1719 SMILES Strings for Cyclin-dependent kinase 5 activator 1

Compound Name
SMILES String
Nc1nc(Cl)c2ncn(C3CC=CC3)c2n1 |c:11|
CC(C)n1cnc2c(Cl)nc(I)nc12
CN(CC=C)c1nc(I)nc2n(C)cnc12
CC(C)n1cnc2c(nc(I)nc12)N(C)CC=C
CC(C)n1cnc2c(NCc3ccccc3)nc(I)nc12
Ic1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
Ic1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1
Ic1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1
CN(CC=C)c1nc(NCCO)nc2n(C)cnc12
CC(C)n1cnc2c(nc(NCCO)nc12)N(C)CC=C
CC(C)n1cnc2c(nc(NCCO)nc12)N1CCC=CC1 |c:21|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N(CCO)Cc1ccccc1
CC(C)n1cnc2c(NCc3ccccc3)nc(NCC(O)c3ccccc3)nc12
CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc12 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)nc12 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)Cc3ccccc3)nc12 |r|
CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
C[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
C[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC(O)C1
OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1 |r|
OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r|
OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1 |r|
Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO
CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |r|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:3.2,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]cc(Br)c12 |w:7.8,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Cl)c(Cl)c12 |w:7.8,t:1|
CC1CC(=C2NC(N)=NC2=O)c2c(Br)c(Br)[nH]c2C(=O)N1 |w:3.2,c:7|
CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:10.11,t:4|
CCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:9.10,t:3|
NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3ccccc3c12 |w:3.2,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(F)cc3c12 |w:7.8,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Cl)cc3c12 |w:7.8,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:7.8,t:1|
CS(=O)(=O)c1ccc2[nH]c3c(C(CCNC3=O)=C3NC(N)=NC3=O)c2c1 |w:11.11,c:21|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(cc3c12)N(=O)=O |w:7.8,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(N)cc3c12 |w:7.8,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(cccc3c12)N(=O)=O |w:7.8,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(N)cccc3c12 |w:7.8,t:1|
CC1CC(=C2NC(N)=NC2=O)c2c([nH]c3ccc(Br)cc23)C(=O)N1 |w:3.2,c:7|
CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:10.11,t:4|
Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12
OC(=O)c1ccccc1NN=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:10.10|
OC(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c(Br)c(Br)c23)cc1 |w:8.7|
Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccccn1 |w:13.15|
Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccc(cc1)N(=O)=O |w:13.15|
NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c(Br)c(Br)c23)cc1 |w:9.8|
Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ncccn1 |w:13.15|
Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1cccnc1 |w:13.15|
Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccncc1 |w:13.15|
Clc1ccc2c(NN=C3CCNC(=O)c4[nH]c(Br)c(Br)c34)ccnc2c1 |w:7.6|
O=C1NCCC(=NNc2ccccn2)c2cc([nH]c12)-c1ccccc1 |w:6.6|
Clc1[nH]c2c(c1Cl)C(CCNC2=O)=NNc1ccccn1 |w:13.15|
O=C1NCCC(=NNc2ccccn2)c2c1[nH]c1ccccc21 |w:6.6|
Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|
Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|
Brc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|
Nc1cccc2c3c([nH]c12)C(=O)NCCC3=NNc1ccccn1 |w:16.19|
Clc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)nc1 |w:6.5|
FC(F)(F)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)nc1 |w:9.8|
Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)N(=O)=O)c2c1 |w:14.15|
Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3)c2c1 |w:14.15|
COc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)cn1 |w:7.6|
Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3Cl)c2c1 |w:14.15|
Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(Cl)nc3)c2c1 |w:14.15|
Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccncc3)c2c1 |w:14.15|
NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)nc1 |w:9.8|
Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(Cl)cn3)c2c1 |w:14.15|
Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)C(F)(F)F)c2c1 |w:14.15|
Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3)c2c1 |w:14.15|
COc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cn1 |w:7.6|
Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3Cl)c2c1 |w:14.15|
NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)nc1 |w:9.8|
Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)NCC22CCCCC2)nc1
CN1CC2(CCCCC2)N(C1=O)c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)N(Cc3ccccc3)CC22CCCCC2)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CCNC2=O)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CC(=O)NCC22CCCCC2)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=NCC22CCCCC2)c2ccccc2)nc1 |c:21|
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=NCC22CCCCC2)c2ccoc2)nc1 |c:21|
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=NCC22CCCCC2)c2ccsc2)nc1 |c:21|
NS(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
C[C@@H]1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C(C)(C)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C(C)(C)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCC2)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(CCNC4=O)c3n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4CCCCN4c3n2)nc1
