9.26,-42.39,;7.93,-41.62,;7.93,-40.07,;9.25,-39.3,;10.59,-40.07,;14.68,-36.4,;13.91,-35.07,;16.21,-36.56,)|
CC(C)(C)CCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.10,t:7|
CC(C)(C)OC(=O)N1CCC(CC1)c1[nH]c(cc1C(N)=O)-c1ccncc1
CC(C)(C)OC(=O)NCc1[nH]c(=O)c2sc(c3OCCCc1c23)-c1ccncc1
CC(C)(Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1
CC(C)(O)Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
CC(C)(O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCC(F)(F)Cc1c23
CC(C)(O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
CC(C)(O)c1[nH]c(=O)c2sc(c3OCCCc1c23)-c1ccncc1
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
CC(C)N(C)C(=O)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
CC(C)NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
CC(C)NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:7.7,t:4|
CC(C)NC1=NC(=O)C(S1)=Cc1c[nH]c2ncccc12 |w:10.11,t:4|
CC(C)NCc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CC(C)OC(=O)C1C(OC(=Cc2c[nH]c3ncccc23)C1=O)=NN1CCOCC1 |w:10.10,22.25|
CC(C)OC(=O)C1C(OC(=Cc2c[nH]c3ncccc23)C1=O)=Nc1ccc(OCCO)cc1C |w:10.10,22.25|
CC(C)[C@@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
CC(C)c1[nH]c(cc1C(N)=O)-c1ccncc1
CC(N)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1
CC(NC1CCC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
CC(c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1nccn1
CC1CCC(CC1)NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:11.12,t:9,(.42,-45.49,;.45,-43.95,;-.87,-43.15,;-.85,-41.62,;.49,-40.87,;1.82,-41.65,;1.79,-43.19,;.51,-39.33,;-.9,-38.71,;-2.23,-39.48,;-3.38,-38.44,;-4.88,-38.76,;-5.36,-40.22,;-4.44,-41.48,;-5.36,-42.74,;-6.83,-42.26,;-8.17,-43.03,;-9.5,-42.26,;-9.5,-40.71,;-8.17,-39.94,;-6.83,-40.71,;-2.75,-37.04,;-3.52,-35.71,;-1.22,-37.2,)|
CC1CCN(CC1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8|
CC1CN(CCO1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8|
CC1Cc2c(C)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23
CCCC(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
CCCC(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1
CCCCCCCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:11.11,t:8|
CCCCCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:9.9,t:6|
CCCCNc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
CCCN(C(N)=O)c1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
CCNC(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
CCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:6.6,t:3|
CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
CCOC(=O)C1=C(OC(=Cc2c[nH]c3ncccc23)C1=O)N1CCC(C)CC1 |w:9.9,t:5|
CCOC(=O)C1=C(OC(=Cc2c[nH]c3ncccc23)C1=O)N1CCCCCC1 |w:9.9,t:5|
CCOC(=O)C1=C(OC(=Cc2c[nH]c3ncccc23)C1=O)N1CCc2ccc(OC)cc2C1 |w:9.9,t:5|
CCOC(=O)C1=C(OC(=Cc2c[nH]c3ncccc23)C1=O)N1CCc2ccccc2C1 |w:9.9,t:5|
CCOC(=O)C1C(=O)C(OC1=Nc1ccc(NCCO)cc1C)=Cc1c[nH]c2ncccc12 |w:23.25,11.12|
CCOC(=O)C1C(=O)C(OC1=Nc1ccccc1Cl)=Cc1c[nH]c2ncccc12 |w:19.21,11.12|
CCOC(=O)C1C(C=C(Cc2c[nH]c3ncccc23)C1=O)=Nc1ccc(OCCO)cc1F |w:21.24,t:7|
CCOC(=O)C1C(OC(=Cc2c[nH]c3ncccc23)C1=O)=NN1CCN(CC(F)(F)F)CC1 |w:9.9,21.24|
CCOC(=O)C1C(OC(=Cc2c[nH]c3ncccc23)C1=O)=NN1CCOCC1 |w:9.9,21.24|
CCOC(=O)C1C(OC(=Cc2c[nH]c3ncccc23)C1=O)=Nc1ccc(CN(C)C)cc1C |w:9.9,21.24|
CCOC(=O)C1C(OC(=Cc2c[nH]c3ncccc23)C1=O)=Nc1ccc2c[nH]nc2c1 |w:9.9,21.24|
CCS(=O)(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
CCS(=O)(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1
CC[C@@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
CC[C@@](C)(O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
CC[C@@](C)(O)c1[nH]c(=O)c2sc(c3OCCCc1c23)-c1c[nH]nc1C |r|
CC[C@@](C)(O)c1[nH]c(=O)c2sc(c3OCCCc1c23)-c1ccncc1 |r|
CC[C@](C)(O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
CC[C@](C)(O)c1[nH]c(=O)c2sc(c3OCCCc1c23)-c1c[nH]nc1C |r|
CC[C@](C)(O)c1[nH]c(=O)c2sc(c3OCCCc1c23)-c1ccncc1 |r|
CCc1[nH]c(cc1C(N)=O)-c1ccncc1
CCc1ccc(cc1)-c1cc(nc(=O)[nH]1)-c1ccc2n[nH]cc2c1
CCn1c(cc(C(N)=O)c1-c1ccccc1)-c1ccnc(N)n1
CN(C(C)=O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
CN(C)C(=O)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
CN(C)C(=O)c1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
CN(C)CC(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
CN(C)CCC(=O)Nc1ccc2[nH]cc(-c3cn(Cc4ccccc4)nn3)c2c1
CN(C)CCCC(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
CN(C)CCOC(=O)C1C(OC(=Cc2c[nH]c3ncccc23)C1=O)=Nc1ccc(F)cc1F |w:12.12,24.27|
CN(C)[C@H]1CC[C@@H](CC1)Nc1nc(Cl)cc(n1)-c1c[nH]c2ncccc12 |r,wU:6.9,wD:3.2,(39.49,-29.31,;40.58,-28.23,;42.07,-28.64,;40.19,-26.75,;39.91,-25.24,;38.09,-25.26,;37.12,-24.48,;37.39,-26,;39.14,-25.95,;36.32,-23.16,;37.07,-21.81,;38.61,-21.79,;39.36,-20.43,;40.9,-20.4,;38.56,-19.12,;37.03,-19.15,;36.28,-20.5,;36.25,-17.83,;34.71,-17.7,;34.37,-16.2,;35.69,-15.41,;35.99,-13.89,;37.45,-13.39,;38.6,-14.42,;38.3,-15.92,;36.85,-16.42,)|
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
CN(C)c1ccc(cc1)-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1
CN1CCC(CC1)C(=O)n1nc(N)c2cc(ccc12)-c1cn(Cc2ccccc2)nn1
CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
CN1CCC[C@H]1c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 |r|
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
CN1CCN(CC1)c1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
CN1c2cc(sc2C(=O)NC1(C)CC(F)(F)F)-c1c[nH]nc1C
CNC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1C
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
CNc1nccc(n1)-n1ccc2ccc(cc12)C#N
COC(=O)Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
COC(=O)c1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
COCC(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
COCCN(C)C(=O)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
COCCOC(=O)C1C(=O)C(OC1=Nc1ccccc1Cl)=Cc1c[nH]c2ncccc12 |w:21.23,13.14|
COC[C@@H](N1CCC(F)(F)C1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
COC[C@@H](OC)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
COC[C@@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cccn1 |r|
COC[C@H](N1CCC(F)(F)C1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
COC[C@H](OC)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
COC[C@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cccn1 |r|
CO[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r|
COc1c(Br)ccc2oc3c(nc(CN4CC[C@H](O)C4)[nH]c3=O)c12 |r|
COc1cc2oc3c(nc(CN4CC[C@H](O)C4)[nH]c3=O)c2cc1Br |r|
COc1ccc(CNCc2[nH]c(=O)c3sc(c4OCCCc2c34)-c2ccncc2)cc1
COc1ccc(CNc2n[nH]c3ccc(cc23)-c2cn(Cc3ccccc3)nn2)cc1
COc1ccc(NC(=O)Nc2n[nH]c3ccc(cc23)-c2nnn(Cc3ccccc3)c2-c2ccccc2)cc1
COc1ccc(c(OC)c1)-c1cc(nc(=O)[nH]1)-c1ccnc(N)c1
COc1ccc(c(OC)c1)-c1cc(nc(=O)[nH]1)-c1ccnc(c1)N(C)C
COc1ccc(cc1)-c1[nH]c(cc1C(N)=O)-c1ccncc1
COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
COc1ccc2oc3c(nc(CN4CC[C@H](O)C4)[nH]c3=O)c2c1 |r|
COc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1 |r|
COc1ccc2oc3c(nc([nH]c3=O)[C@@H]3C[C@@H](F)CN3)c2c1 |r|