CCOC(=O)C1C2CCCCN2c2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2C1=O
CN1CCN(CC1)c1ccc(Nc2ncc3C=CC4=NCCC5(CCCCC5)N4c3n2)nc1 |c:17,t:19|
NS(=O)(=O)c1ccc(Nc2ncc3cc4NN=CC5(CCCCC5)n4c3n2)cc1 |c:16|
CN1N=CC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |c:2|
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1C(=O)N(C)c2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1=NNc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1 |t:1|
CN1N=C(C)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |t:2|
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(=O)(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN(C)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CNC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
O=C(N1CCOCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)|
Oc1[nH]c2ccc(I)cc2c1-c1[nH]c2ccccc2c1N=O |(3.16,-9.8,;3.62,-8.34,;5.09,-7.85,;5.07,-6.31,;6.21,-5.28,;5.89,-3.79,;4.42,-3.31,;4.09,-1.8,;3.27,-4.35,;3.6,-5.84,;2.71,-7.09,;1.17,-7.1,;.26,-8.36,;-1.21,-7.89,;-2.54,-8.66,;-3.87,-7.89,;-3.87,-6.35,;-2.54,-5.58,;-1.21,-6.35,;.26,-5.86,;.73,-4.39,;-.32,-3.25,)|
CN1CCCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
CN1CCCC[C@@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
CN1CCC[C@@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
COc1cc(O)c(C2CCCCN2)c2oc(cc(=O)c12)-c1ccccc1
CN1CCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
CCCCC[C@@H](NC)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1C1CCCN1
CCCCC[C@H](NC)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1C1CCCCN1
COc1cc(O)c(C2CCCCN2C)c2oc(cc(=O)c12)-c1ccccc1
Nc1nc2c(nccc2[nH]1)-c1cccs1
Nc1nc2c(nccc2[nH]1)-c1ccco1
Nc1nc2c(nccc2[nH]1)-c1ccsc1
Nc1nc2c(nccc2[nH]1)-c1cccnc1
Nc1nc2c(nccc2[nH]1)-c1ccccn1
Nc1nc2c(nccc2[nH]1)-c1ccccc1
O=C(\C=C\c1cccc2c3CC(=O)Nc4ncccc4-c3[nH]c12)c1ccccc1
O=C(Nc1ccccc1)\C=C\c1cccc2c3CC(=O)Nc4ncccc4-c3[nH]c12
Cc1c2C(=O)NCC(O)Cn2c2ccccc12
OC1CNC(=O)c2c(C#N)c3ccccc3n2C1
OC1CNC(=O)c2c(-c3ccccc3)c3ccccc3n2C1
CCCC#Cc1c2C(=O)NCC(O)Cn2c2ccccc12
COC(=O)\C=C\c1c2C(=O)NCC(O)Cn2c2ccccc12
CCCCCc1c2C(=O)NCC(O)Cn2c2ccccc12
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
OC1CNC(=O)c2[nH]c3ccccc3c2C1
Cn1c2c(CC(O)CNC2=O)c2ccccc12
OC1CNC(=O)c2c(I)c3ccccc3n2C1
COc1cccc2n3CC(O)CNC(=O)c3c(I)c12
COc1ccc2n3CC(O)CNC(=O)c3c(I)c2c1
COc1ccc2c(I)c3C(=O)NCC(O)Cn3c2c1
OC1CNC(=O)c2c(I)c3ccc(OCc4ccccc4)cc3n2C1
OC1CNC(=O)c2c(Br)c3ccccc3n2C1
COc1ccc2c(Br)c3C(=O)NCC(O)Cn3c2c1
OC1CNC(=O)c2c(I)c3ccc(O)cc3n2C1
COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Cc1[nH]cnc1-c1[nH]ccc2c3ccccc3nc12
[O-][N+](=O)c1ccc(Cl)c(c1)-c1nccc2c1[nH]c1ccccc21
COc1ccc2c(c1)[nH]c1c(C)nccc21
Cc1nccc2c3ccc(F)cc3[nH]c12
CN(C)NC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1
Fc1c(F)c(F)c(CONC(=O)Nc2csc(Cc3c(Cl)cccc3Cl)n2)c(F)c1F
CC(C)(C)ONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1
CN(NC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1)c1ccccc1
Clc1cccc(Cl)c1Cc1nc(NC(=O)NN2CCCCCC2)cs1
CNNCC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1
Clc1cccc(Cl)c1Cc1nc(NC(=O)NN2CCOCC2)cs1
CNNC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1
Clc1cccc(Cl)c1Cc1nc(NC(=O)NNc2ccccc2)cs1
Clc1cccc(Cl)c1Cc1nc(NC(=O)NOCC=C)cs1
Clc1cccc(Cl)c1Cc1nc(NC(=O)NOC2CCCCO2)cs1
Clc1cccc(Cl)c1Cc1nc(NC(=O)NN2CCCC2)cs1
Clc1cccc(Cl)c1Cc1nc(NC(=O)NOc2ccccc2)cs1
O=C(NOc1ccccc1)Nc1csc(n1)-c1ccccc1
Clc1cccc(Cl)c1Cc1nc(NC(=O)NN(Cc2ccccc2)Cc2ccccc2)cs1
O=C(NN1CCOCC1)Nc1csc(n1)-c1cccs1
O=C(NN1CCOCC1)Nc1csc(CS(=O)(=O)c2ccccn2)n1
COC[C@H]1CCCN1NC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1
NNC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1
O=C(NOc1ccccc1)Nc1csc(Cc2ccccc2)n1
Cc1cccc(c1)-c1nc(NC(=O)NOc2ccccc2)cs1
CS(=O)(=O)Cc1nc(NC(=O)NOc2ccccc2)cs1
CONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1
O=C(NN1CCOCC1)Nc1csc(n1)-c1ccccc1
CCONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1
COc1ccc(OCc2nc(NC(=O)NN3CCOCC3)cs2)cc1
Clc1ccc(cc1)-c1nc(NC(=O)NN2CCOCC2)cs1
O=C(NN1CCOCC1)Nc1csc(COc2ccccc2)n1
O=C(NN1CCOCC1)Nc1csc(CSc2ccccc2)n1
CCc1nc(NC(=O)NN2CCOCC2)cs1
O=C(NN1CCOCC1)Nc1csc(Cc2ccccc2)n1
Clc1ccccc1-c1nc(NC(=O)NN2CCOCC2)cs1
Cc1ccc(cc1)-c1nc(NC(=O)NN2CCOCC2)cs1
Clc1cccc(Cl)c1Cc1nc(NC(=O)NN2CCCCC2)cs1
Cc1cccc(c1)-c1nc(NC(=O)NN2CCOCC2)cs1
OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)cc1O
COc1ccc(\C=C\c2ccc3ccc(C(O)=O)c(O)c3n2)cc1O
COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-]
COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1
COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1
COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1
COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
Cc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4ccnn34)c2c1
O=C1NC(=O)c2c1c1ccnn1c1[nH]c3ccccc3c21
Oc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4ccnn34)c2c1
COc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4ccnn34)c2c1
Cc1ccc2[nH]c3c4c[nH]nc4c4C(=O)NC(=O)c4c3c2c1
O=C1NC(=O)c2c1c1n[nH]cc1c1[nH]c3ccccc3c21
COc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccn21
Cc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N
N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1
Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N
C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1
COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1
COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r|
COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Oc1cnc2oc3c(cc(O)c4ccccc34)c2c1-c1ccccc1
Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Oc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c23)c2ccccc12
COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Cc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O
Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1
COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
O=C(NC1CCCCC1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1cccc(n1)N1CCCCC1)Nc1cccc2C(=O)N3CCCCC3c12
Cc1nc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)cs1
Oc1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc1
O=C(Nc1cscn1)Nc1cccc2C(=O)N3CCCCC3c12
Oc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1ccn[nH]1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1cc(on1)-c1ccccc1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1csc(n1)-c1ccncc1)Nc1cccc2C(=O)N3CCCCC3c12
Cc1cc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)no1
O=C(Nc1cnccn1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1ccncn1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1ccc(cn1)-c1ccccc1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1ncccn1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1ccccc1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1cc2ccccc2cn1)Nc1cccc2C(=O)N3CCCCC3c12
Cn1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
O=C(Nc1nc2ccccc2s1)Nc1cccc2C(=O)N3CCCCC3c12
Oc1cccc2ccc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)nc12
Fc1cnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c(F)c1
Fc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
COc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
Clc1nc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c(Cl)c(Cl)c1Cl
Brc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Oc1cc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc2ccccc12
Brc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Brc1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc1
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
CN1C(=O)c2c(C1=O)c1ccccc1c1[nH]c3ccccc3c21
OCC(CO)N1C(=O)c2c(C1=O)c1ccccc1c1[nH]c3ccccc3c21
O=C1OC(=O)c2c1c1c3ccccc3[nH]c1c1ccccc21
Oc1ccc2[nH]c3c(c4C(=O)N(CCc5cnc[nH]5)C(=O)c4c4ccccc34)c2c1
OCC(CO)N1C(=O)c2c(C1=O)c1ccccc1c1[nH]c3ccc(O)cc3c21
CN1C(=O)c2c(C1=O)c1ccccc1c1[nH]c3ccc(O)cc3c21
CN(C)CCN1C(=O)c2c(C1=O)c1ccccc1c1[nH]c3ccccc3c21
Oc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4ccccc34)c2c1
O=C1N(CCc2cnc[nH]2)C(=O)c2c1c1c3ccccc3[nH]c1c1ccccc21
CN(C)CCN1C(=O)c2c(C1=O)c1ccccc1c1[nH]c3ccc(O)cc3c21
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccccc21
Oc1ccc2[nH]c3c(c4C(=O)OC(=O)c4c4ccccc34)c2c1
CC(C)n1cnc2ccc3nc(sc3c2c1=O)C1=NCCN1 |t:20|
CCCn1cnc2ccc3nc(sc3c2c1=O)C1=NCCN1 |t:20|
N#Cc1nc2ccc3N=CN(Cc4ccccc4)Cc3c2s1 |c:8|
CCCN1Cc2c(ccc3nc(sc23)C#N)N=C1 |c:18|
CC(C)CCN1Cc2c(ccc3nc(sc23)C#N)N=C1 |c:20|
CC(C)Cn1cnc2ccc3nc(sc3c2c1=O)C1=NCCN1 |t:21|
CC(C)N1Cc2c(ccc3nc(sc23)C#N)N=C1 |c:18|
CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
CCN1Cc2c(ccc3nc(sc23)C#N)N=C1 |c:17|
CC(C)CN1Cc2c(ccc3nc(sc23)C#N)N=C1 |c:19|
CCn1cnc2ccc3nc(sc3c2c1=O)C1=NCCN1 |t:19|
CC(C)CCn1cnc2ccc3nc(sc3c2c1=O)C1=NCCN1 |t:22|
O=c1n(Cc2ccccc2)cnc2ccc3nc(sc3c12)C1=NCCN1 |t:25|
CC(C)C(=O)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
COCCNc1nc(nc2n(cnc12)C(C)C)C(=O)NCC(C)C
CCCC(=O)Nc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
COCCNc1nc(nc2n(cnc12)C(C)C)C(=O)NC(C)C
COCCNc1nc(NC(=O)C(C)C)nc2n(cnc12)C(C)C
CC(C)CC(=O)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
COCCNc1nc(NC(=O)CC(C)C)nc2n(cnc12)C(C)C
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C(=O)NCC(C)C)cc1
COc1ccc(CNc2nc(NC(=O)C(C)C)nc3n(cnc23)C(C)C)cc1
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C(=O)NC(C)C)cc1
COc1ccc(CNc2nc(NC(=O)CC(C)=O)nc3n(cnc23)C(C)C)cc1
COc1ccc(cc1)C(=O)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
COc1ccc(CNc2nc(NC(=O)c3ccc(OC)cc3)nc3n(cnc23)C(C)C)cc1
CCCC(=O)Nc1nc(NCCOC)c2ncn(C(C)C)c2n1
CCCC(=O)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
CC(C)NC(=O)c1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
COc1ccc(CNc2nc(NC(=O)CC(C)C)nc3n(cnc23)C(C)C)cc1
CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccccc1
CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC(=O)NN=Cc1ccccc1 |w:25.26|
CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccccc2)cs1 |w:17.16|
CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(C)=O
ClCC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)CCl)n4)n3NC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
CC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(C)=O)cs1
CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)n[nH]c1=S
COC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1
O=C(CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1)NN=Cc1ccccc1 |w:34.37|
CC(=O)Nc1nc(Cc2n[nH]c(=S)n2N)cs1
CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCC(=O)NN=Cc1ccccc1 |w:26.27|
CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(=O)c2ccc(Cl)cc2)cs1
CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC(=O)NNC(=O)c1ccccc1
CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCC(=O)NNC(=O)c1ccccc1
CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
OC(=O)CCNc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccccc2)cs1
CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(C)=O)cs1
CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)CCl)n2NC(C)=O)cs1
ClCC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
COC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(C)=O
CC(=O)Nc1nc(Cc2nnc(SCc3n[nH]c(=S)n3N)n2NC(=O)c2ccccc2)cs1
CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC#N
CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC#N
NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1
NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1
OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Nn1c(CSc2nnc(Cc3csc(NC(=O)c4ccccc4)n3)n2NC(=O)c2ccccc2)n[nH]c1=S
Nn1c(CSc2nnc(Cc3csc(NC(=O)CCl)n3)n2NC(=O)c2ccc(Cl)cc2)n[nH]c1=S
CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(=O)c1ccccc1
CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
OC(=O)CCNc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccc(Cl)cc2)cs1
CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)n[nH]c1=S
NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccccc1
CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1 |w:17.16|
COC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(=O)c1ccccc1
CC(=O)NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccccc1
CC(=O)Nc1nc(Cc2nnc(SCc3n[nH]c(=S)n3N)n2NC(=O)c2ccc(Cl)cc2)cs1
COC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccc(Cl)cc1
ClCC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccccc1
CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)n[nH]c1=S
ClCC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
ClCC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccc(Cl)cc2)cs1
CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NN=Cc1ccccc1 |w:29.31|
COC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(C)=O
NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccccc1
Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)n[nH]c1=S
ClCC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
ClCC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccccc2)cs1 |w:18.17|
CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)CCl)n2NC(=O)c2ccc(Cl)cc2)cs1
ClCC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1
CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCc1n[nH]c(=S)n1N
CC(=O)Nc1nc(Cc2n[nH]c(=S)n2NC(C)=O)cs1
CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCC(=O)NNC(=O)CCl
CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NNC(=O)CCl
CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(C)=O
CC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccccc2)cs1
OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
O=C(CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1)NNC(=O)c1ccccc1
CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1
Nn1c(CSc2nnc(Cc3csc(NCCC(O)=O)n3)n2NC(=O)c2ccccc2)n[nH]c1=S
CC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(C)=O)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)n[nH]c1=S
O=C(Nc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccccc2)cs1)c1ccccc1
CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NN
CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NNC(=O)c1ccccc1
OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccccc2)cs1 |w:19.18|
CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(C)=O
CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(C)=O
CC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccc(Cl)cc2)cs1
ClCC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)CCl)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1
CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
CC(=O)Nc1nc(Cc2nnc(SCc3n[nH]c(=S)n3N)n2NC(C)=O)cs1
ClCC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccccc2)cs1
Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC#N
OC(=O)CCNc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)CCC(O)=O)n4)n3NC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
OC(=O)CCNc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NCCC(O)=O)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1
ClCC(=O)Nc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccc(Cl)cc2)cs1
Nn1c(CSc2nnc(Cc3csc(NC(=O)c4ccccc4)n3)n2NC(=O)c2ccc(Cl)cc2)n[nH]c1=S
CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(C)=O)cs1 |w:17.16|
ClCC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1 |w:18.17|
CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(C)=O)cs1
Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
ClCC(=O)Nc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccccc2)cs1
COC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC(=O)NNC(=O)CCl
CC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(C)=O)n4)n3NC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC(=O)NN
CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(C)=O
OC(=O)CCNc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccccc2)cs1
CC(=O)Nc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccccc2)cs1
COC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(C)=O
OC(=O)CCNc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccc(Cl)cc2)cs1
NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccc(Cl)cc1
CC(=O)NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(C)=O
COC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(C)=O
Nn1c(Cc2csc(NC(=O)CCl)n2)n[nH]c1=S
CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(C)=O
ClCC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1
CC(=O)NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccc(Cl)cc1
CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCc1n[nH]c(=S)n1N
Nn1c(CSc2nnc(Cc3csc(NCCC(O)=O)n3)n2NC(=O)c2ccc(Cl)cc2)n[nH]c1=S
OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1 |w:19.18|
O=C(Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccccc2)cs1)c1ccccc1
COC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccccc1
CC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(C)=O)n4)n3NC(C)=O)n2NC(C)=O)cs1
Nn1c(Cc2csc(NCCC(O)=O)n2)n[nH]c1=S
CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)CCl)n2NC(=O)c2ccccc2)cs1
CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1
OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NNC(=O)CCl)n2NC(=O)c2ccc(Cl)cc2)cs1
CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(=O)c1ccc(Cl)cc1
O=C(Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)c5ccccc5)n4)n3NC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1)c1ccccc1
CC(=O)Nc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccc(Cl)cc2)cs1
CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(=O)c2ccccc2)cs1
Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NNC(=O)c1ccccc1
CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCC#N
CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCC(=O)NN
Nn1c(CSc2nnc(Cc3csc(NC(=O)CCl)n3)n2NC(=O)c2ccccc2)n[nH]c1=S
OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NNC(=O)CCl)n2NC(=O)c2ccccc2)cs1
CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCc1n[nH]c(=S)n1N
Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NN=Cc1ccccc1 |w:35.38|
COC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(=O)c1ccc(Cl)cc1
COC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1
COC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccccc1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
C(Cc1c[nH]c2ncccc12)Cn1nncc1-c1cc2cccnc2[nH]1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1
Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
COC(=O)c1cccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1cccc(CN2CCCC2)n1)Nc1cccc2C(=O)N3CCCCC3c12
OCc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
O=C(Nc1cccc(CN2CCCCC2)n1)Nc1cccc2C(=O)N3CCCCC3c12
Cc1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc1
Cc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1cc(CN2CCCCC2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
O=Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
OCc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
COC(=O)c1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
O=C(Nc1cccc(CN2CCOCC2)n1)Nc1cccc2C(=O)N3CCCCC3c12
COCc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Cc1cnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)cn1
CCN(CC)Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Cc1cncc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Cc1nccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
COc1cc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc2ccccc12
O=C(Nc1ccc2ccccc2n1)Nc1cccc2C(=O)N3CCCCC3c12
FCc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
COCc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
CN1CCN(Cc2ccnc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)c2)CC1
O=C(Nc1cc(CN2CCOCC2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
Nc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
c1cncc2c1c(c3c(c2)cnc(n3)N)N
c1cncc2c1cc3c(c2)cnc(n3)N
C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C
COc1ccnc2n(C)cc(-c3ccnc(N)n3)c12
COc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
Nc1nccc(n1)-c1c[nH]c2ncccc12
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
COc1cc(F)ccc1-c1ccnc(NC(=O)[C@@H]2CC[C@@H](C2)NC(C)=O)c1 |r|
Nc1nccc(n1)-c1c[nH]c2nccc(O)c12
CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl
COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1
N#C\C(=C/c1ccccn1)c1c[nH]c2ccccc12
COc1cccc2c(c[nH]c12)C(=C\c1cccnc1)\C#N
COc1ccc2[nH]cc(\C(C#N)=C(/N)c3cccnc3)c2c1
N#Cc1cc2ccccc2c2[nH]c3ccccc3c12
N#Cc1cc2cnccc2c2[nH]c3ncccc3c12
COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C(N)=O
COc1ccc2c(c[nH]c2n1)-c1ccncc1
COc1ccc2[nH]cc3C(C#N)=C(NC(C)c1c23)c1cccnc1 |c:11|
N#C\C(=C\c1cccnc1)c1c[nH]c2ccccc12
N#Cc1cc2ccccn2c2nc3ccccc3c12
COc1ccc2c(c1)[nH]c1c2c(CN)cc2cnccc12
COc1ccc2cc([nH]c2n1)-c1ccncc1
COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C(N)=O
N#C\C(=C/c1cccnc1)c1c[nH]c2ccccc12
COc1ccc2[nH]c3c(c(C#N)c([nH]c3=O)-c3cccnc3)c2c1
N#C\C(=C/c1ccncc1)c1c[nH]c2ccccc12
COc1cccc2[nH]cc(\C(=C\c3cccnc3)C#N)c12
COc1ccc2c(c[nH]c2c1)C(=C\c1cccnc1)\C#N
Clc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1
COc1ccc2[nH]cc(\C(=C\c3cncc(OC)c3)C#N)c2c1
COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N
N#Cc1cc2ccncc2c2[nH]c3ccccc3c12
COc1cccc2[nH]c3c(c(cc4cnccc34)C#N)c12
COc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1
COc1cccc2c1[nH]c1c2c(cc2cnccc12)C#N
COc1ccc2[nH]c3c(c(cc4cncc(OC)c34)C#N)c2c1
COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C#N
COc1ccc2c(c1)[nH]c1c2c(CN(C)C)cc2cnccc12
COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1
COc1ccc2[nH]cc(\C(=C\c3cnccc3C)C#N)c2c1
N#Cc1cc2ncccc2c2[nH]c3ccccc3c12
Fc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1
N#C\C(=C/c1ccccc1)c1c[nH]c2ccccc12
COc1ccc2c(n1)[nH]c1c2c(cc2cnccc12)C#N
Fc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1
COc1ccc2[nH]cc(\C(=C\c3cccnc3)C#N)c2c1
N#C\C(=C/c1cccnc1)c1c[nH]c2ncccc12
N#Cc1cc2cnccc2c2[nH]c3ccccc3c12
Nc1nc2ccccc2c2cc3cnccc3cc12
COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C#N
Clc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1
COc1cccc2c1[nH]c1c2c(cc2cnccc12)C(N)=O
COc1ccc2c(CC#N)c([nH]c2n1)-c1ccncc1
N#Cc1cc2cccnc2c2[nH]c3ccccc3c12
COc1ccc2c(c1)[nH]c1c2c(CNC(C)=O)cc2cnccc12
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCNCc1ccccc1 |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCNCc1ccc2OCOc2c1 |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCNCc1ccc2CCOc2c1 |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCNCc1ccc2OCCOc2c1 |w:5.5,c:17|
COc1ccc(CNCCNC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2C)cc1 |w:14.14,t:11|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCNCc1ccc(cc1)[N+]([O-])=O |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCNCc1ccc(Cl)cc1 |w:5.5,c:17|