COc1cccc(c1)-c1[nH]c(cc1C(N)=O)-c1ccncc1
COc1ccccc1-c1[nH]c(cc1C(N)=O)-c1ccncc1
C[C@@H](N1CCC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
C[C@@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
C[C@@H](O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
C[C@@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cc(cn1)C#N |r|
C[C@@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cccn1 |r|
C[C@@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1ccnn1 |r|
C[C@@H]1CCN1Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3O[C@@H](C)Cc1c23 |r|
C[C@@H]1CCN1Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3O[C@H](C)Cc1c23 |r|
C[C@@H]1Cc2c(C)[nH]c(=O)c3sc(c(O1)c23)-c1ccncc1 |r|
C[C@@H]1Cc2c(CN3CC(F)C3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
C[C@@H]1Cc2c(CN3CC(O)C3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
C[C@@H]1Cc2c(CN3CCC(F)(F)C3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
C[C@@H]1Cc2c(CN3CCC3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
C[C@@H]1Cc2c(CN3CC[C@H](F)C3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
C[C@@H]1Cc2c([nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23)C(C)(C)O |r|
C[C@@](O)(C1CC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
C[C@H](N1CCC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
C[C@H](NC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1)c1ccccc1 |r,w:6.6,t:3|
C[C@H](NC1=NC(=O)C(S1)=Cc1c[nH]c2ncccc12)c1ccccc1 |r,w:9.10,t:3|
C[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
C[C@H](O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
C[C@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cc(cn1)C#N |r|
C[C@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cccn1 |r|
C[C@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1ccnn1 |r|
C[C@H]1CCN1Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3O[C@@H](C)Cc1c23 |r|
C[C@H]1CCN1Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3O[C@H](C)Cc1c23 |r|
C[C@H]1Cc2c(C)[nH]c(=O)c3sc(c(O1)c23)-c1ccncc1 |r|
C[C@H]1Cc2c(CN3CC(F)C3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
C[C@H]1Cc2c(CN3CC(O)C3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
C[C@H]1Cc2c(CN3CCC(F)(F)C3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
C[C@H]1Cc2c(CN3CCC3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
C[C@H]1Cc2c(CN3CC[C@H](F)C3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
C[C@H]1Cc2c([nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23)C(C)(C)O |r|
C[C@](O)(C1CC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCC(F)(F)Cc1c23
Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCc1c23
Cc1[nH]c(=O)c2sc(c3OCCCc1c23)-c1ccncc1
Cc1[nH]c(=O)c2sc(c3OCCc1c23)-c1ccncc1
Cc1[nH]c(cc1C(N)=O)-c1ccncc1
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Cc1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1
Cc1cc(Br)cc2c3nc(CN4CC[C@H](O)C4)[nH]c(=O)c3oc12 |r|
Cc1cc(F)ccc1N=C1CC(=O)C(O1)=Cc1c[nH]c2ncccc12 |w:15.17,8.8|
Cc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12
Cc1cc(cc(NCc2ccccc2)n1)-c1c[nH]c2ncccc12
Cc1cc(cc(N[C@H]2CC[C@H](O)CC2)n1)-c1c[nH]c2ncccc12 |r,wU:7.6,wD:10.10,(29,-13.79,;29.01,-15.33,;27.68,-16.1,;27.68,-17.64,;29.01,-18.42,;30.35,-17.64,;31.68,-18.41,;33.02,-17.64,;33,-16.1,;34.34,-15.34,;35.67,-16.11,;37.01,-15.34,;35.67,-17.65,;34.34,-18.41,;30.34,-16.09,;26.34,-18.41,;26.18,-19.94,;24.67,-20.27,;23.9,-18.93,;22.4,-18.62,;21.92,-17.16,;22.95,-16.01,;24.46,-16.33,;24.93,-17.79,)|