COc1cc(CNCCNC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2C)cc(OC)c1OC |w:13.13,t:10|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN=Cc1ccccc1 |w:5.5,20.22,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN=Cc1ccc2OCOc2c1 |w:20.22,5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN=Cc1ccc2CCOc2c1 |w:20.22,5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN=Cc1ccc2OCCOc2c1 |w:20.22,5.5,c:17|
COc1ccc(C=NCCNC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2C)cc1 |w:7.7,14.14,t:11|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN=Cc1ccc(cc1)[N+]([O-])=O |w:20.22,5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN=Cc1ccc(Cl)cc1 |w:20.22,5.5,c:17|
COc1cc(C=NCCNC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2C)cc(OC)c1OC |w:6.6,13.13,t:10|
CN1C(N)=NC(=Cc2ccc3OCOc3c2)C1=O |w:6.6,c:3|
CCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
CCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
COc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
CCC(CO)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
CC(C)n1cnc2c(NCc3ccccc3)cc(OCCO)cc12
CCC(O)COc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
COCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
CCC(CN(C)C)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
CC(C)n1cnc2c(NCc3ccccc3)cc(OCC3CCNCC3)cc12
CC(C)n1cnc2c(NCc3ccccc3)cc(OCC3CCN(C)CC3)cc12
CCCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
COc1ccc(cc1)C(=O)c1sc(Nc2ccncc2)nc1N
Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccn1
Nc1nc(Nc2cccnc2)sc1C(=O)c1cccnc1
Nc1nc(Nc2cccnc2)sc1C(=O)c1ccncc1
CNc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F
Nc1nc(Nc2ccc(nc2)C(F)(F)F)sc1C(=O)c1ccccc1F
c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)Cl)N
Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(F)c1
COc1cccc(c1)C(=O)c1sc(Nc2ccc(Cl)cc2)nc1N
Nc1nc(NC2CCCNC2)sc1C(=O)c1cccc(F)c1
Nc1nc(NC2CCNCC2)sc1C(=O)c1cccc(F)c1
Nc1nc(Nc2cccc(N)c2)sc1C(=O)c1cccc(F)c1
CNc1cccc(Nc2nc(N)c(s2)C(=O)c2cccc(F)c2)c1
CN(C)c1ccc(Nc2nc(N)c(s2)C(=O)c2cccc(F)c2)cc1
Nc1nc(Nc2ccccn2)sc1C(=O)c1cccc(F)c1
Nc1nc(Nc2ccccn2)sc1C(=O)c1ccccc1F
Nc1nc(Nc2ccccn2)sc1C(=O)c1ccc(F)cc1
COc1ccccc1C(=O)c1sc(Nc2ccccn2)nc1N
COc1cccc(c1)C(=O)c1sc(Nc2ccccn2)nc1N
COc1ccc(cc1)C(=O)c1sc(Nc2ccccn2)nc1N
Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F
Nc1nc(Nc2cccnc2)sc1C(=O)c1cccc(F)c1
Nc1nc(Nc2cccnc2)sc1C(=O)c1ccc(F)cc1
Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1
Nc1nc(Nc2cccnc2)sc1C(=O)c1cccc(c1)[N+]([O-])=O
COc1ccccc1C(=O)c1sc(Nc2cccnc2)nc1N
COc1cccc(c1)C(=O)c1sc(Nc2cccnc2)nc1N
COc1ccc(cc1)C(=O)c1sc(Nc2cccnc2)nc1N
Nc1nc(Nc2ccncc2)sc1C(=O)c1ccccc1F
Nc1nc(Nc2ccncc2)sc1C(=O)c1cccc(F)c1
Nc1nc(Nc2ccncc2)sc1C(=O)c1ccc(F)cc1
COc1ccccc1C(=O)c1sc(Nc2ccncc2)nc1N
COc1cccc(c1)C(=O)c1sc(Nc2ccncc2)nc1N
c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1 |r|
O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1
O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1
[O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
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(CCON=C2C(Nc3ccccc23)=C2C(=O)Nc3cc(Br)ccc23)CC1
c1ccc2c(c1)/C(=C/3\C(=O)c4ccccc4N3)/C(=O)N2
COc1cc2ncnc(Nc3cc(-c4ccccc4)n(n3)-c3ccccc3)c2cc1OC
COc1cc2ncnc(Nc3cc([nH]n3)-c3ccc(Cl)cc3)c2cc1OC
COc1cc2ncnc(Nc3cc([nH]n3)-c3ccc(F)cc3)c2cc1OC
COc1cc2ncnc(Nc3cc([nH]n3)-c3ccccc3)c2cc1OC
COc1cc2ncnc(Nc3cc(O)[nH]n3)c2cc1OC
COc1ccc(cc1)-c1cc(Nc2ncnc3cc(OC)c(OC)cc23)n[nH]1
COc1cc2ncnc(Nc3n[nH]cc3C#N)c2cc1OC
COc1ccc2ncc(-c3ccnc(SC)n3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)S(C)(=O)=O)n2n1 |r|
COc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
COc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cc4ccccc4[nH]3)n2n1 |r|
CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@H](CC)CO)nn12 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(SC)n3)n2n1 |r|
CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
OCCN1CCN(CC1)c1ccc2ncc(-c3cccc(Cl)c3)n2n1
CSc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1 |r|
CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1 |r|
COc1ccc2ncc(-c3ccnc(N)n3)n2n1
FC(F)(F)c1cccc(\C=C\c2cnc3ccc(Cl)nn23)c1
Fc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
COc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Clc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
COc1ccc2ncc(-c3ccc(cc3)C(F)(F)F)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(O)=O)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(n3)S(C)(=O)=O)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1 |r|
Clc1cccc(c1)-c1cnc2ccc(Cl)nn12
Clc1cccc(c1)-c1cnc2ccc(nn12)N1CCC(CC1)N1CCCCC1
COc1ccc2ncc(-c3ccnc(n3)[S+](C)[O-])n2n1
CCOC(=O)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r|
Clc1ccc2ncc(-c3cccc(C=O)c3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\[C@@H](CC)CO)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(N)n3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(SC)c3)n2n1 |r|
CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(Cl)nn12 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
CC[C@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\[C@H](CC)CO)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1 |r|
CCOC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cc(Cl)ccc3N)n2n1 |r|
Clc1ccc2ncc(-c3cccnc3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(N)c3)n2n1 |r|
O\N=C\c1cccc(c1)-c1cnc2ccc(Cl)nn12
CCOC(=O)Nc1ccc2ncc(-c3cccnc3)n2n1
CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
FC(F)(F)c1cccc(c1)-c1cnc2ccc(Cl)nn12
COc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@H](CC)CO)nn12 |r|
CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(Cl)nn12 |r|
Nc1ccc(Cl)cc1-c1cnc2ccc(Cl)nn12