Cc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccccc1
Cc1cc2oc3c(nc(CN4CC[C@H](O)C4)[nH]c3=O)c2cc1Br |r|
Cc1ccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)cc1 |w:10.10,t:7|
Cc1ccc(cc1)-c1[nH]c(cc1C(N)=O)-c1ccncc1
Cc1ccc(cc1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8|
Cc1cccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)c1 |w:11.11,t:8|
Cc1cccc(c1)-c1[nH]c(cc1C(N)=O)-c1ccncc1
Cc1cccc(c1)C1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:10.11,t:8|
Cc1ccccc1-c1c(nnn1CC1CCOCC1)-c1ccc2[nH]nc(N)c2c1 |(11.93,-1.26,;10.78,-.23,;11.1,1.27,;9.96,2.3,;8.49,1.83,;8.17,.32,;9.32,-.71,;9,-2.22,;7.59,-2.84,;7.75,-4.37,;9.26,-4.69,;10.03,-3.36,;11.56,-3.2,;12.47,-4.45,;11.84,-5.85,;12.74,-7.1,;14.28,-6.94,;14.9,-5.53,;14,-4.28,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;3.59,-2.07,;4.92,-2.84,)|
Cc1ccccc1-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1 |(11.93,-1.26,;10.78,-.23,;11.1,1.27,;9.96,2.3,;8.49,1.83,;8.17,.32,;9.32,-.71,;9,-2.22,;7.59,-2.84,;7.75,-4.37,;9.26,-4.69,;10.03,-3.36,;11.56,-3.2,;12.47,-4.45,;14,-4.28,;14.9,-5.53,;14.28,-6.94,;12.74,-7.1,;11.84,-5.85,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;3.59,-2.07,;4.92,-2.84,)|
Cc1ccsc1CN=C1CC(=O)C(O1)=Cc1c[nH]c2ncccc12 |w:14.16,7.7|
Cc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1
Cc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1C |(1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;7.59,-2.84,;7.75,-4.37,;9.26,-4.69,;10.03,-3.36,;11.56,-3.2,;12.47,-4.45,;14,-4.28,;14.9,-5.53,;14.28,-6.94,;12.74,-7.1,;11.84,-5.85,;9,-2.22,;9.32,-.71,;8.17,.32,;8.49,1.83,;9.96,2.3,;11.1,1.27,;10.78,-.23,;11.93,-1.26,)|
Cc1n[nH]cc1-c1cc2NC3(CCCCC3)NC(=O)c2s1
Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)C3CCCCC3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(72.5,-50.69,;72.02,-49.23,;70.56,-48.75,;70.56,-47.21,;72.02,-46.74,;72.93,-47.98,;74.47,-47.98,;75.38,-49.23,;76.85,-48.75,;78.18,-49.51,;79.5,-48.75,;79.5,-50.29,;80.82,-51.06,;82.16,-50.3,;83.7,-50.3,;82.16,-48.76,;80.83,-47.98,;82.93,-51.63,;82.15,-52.96,;82.92,-54.29,;84.46,-54.3,;85.23,-52.97,;84.47,-51.62,;79.51,-47.21,;78.18,-46.43,;78.18,-44.89,;76.85,-47.2,;75.38,-46.72,)|
Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(40.37,-51.96,;39.89,-50.5,;38.42,-50.02,;38.42,-48.48,;39.89,-48.01,;40.79,-49.25,;42.33,-49.24,;43.25,-50.5,;44.72,-50.02,;46.04,-50.78,;47.37,-50.02,;47.36,-51.56,;48.68,-52.33,;50.02,-51.57,;51.56,-51.57,;50.03,-50.03,;48.7,-49.25,;50.79,-52.9,;50.02,-54.23,;50.79,-55.57,;52.33,-55.57,;53.1,-56.89,;53.1,-54.22,;52.33,-52.9,;47.37,-48.48,;46.04,-47.7,;46.05,-46.16,;44.72,-48.47,;43.25,-48,)|
Cc1n[nH]cc1-c1cc2nc(CC3CCCC3)[nH]c(=O)c2s1
Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC2CCN1CC2 |wD:16.18,(23.9,-5.5,;23.5,-6.99,;22.05,-7.46,;22.05,-9,;23.5,-9.47,;24.42,-8.23,;25.96,-8.23,;26.79,-6.94,;28.26,-7.33,;29.55,-6.49,;30.92,-7.17,;31.02,-8.7,;29.74,-9.56,;29.74,-11.1,;28.36,-8.87,;26.92,-9.42,;32.26,-6.4,;32.26,-4.86,;33.59,-4.09,;34.93,-4.86,;34.93,-6.4,;33.59,-7.17,;33.99,-5.69,;33.19,-5.58,)|
Cc1n[nH]cc1-c1sc2c3c1OCCCc3c(C)[nH]c2=O
Cc1n[nH]cc1-c1sc2c3c1OCCCc3c(Cn1cccn1)[nH]c2=O
Cc1n[nH]cc1-c1sc2c3c1OCCc3c(C)[nH]c2=O
Cl.Cl.CN(C)Cc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C12CC(C1)CN2 |(44.2,-7.72,;43.11,-5.71,;31.25,-8.66,;30.77,-7.21,;29.3,-6.74,;29.3,-5.2,;30.76,-4.72,;31.68,-5.96,;33.22,-5.94,;34.12,-7.19,;35.58,-6.69,;36.92,-7.46,;38.25,-6.69,;38.25,-5.15,;36.92,-4.38,;36.92,-2.84,;35.58,-5.15,;34.11,-4.69,;39.57,-7.47,;40.98,-6.84,;42,-7.99,;40.57,-8.32,;41.24,-9.32,;39.73,-9,)|
Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r|
Cl.FC(F)(F)c1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r|
Clc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12
Clc1ccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)cc1 |w:10.10,t:7|
Clc1ccc(CNc2n[nH]c3ccc(cc23)-c2cn(Cc3ccccc3)nn2)cc1
Clc1ccc(CNc2n[nH]c3ccc(cc23)-c2nnn(Cc3ccccc3)c2C2CC2)cc1
Clc1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c(Cl)c1
Clc1ccc(cc1)S(=O)(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1
Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1 |r|
Clc1cccc(CNC2=NC(=Cc3c[nH]c4ncccc34)C(=O)N2)c1 |w:11.11,t:8|
Clc1cccc(c1)-c1cc(nc(=O)[nH]1)-c1ccc2n[nH]cc2c1
Clc1cccc(c1)-c1cc(nc(=O)[nH]1)-c1ccncc1
Clc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
Clc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1
Clc1cccc(c1)C(=O)c1c(nnn1CC1CCOCC1)-c1ccc2[nH]ncc2c1
Clc1ccccc1CNc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1
Clc1ccccc1S(=O)(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1
Clc1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1
Cn1c(cc(C(N)=O)c1-c1ccccc1)-c1ccnc(N)n1
Cn1c(cc2c(Cl)ccnc12)-c1ccc(cc1)N1CCNCC1
Cn1c(cc2c(ccnc12)C#N)-c1ccc(cc1)N1CCNCC1
Cn1c(cc2ccccc12)-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1
Cn1cc(-c2[nH]c(cc2C(N)=O)-c2ccnc(N)n2)c2ccccc12
Cn1cc(cn1)-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1
Cn1ccnc1-c1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
FC(F)(F)c1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c(c1)C(F)(F)F
FC(F)(F)c1cccc(c1)-c1cc(nc(=O)[nH]1)-c1ccc2[nH]ncc2c1
FC1(F)CCN(Cc2[nH]c(=O)c3sc(-c4cn[nH]c4)c4OCCCc2c34)C1
FC1(F)COc2c(sc3c2c(C1)c(CN1CCC1)[nH]c3=O)-c1cn[nH]c1
F[C@@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 |r|
F[C@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 |r|
F[C@H]1CN[C@@H](C1)c1nc2c3cc(Cl)ccc3oc2c(=O)[nH]1 |r|
Fc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12
Fc1cc2cc(ccc2cn1)-c1nnc(NCc2ccccc2)o1
Fc1ccc(CNc2n[nH]c3ccc(cc23)-c2cn(Cc3ccccc3)nn2)c(F)c1
Fc1ccc(CNc2nnc(o2)-c2c[nH]c3ncccc23)cc1
Fc1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)cc1
Fc1ccc(cc1)-c1c(nnn1CC1CCOCC1)-c1ccc2[nH]ncc2c1
Fc1ccc2c(c[nH]c2n1)-c1nnc(N[C@H](C2CC2)c2cccnc2F)o1 |r|
Fc1cccc(CNC(=O)CC2CNC(=O)c3cc(cn23)-c2cn[nH]c2)c1
Fc1cccc(CNc2n[nH]c3ccc(cc23)-c2cn(Cc3ccccc3)nn2)c1
Fc1cccc(CNc2nnc(o2)-c2c[nH]c3ncccc23)c1
Fc1cccc(c1)-c1cc(nc(=O)[nH]1)-c1ccc2n[nH]cc2c1
Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1
Fc1ccccc1-c1cc(nc(=O)[nH]1)-c1ccc2n[nH]cc2c1
Fc1ccccc1CNc1nnc(o1)-c1c[nH]c2ncccc12
Fc1ccccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Fc1ccccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncncc12)C1CC1 |r|
Fc1cnc2[nH]cc(-c3nnc(N[C@H](C4CC4)c4cccnc4F)o3)c2c1 |r|
Fc1cnccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Fc1ncccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
N#Cc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12
N#Cc1cc(cc(NCc2ccccc2)n1)-c1c[nH]c2ncccc12
N#Cc1ccc(CNc2n[nH]c3ccc(cc23)-c2cn(Cc3ccccc3)nn2)cc1
N#Cc1ccc2ccn(-c3ccncn3)c2c1
N#Cc1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1
NC(=O)N(Cc1ccccc1)c1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1
NC(=O)N(c1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1)c1ccccc1Cl
NC(=O)c1c(C=C)c([nH]c1-c1ccccc1)-c1ccnc(N)n1
NC(=O)c1c(Cl)c([nH]c1-c1ccccc1)-c1ccnc(N)n1
NC(=O)c1c(I)c([nH]c1-c1ccccc1)-c1ccnc(N)n1
NC(=O)c1c[nH]c(c1)-c1ccncc1
NC(=O)c1cc(-c2ccnc(N)n2)n(CC(F)(F)F)c1-c1ccccc1
NC(=O)c1cc(-c2ccnc(N)n2)n(CCO)c1-c1ccccc1
NC(=O)c1cc([nH]c1-c1cc2ccccc2o1)-c1ccnc(N)n1
NC(=O)c1cc([nH]c1-c1cc2ccccc2s1)-c1ccnc(N)n1
NC(=O)c1cc([nH]c1-c1ccc(Br)cc1)-c1ccncc1
NC(=O)c1cc([nH]c1-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1cc([nH]c1-c1ccc(cc1)[N+]([O-])=O)-c1ccncc1
NC(=O)c1cc([nH]c1-c1ccc2ccccc2c1)-c1ccnc(N)n1
NC(=O)c1cc([nH]c1-c1ccc2sccc2c1)-c1ccnc(N)n1
NC(=O)c1cc([nH]c1-c1cccc(Br)c1)-c1ccncc1
NC(=O)c1cc([nH]c1-c1cccc(F)c1)-c1ccncc1
NC(=O)c1cc([nH]c1-c1cccc(c1)C#N)-c1ccncc1
NC(=O)c1cc([nH]c1-c1cccc(c1)[N+]([O-])=O)-c1ccncc1
NC(=O)c1cc([nH]c1-c1cccc2ccccc12)-c1ccnc(N)n1
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)c1
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(Nc2ccccc2)n1
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccncc1
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccncc1F
NC(=O)c1cc([nH]c1-c1ccccc1)-c1nc(N)ncc1Br
NC(=O)c1cc([nH]c1-c1ccccc1)-c1nc(N)ncc1Cl
NC(=O)c1cc([nH]c1-c1ccccc1)-c1nc(N)ncc1F
NC(=O)c1cc([nH]c1-c1ccccc1C#N)-c1ccncc1
NC(=O)c1cc([nH]c1-c1ccccc1F)-c1ccncc1
NC(=O)c1cc([nH]c1-c1ccccc1[N+]([O-])=O)-c1ccncc1
NC(=O)c1cc([nH]c1-c1ccccn1)-c1ccnc(N)n1
NC(=O)c1cc([nH]c1-c1cccs1)-c1ccnc(N)n1
NC(=O)c1cc([nH]c1-c1ccncc1)-c1ccncc1
NC(=O)c1cc([nH]c1-c1ccsc1)-c1ccnc(N)n1
NC(=O)c1cc([nH]c1-c1csc2ccccc12)-c1ccnc(N)n1
NC(=O)c1cc([nH]c1Br)-c1ccncc1
NC(=O)c1cc([nH]c1C1CCCCC1)-c1ccncc1
NC(=O)c1cc([nH]c1C1CCNCC1)-c1ccncc1
NC(=O)c1cc([nH]c1Cc1ccccc1)-c1ccncc1
NC(=O)c1cc(cc(N[C@H]2CC[C@H](O)CC2)n1)-c1c[nH]c2ncccc12 |r,wU:9.8,wD:12.12,(34.56,-37.23,;33.23,-38,;31.9,-37.24,;33.24,-39.54,;31.91,-40.31,;31.91,-41.86,;33.24,-42.63,;34.58,-41.86,;35.91,-42.62,;37.25,-41.85,;37.23,-40.32,;38.57,-39.55,;39.9,-40.32,;41.24,-39.55,;39.9,-41.86,;38.57,-42.63,;34.57,-40.3,;30.57,-42.62,;30.41,-44.15,;28.9,-44.48,;28.13,-43.14,;26.63,-42.83,;26.15,-41.37,;27.19,-40.22,;28.69,-40.54,;29.16,-42,)|
NC(=O)c1cc(oc1-c1ccccc1)-c1ccnc(N)n1
NC(=O)c1cc(sc1-c1ccccc1)-c1ccnc(N)n1
NC1CCN(CC1)C(=O)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
NCCCn1c(cc(C(N)=O)c1-c1ccccc1)-c1ccnc(N)n1
NCCn1c(cc(C(N)=O)c1-c1ccccc1)-c1ccnc(N)n1
NCc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
NCc1[nH]c(=O)c2sc(c3OCCCc1c23)-c1ccncc1
NCc1[nH]c(cc1C(N)=O)-c1ccncc1
N[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r|
N[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r|
N[C@H]1CC[C@@H](CC1)Nc1cc(cc(F)n1)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(17.72,-27.15,;16.38,-27.92,;15.05,-27.15,;13.71,-27.92,;13.73,-29.45,;15.05,-30.23,;16.38,-29.46,;12.39,-30.23,;11.06,-29.46,;9.72,-30.23,;8.39,-29.46,;8.39,-27.91,;9.72,-27.14,;9.71,-25.6,;11.05,-27.91,;7.05,-30.23,;6.89,-31.76,;5.38,-32.08,;4.61,-30.75,;3.11,-30.43,;2.63,-28.97,;3.67,-27.82,;5.17,-28.14,;5.64,-29.6,)|
Nc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
Nc1cc(ccn1)-n1ccc2ccc(cc12)C#N
Nc1cc(ncn1)-n1ccc2ccc(cc12)C#N
Nc1cc(ncn1)-n1ccc2ccc(nc12)C#N
Nc1cccc(n1)-n1ccc2ccc(cc12)C#N
Nc1ccnc(n1)-n1ccc2ccc(cc12)C#N
Nc1cnc2[nH]cc(C=C3N=C(NCc4ccccc4)NC3=O)c2c1 |w:8.7,t:10|
Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
Nc1n[nH]c2ccc(cc12)-c1nnc(NCc2ccccc2)o1
Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1
Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1
Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1cccc(c1)N1CCOCC1
Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1
Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1cccs1
Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1
Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CCCCC1
Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1CC1CCCC1
Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1CC1CCCCC1
Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1Cc1ccccc1
Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1I
Nc1nccc(n1)-c1cc(C(=O)NCc2ccccc2)c([nH]1)-c1ccccc1
Nc1nccc(n1)-n1cc(-c2cc[nH]n2)c2cnccc12
Nc1nccc(n1)-n1cc(-c2ccc(Cl)cc2)c2cnccc12
Nc1nccc(n1)-n1cc(-c2cccc(Cl)c2)c2cnccc12
Nc1nccc(n1)-n1cc(-c2ccccc2)c2cnccc12
Nc1nccc(n1)-n1cc(-c2ccccc2Cl)c2cnccc12
Nc1nccc(n1)-n1cc(-c2cccnc2)c2cnccc12
Nc1nccc(n1)-n1cc(-c2cccnc2Cl)c2cnc(Cl)cc12
Nc1nccc(n1)-n1cc(-c2cccnc2Cl)c2cnccc12
Nc1nccc(n1)-n1cc(-c2ccncc2)c2cnccc12
Nc1nccc(n1)-n1cc(-c2ccoc2)c2cnccc12
Nc1nccc(n1)-n1cc(C2=CCOCC2)c2cnccc12 |t:11|
Nc1nccc(n1)-n1ccc2cc(ccc12)C#N
Nc1nccc(n1)-n1ccc2ccc(Br)cc12
Nc1nccc(n1)-n1ccc2ccc(Cl)cc12
Nc1nccc(n1)-n1ccc2ccc(F)cc12
Nc1nccc(n1)-n1ccc2ccc(O)cc12
Nc1nccc(n1)-n1ccc2ccc(cc12)C#C
Nc1nccc(n1)-n1ccc2ccc(cc12)C#N
Nc1nccc(n1)-n1ccc2ccc(cc12)C(F)(F)F
Nc1nccc(n1)-n1ccc2ccc(cc12)[N+]([O-])=O
Nc1nccc(n1)-n1ccc2ccccc12
Nc1nccc(n1)-n1ccc2cccnc12
Nc1nccc(n1)-n1ccc2ccncc12
Nc1nccc(n1)-n1ccc2cnc(Cl)cc12
Nc1nccc(n1)-n1ccc2cnc(cc12)C#N
Nc1nccc(n1)-n1ccc2cnccc12
Nc1nccc(n1)-n1ccc2ncc(cc12)C#N
Nc1nccc(n1)-n1ccc2ncccc12
O=C(CN1CCNC(=O)C1)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
O=C(CNC1CCC1)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
O=C(CNC1CCCCC1)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
O=C(N1CCCC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
O=C(N1CCCCC1)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
O=C(N1CCOCC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
O=C(N1CCOCC1)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
O=C(NCCN1CCOCC1)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|
O=C(Nc1ccccc1)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
O=C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1
O=C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1
O=C(Nc1nn(C(=O)c2ccccc2)c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1)c1ccccc1
O=C1CC(OC1=Cc1c[nH]c2ncccc12)=NC1CCCCCC1 |w:6.7,16.19|
O=C1CC(OC1=Cc1c[nH]c2ncccc12)=Nc1ccc2[nH]ncc2c1 |w:6.7,16.19|
O=C1CCCN1Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
O=C1CCCN1c1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
O=C1Cc2cc(ccc2N1)-c1nnc(NCc2ccccc2)o1
O=C1N=C(NCc2ccccc2)SC1=Cc1c[nH]c2ncccc12 |w:14.16,t:2|
O=C1N=C(NCc2ccco2)SC1=Cc1c[nH]c2ncccc12 |w:13.15,t:2|
O=C1NC(=NC1=Cc1c[nH]c2ncccc12)N1CCCCC1 |w:6.7,c:3|
O=C1NC(=NC1=Cc1c[nH]c2ncccc12)N1CCOCC1 |w:6.7,c:3|
O=C1NC(=NC1=Cc1c[nH]c2ncccc12)c1ccccc1 |w:6.7,c:3|
O=C1NC(=NC1=Cc1c[nH]c2ncccc12)c1cccnc1 |w:6.7,c:3|
O=C1NC(=N\C1=C/c1c[nH]c2ccccc12)c1ccccc1 |c:3|
O=C1NC(NC2CC2)=NC1=Cc1c[nH]c2ncccc12 |w:10.12,c:8|
O=C1NC(NC2CCCCC2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11|
O=C1NC(NCC23CC4CC(CC(C4)C2)C3)=NC1=Cc1c[nH]c2ncccc12 |w:18.22,c:18,TLB:9:10:8.13.7:14,THB:9:8:10.11.15:14,11:10:7:13.12.14,11:12:9.10.15:7|
O=C1NC(NCC2CCCCC2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12|
O=C1NC(NCC2CCCO2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11|
O=C1NC(NCCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:15.17,c:13|
O=C1NC(NCc2ccccc2)=NC1=Cc1c[nH]c2ncccc12 |w:14.16,c:12|