CC[C@@H](CO)N(C(C)=O)c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
CSc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Nc1cccc(c1)-c1cnc2ccc(Cl)nn12
CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1 |r|
FC(F)(F)c1ccc(cc1)-c1cnc2ccc(Cl)nn12
CC[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C(F)(F)F)n2n1 |r|
Fc1ccc2ncc(-c3cccc(C=O)c3)n2n1
CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)c1
CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(n3)[S+](C)[O-])n2n1 |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(Nc3ccncc3)ncnc12 |r,wU:12.15,10.10,(34.42,-23.86,;33.3,-24.92,;31.82,-24.49,;30.71,-25.56,;31.08,-27.06,;32.56,-27.48,;33.67,-26.42,;32.92,-28.98,;34.42,-29.33,;31.87,-30.11,;30.37,-29.75,;29.06,-30.56,;28.25,-29.25,;29.56,-28.44,;26.75,-28.9,;26.15,-27.48,;24.62,-27.61,;24.26,-29.1,;22.92,-29.85,;21.6,-29.05,;20.25,-29.79,;18.94,-28.99,;17.59,-29.73,;17.55,-31.27,;18.87,-32.07,;20.22,-31.33,;22.88,-31.39,;24.2,-32.18,;25.55,-31.45,;25.58,-29.91,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r,wU:12.15,10.10,(36.41,-23.55,;35.32,-24.63,;33.83,-24.23,;32.74,-25.33,;33.14,-26.81,;34.63,-27.21,;35.72,-26.12,;35.02,-28.69,;36.54,-29.01,;33.99,-29.84,;32.49,-29.52,;31.2,-30.36,;30.36,-29.07,;31.65,-28.23,;28.86,-28.74,;28.23,-27.34,;26.7,-27.5,;26.37,-29.01,;25.04,-29.78,;23.71,-29.01,;22.38,-29.78,;21.04,-29.01,;21.04,-27.47,;19.7,-26.7,;18.37,-27.47,;18.37,-29.01,;17.04,-29.78,;19.7,-29.78,;25.04,-31.32,;26.37,-32.09,;27.71,-31.32,;27.71,-29.78,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r,wU:12.15,10.10,(31.27,-11.82,;30.17,-12.91,;28.69,-12.51,;27.6,-13.6,;28,-15.09,;29.49,-15.48,;30.57,-14.39,;29.89,-16.97,;31.39,-17.29,;28.85,-18.12,;27.35,-17.8,;26.06,-18.63,;25.22,-17.34,;26.51,-16.51,;23.71,-17.02,;23.08,-15.61,;21.55,-15.77,;21.23,-17.28,;19.9,-18.05,;18.57,-17.28,;17.23,-18.05,;15.9,-17.28,;15.9,-15.74,;14.57,-14.97,;13.24,-15.74,;13.24,-17.28,;11.9,-18.05,;14.57,-18.05,;19.9,-19.59,;21.23,-20.36,;22.56,-19.59,;22.56,-18.05,)|
COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2C[C@@H](C2)NC(=O)c2cccc(C)n2)cc1OC |r,wU:16.17,18.22,(11.31,-24.61,;12.65,-25.37,;13.98,-24.58,;13.97,-23.04,;15.29,-22.27,;16.63,-23.02,;17.96,-22.24,;19.3,-22.99,;19.32,-24.53,;20.66,-25.29,;21.98,-24.5,;21.96,-22.96,;23.1,-21.92,;22.46,-20.52,;20.93,-20.7,;20.62,-22.21,;24.61,-22.23,;25.46,-23.51,;26.74,-22.66,;25.9,-21.38,;28.25,-22.96,;29.28,-21.81,;30.79,-22.12,;28.86,-20.33,;27.37,-19.94,;26.95,-18.46,;28.03,-17.36,;29.52,-17.75,;30.61,-16.65,;29.94,-19.23,;16.65,-24.56,;15.33,-25.34,;15.34,-26.89,;14.02,-27.66,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C1)NC(=O)c1cccc(C)n1 |r,wU:4.3,7.10,20.22,22.27,(16.83,-30.61,;16.84,-32.15,;15.51,-32.93,;18.17,-32.92,;19.5,-32.14,;19.5,-30.6,;20.83,-29.83,;22.16,-30.59,;22.17,-32.13,;20.84,-32.91,;23.5,-29.82,;24.83,-30.58,;24.84,-32.12,;26.18,-32.88,;27.5,-32.11,;27.5,-30.57,;28.64,-29.53,;28.01,-28.13,;26.48,-28.3,;26.16,-29.8,;30.14,-29.85,;30.99,-31.14,;32.28,-30.29,;31.43,-29,;33.79,-30.6,;34.81,-29.46,;36.32,-29.77,;34.4,-27.97,;32.91,-27.58,;32.52,-26.09,;33.6,-25,;35.09,-25.39,;36.17,-24.3,;35.49,-26.87,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NC3CCN(C3)C(=O)OC(C)(C)C)ncnc12 |r,wU:10.10,12.15,(31.06,-13.58,;29.98,-14.67,;28.49,-14.27,;27.4,-15.36,;27.8,-16.85,;29.28,-17.25,;30.37,-16.15,;29.68,-18.73,;31.19,-19.05,;28.65,-19.88,;27.14,-19.55,;25.85,-20.4,;25.02,-19.1,;26.31,-18.26,;23.51,-18.79,;22.88,-17.38,;21.35,-17.53,;21.03,-19.04,;19.7,-19.81,;18.36,-19.04,;17.03,-19.81,;16.87,-21.34,;15.36,-21.67,;14.6,-20.33,;15.63,-19.18,;13.07,-20.17,;12.44,-18.77,;12.16,-21.42,;10.63,-21.25,;9.73,-22.49,;10.01,-19.85,;9.1,-21.24,;19.7,-21.35,;21.03,-22.12,;22.37,-21.35,;22.37,-19.81,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12 |r,wU:10.10,12.15,(35.5,-22.63,;34.42,-23.72,;32.93,-23.33,;31.84,-24.42,;32.24,-25.9,;33.73,-26.3,;34.82,-25.21,;34.13,-27.79,;35.63,-28.1,;33.1,-28.93,;31.59,-28.61,;30.31,-29.46,;29.46,-28.16,;30.75,-27.33,;27.95,-27.85,;27.33,-26.44,;25.8,-26.6,;25.48,-28.11,;24.15,-28.88,;22.81,-28.11,;21.47,-28.89,;20.14,-28.12,;18.81,-28.89,;18.81,-30.43,;20.14,-31.2,;21.48,-30.43,;17.48,-31.2,;16.15,-30.44,;17.48,-32.74,;16.15,-33.52,;16.16,-35.05,;14.82,-32.76,;14.81,-34.27,;24.15,-30.42,;25.48,-31.19,;26.82,-30.42,;26.81,-28.88,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCC3CCNCC3)ncnc12 |r,wU:12.15,10.10,(35.5,-21.79,;34.42,-22.88,;32.93,-22.48,;31.84,-23.57,;32.24,-25.06,;33.72,-25.45,;34.81,-24.37,;34.13,-26.94,;35.63,-27.26,;33.1,-28.09,;31.59,-27.77,;30.29,-28.6,;29.46,-27.31,;30.75,-26.48,;27.95,-26.99,;27.32,-25.59,;25.79,-25.75,;25.47,-27.25,;24.14,-28.03,;22.81,-27.25,;21.47,-28.03,;20.14,-27.25,;20.14,-25.71,;18.81,-24.95,;17.48,-25.71,;17.48,-27.25,;18.81,-28.03,;24.14,-29.57,;25.47,-30.33,;26.81,-29.57,;26.81,-28.03,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NC3CCNC3)ncnc12 |r,wU:12.15,10.10,(32.35,-16.29,;31.27,-17.39,;29.78,-17.01,;28.71,-18.12,;29.13,-19.61,;30.62,-19.98,;31.69,-18.88,;31.04,-21.46,;32.55,-21.76,;30.02,-22.62,;28.51,-22.32,;27.24,-23.18,;26.37,-21.9,;27.66,-21.04,;24.86,-21.6,;24.22,-20.2,;22.69,-20.38,;22.39,-21.89,;21.07,-22.69,;19.73,-21.93,;18.41,-22.72,;18.27,-24.26,;16.77,-24.59,;15.97,-23.27,;16.99,-22.11,;21.09,-24.22,;22.44,-24.97,;23.76,-24.19,;23.74,-22.65,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r,wU:12.15,10.10,(26.01,-22.02,;24.92,-23.11,;23.43,-22.71,;22.35,-23.8,;22.75,-25.29,;24.23,-25.68,;25.32,-24.6,;24.63,-27.17,;26.14,-27.49,;23.6,-28.32,;22.09,-28,;20.8,-28.83,;19.97,-27.54,;21.26,-26.71,;18.46,-27.22,;17.83,-25.81,;16.3,-25.98,;15.98,-27.48,;14.65,-28.26,;13.31,-27.48,;11.98,-28.26,;10.65,-27.48,;10.65,-25.94,;9.31,-25.18,;7.98,-25.94,;7.98,-27.48,;6.64,-28.26,;9.31,-28.26,;14.65,-29.8,;15.98,-30.56,;17.31,-29.8,;17.31,-28.26,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3ccc(F)c(F)c3)ncnc12 |r,wU:12.15,10.10,(29.23,-17.32,;28.14,-18.41,;26.65,-18.01,;25.57,-19.1,;25.97,-20.59,;27.45,-20.98,;28.54,-19.89,;27.85,-22.47,;29.36,-22.79,;26.82,-23.62,;25.31,-23.3,;24.02,-24.13,;23.19,-22.84,;24.48,-22.01,;21.68,-22.52,;21.05,-21.11,;19.52,-21.28,;19.2,-22.78,;17.87,-23.56,;16.53,-22.78,;15.2,-23.56,;13.87,-22.78,;13.87,-21.24,;12.54,-20.48,;11.2,-21.24,;9.86,-20.48,;11.2,-22.78,;9.86,-23.56,;12.54,-23.56,;17.87,-25.09,;19.2,-25.86,;20.53,-25.09,;20.53,-23.56,)|