O=C1NC(NCc2ccco2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11|
O=C1NC(NCc2cccs2)=NC1=Cc1c[nH]c2ncccc12 |w:13.15,c:11|
O=C1NCCc2[nH]c(cc12)-c1ccncc1
O=S(=O)(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1
O=S(=O)(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1)c1ccccc1
O=c1[nH]c(CC#N)c2CCCOc3c(sc1c23)-c1cn[nH]c1
O=c1[nH]c(CN2CCC2)c2CCCOc3c(sc1c23)-c1ccncc1
O=c1[nH]c(CN2CCC2)c2CCCOc3c(sc1c23)-c1cn[nH]c1
O=c1[nH]c(CN2CCCC2)nc2cc(sc12)-c1ccncc1
O=c1[nH]c(CN2CCCC2)nc2cc(sc12)-c1cn[nH]c1
O=c1[nH]c(CN2CCCCC2)c2CCCOc3c(sc1c23)-c1cn[nH]c1
O=c1[nH]c(COC2CCC2)c2CCCOc3c(sc1c23)-c1cn[nH]c1
O=c1[nH]c(Cn2cccn2)c2CCCOc3c(sc1c23)-c1ccncc1
O=c1[nH]c(Cn2cccn2)c2CCCOc3c(sc1c23)-c1ccncn1
O=c1[nH]c(Cn2cccn2)c2CCCOc3c(sc1c23)-c1cn[nH]c1
O=c1[nH]c(Cn2ccnc2)c2CCCOc3c(sc1c23)-c1cn[nH]c1
O=c1[nH]c2ccc(cc2o1)-c1nnc(NCc2ccccc2)o1
O=c1cc(cc(NC2CCCCC2)[nH]1)-c1c[nH]c2ncccc12
O=c1nc(cc([nH]1)-c1ccc(OCc2ccccc2)cc1)-c1ccc2[nH]ncc2c1
O=c1nc(cc([nH]1)-c1ccc(cc1)N1CCNCC1)-c1ccc2[nH]ncc2c1
O=c1nc(cc([nH]1)-c1ccc2n[nH]cc2c1)-c1ccccc1
O=c1nc(cc([nH]1)-c1cccc(OCc2ccccc2)c1)-c1ccc2[nH]ncc2c1
OC(=O)C1C(OC(=Cc2c[nH]c3ncccc23)C1=O)=Nc1ccccc1 |w:7.7,19.22|
OC(=O)C1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
OC1(CCCC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
OC1CN(C1)C(=O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
OC1CN(Cc2[nH]c(=O)c3sc(-c4cn[nH]c4)c4OCCCc2c34)C1
OCCCOC(=O)C1C(=O)C(OC1=Nc1ccc(F)cc1)=Cc1c[nH]c2ncccc12 |w:21.23,13.14|
OCCNC1=NC(=Cc2c[nH]c3ncccc23)C(=O)N1 |w:7.7,t:4|
O[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r|
O[C@H]1CCN(Cc2[nH]c(=O)c3sc(-c4cn[nH]c4)c4OCCCc2c34)C1 |r|
O[C@H]1CCN(Cc2[nH]c(=O)c3sc(c4OCCCc2c34)-c2ccncc2)C1 |r|
O[C@H]1CCN(Cc2nc3c(oc4ccc5OCOc5c34)c(=O)[nH]2)C1 |r|
O[C@H]1CCN(Cc2nc3c4cc(Br)c(O)cc4oc3c(=O)[nH]2)C1 |r|
O[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r|
O[C@H]1CCN(Cc2nc3c4cc(Cl)ccc4oc3c(=O)[nH]2)C1 |r|
O[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 |r|
O[C@H]1CC[C@@H](CC1)Nc1cc(cc(F)n1)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(71.14,-14.48,;69.8,-15.24,;68.47,-14.47,;67.13,-15.24,;67.14,-16.78,;68.47,-17.55,;69.8,-16.78,;65.81,-17.55,;64.48,-16.78,;63.14,-17.55,;61.8,-16.78,;61.81,-15.24,;63.14,-14.47,;63.13,-12.93,;64.47,-15.23,;60.47,-17.55,;60.31,-19.08,;58.8,-19.4,;58.03,-18.07,;56.53,-17.75,;56.05,-16.3,;57.08,-15.14,;58.59,-15.47,;59.06,-16.93,)|
O[C@H]1CC[C@@H](CC1)Nc1cc(cc(n1)C#N)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(19.06,-40.41,;17.72,-41.18,;16.38,-40.41,;15.04,-41.18,;15.06,-42.71,;16.39,-43.49,;17.71,-42.72,;13.73,-43.48,;12.39,-42.72,;11.05,-43.49,;9.72,-42.72,;9.72,-41.17,;11.05,-40.4,;12.39,-41.17,;11.04,-38.87,;11.03,-37.33,;8.39,-43.49,;8.22,-45.02,;6.72,-45.34,;5.94,-44,;4.44,-43.69,;3.97,-42.23,;5,-41.08,;6.5,-41.4,;6.98,-42.86,)|
O[C@H]1CC[C@@H](CC1)Nc1nc(Cl)cc(n1)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(29.96,-30.16,;29.85,-28.62,;29.57,-27.1,;27.75,-27.13,;26.77,-26.34,;27.05,-27.87,;28.79,-27.81,;25.98,-25.03,;26.73,-23.68,;28.27,-23.66,;29.01,-22.3,;30.55,-22.27,;28.22,-20.99,;26.69,-21.02,;25.94,-22.36,;25.9,-19.71,;24.37,-19.57,;24.02,-18.07,;25.34,-17.28,;25.64,-15.76,;27.1,-15.27,;28.26,-16.29,;27.96,-17.79,;26.5,-18.29,)|
O[C@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 |r|
Oc1ccc(cc1)-c1cc(nc(=O)[nH]1)-c1ccccc1
[O-][N+](=O)c1cnc2[nH]cc(C=C3N=C(NCc4ccccc4)NC3=O)c2c1 |w:10.9,t:12|
c1n[nH]c2ccc(cc12)-c1cn(nn1)-c1ccccc1