CC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C1)NC(=O)c1cccc(C)n1 |r,wU:7.10,20.22,22.27,wD:4.3,(16.83,-30.61,;16.84,-32.15,;15.51,-32.93,;18.17,-32.92,;19.5,-32.14,;20.84,-32.91,;22.17,-32.13,;22.16,-30.59,;20.83,-29.83,;19.5,-30.6,;23.5,-29.82,;24.83,-30.58,;24.84,-32.12,;26.18,-32.88,;27.5,-32.11,;27.5,-30.57,;28.64,-29.53,;28.01,-28.13,;26.48,-28.3,;26.16,-29.8,;30.14,-29.85,;30.99,-31.14,;32.28,-30.29,;31.43,-29,;33.79,-30.6,;34.81,-29.46,;36.32,-29.77,;34.4,-27.97,;32.91,-27.58,;32.52,-26.09,;33.6,-25,;35.09,-25.39,;36.17,-24.3,;35.49,-26.87,)|
O=C(N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccnc3)ncnc12)c1cccc(n1)-c1ccccc1 |r,wU:5.7,3.2,(29.63,-26.83,;28.12,-26.52,;27.09,-27.66,;25.59,-27.34,;24.29,-28.19,;23.45,-26.89,;24.74,-26.05,;21.95,-26.58,;21.32,-25.17,;19.78,-25.33,;19.46,-26.84,;18.13,-27.61,;16.8,-26.84,;15.47,-27.61,;14.13,-26.84,;12.8,-27.62,;11.47,-26.85,;11.47,-25.31,;12.8,-24.54,;14.13,-25.3,;18.13,-29.15,;19.47,-29.92,;20.81,-29.15,;20.81,-27.61,;27.72,-25.03,;26.23,-24.63,;25.83,-23.15,;26.92,-22.06,;28.41,-22.45,;28.8,-23.94,;29.49,-21.36,;29.09,-19.88,;30.18,-18.79,;31.67,-19.18,;32.06,-20.67,;30.98,-21.76,)|
CC(=O)N1CCC(CC1)Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C1)NC(=O)c1cccc(C)n1 |r,wU:19.21,21.26,(17.13,-19.64,;18.45,-20.43,;18.43,-21.97,;19.8,-19.68,;21.12,-20.47,;22.46,-19.73,;22.49,-18.19,;21.17,-17.39,;19.82,-18.14,;23.84,-17.44,;25.16,-18.23,;25.13,-19.77,;26.45,-20.56,;27.8,-19.82,;27.82,-18.28,;28.99,-17.27,;28.38,-15.85,;26.85,-15.98,;26.5,-17.48,;30.49,-17.61,;31.3,-18.92,;32.61,-18.1,;31.79,-16.79,;34.11,-18.45,;35.16,-17.32,;36.66,-17.66,;34.79,-15.83,;33.31,-15.4,;32.93,-13.91,;34.04,-12.84,;35.52,-13.26,;36.63,-12.19,;35.89,-14.75,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12 |r,wU:12.15,10.10,(33.46,-18.55,;32.37,-19.63,;30.88,-19.22,;29.79,-20.32,;30.18,-21.8,;31.67,-22.2,;32.76,-21.12,;32.06,-23.69,;33.56,-24.01,;31.02,-24.84,;29.51,-24.51,;28.22,-25.33,;27.39,-24.04,;28.69,-23.22,;25.88,-23.71,;25.26,-22.31,;23.73,-22.46,;23.4,-23.97,;22.07,-24.74,;20.74,-23.96,;19.41,-24.73,;18.07,-23.95,;18.08,-22.41,;16.75,-21.64,;15.41,-22.4,;15.41,-23.94,;16.73,-24.72,;14.08,-21.63,;14.09,-20.09,;12.74,-22.39,;11.41,-21.62,;10.08,-20.84,;11.42,-20.09,;10.08,-22.38,;22.06,-26.28,;23.39,-27.05,;24.73,-26.29,;24.74,-24.75,)|
CN1CCC(CC1)Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C1)NC(=O)c1cccc(C)n1 |r,wU:17.19,19.24,(14.11,-34.93,;15.44,-34.17,;15.44,-32.63,;16.77,-31.85,;18.1,-32.63,;18.1,-34.17,;16.77,-34.93,;19.44,-31.85,;20.78,-32.63,;20.78,-34.17,;22.11,-34.94,;23.44,-34.17,;23.44,-32.63,;24.59,-31.6,;23.96,-30.19,;22.43,-30.35,;22.11,-31.86,;26.09,-31.92,;26.93,-33.21,;28.22,-32.38,;27.38,-31.08,;29.73,-32.7,;30.76,-31.55,;32.26,-31.87,;30.36,-30.06,;28.87,-29.67,;28.48,-28.18,;29.57,-27.09,;31.05,-27.49,;32.14,-26.4,;31.45,-28.98,)|
COc1cccc(Nc2ncnc3n(cnc23)[C@@H]2C[C@@H](C2)NC(=O)c2cccc(C)n2)c1 |r,wU:17.18,19.23,(16.66,-26.35,;15.34,-25.58,;15.33,-24.04,;13.98,-23.27,;13.99,-21.72,;15.34,-20.96,;16.66,-21.74,;18.01,-20.97,;19.35,-21.76,;19.35,-23.3,;20.69,-24.07,;22.02,-23.3,;22.02,-21.75,;23.17,-20.71,;22.55,-19.33,;21.02,-19.48,;20.69,-20.98,;24.67,-20.96,;25.58,-22.22,;26.82,-21.33,;25.91,-20.07,;28.34,-21.57,;29.31,-20.39,;30.84,-20.63,;28.76,-18.95,;27.24,-18.7,;26.68,-17.26,;27.67,-16.05,;29.19,-16.31,;30.18,-15.11,;29.74,-17.76,;16.66,-23.28,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NC3CCNCC3)ncnc12 |r,wU:12.15,10.10,(29.95,-17.13,;28.87,-18.21,;27.38,-17.81,;26.3,-18.91,;26.7,-20.4,;28.18,-20.79,;29.27,-19.7,;28.58,-22.27,;30.08,-22.6,;27.55,-23.43,;26.04,-23.1,;24.75,-23.94,;23.91,-22.65,;25.2,-21.81,;22.41,-22.33,;21.78,-20.92,;20.25,-21.09,;19.93,-22.59,;18.6,-23.37,;17.27,-22.59,;15.93,-23.37,;14.59,-22.59,;13.26,-23.37,;13.26,-24.91,;14.6,-25.67,;15.93,-24.91,;18.6,-24.91,;19.93,-25.67,;21.26,-24.91,;21.26,-23.37,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccnc3)ncnc12 |r,wU:12.15,10.10,(29.63,-23.6,;28.54,-24.68,;27.05,-24.28,;25.97,-25.38,;26.36,-26.86,;27.85,-27.26,;28.94,-26.17,;28.25,-28.74,;29.75,-29.07,;27.22,-29.89,;25.71,-29.57,;24.42,-30.41,;23.58,-29.12,;24.87,-28.28,;22.07,-28.8,;21.45,-27.39,;19.92,-27.55,;19.6,-29.06,;18.27,-29.83,;16.93,-29.06,;15.59,-29.83,;14.26,-29.06,;12.93,-29.83,;11.6,-29.06,;11.6,-27.52,;12.93,-26.75,;14.26,-27.52,;18.27,-31.37,;19.6,-32.14,;20.93,-31.37,;20.93,-29.83,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3ccc(F)cc3)ncnc12 |r,wU:12.15,10.10,(29.02,-22.38,;27.93,-23.46,;26.44,-23.06,;25.35,-24.16,;25.75,-25.64,;27.24,-26.04,;28.33,-24.95,;27.64,-27.52,;29.15,-27.85,;26.61,-28.67,;25.1,-28.35,;23.81,-29.19,;22.97,-27.9,;24.26,-27.06,;21.47,-27.58,;20.84,-26.17,;19.31,-26.33,;18.99,-27.84,;17.65,-28.61,;16.32,-27.84,;14.99,-28.61,;13.66,-27.84,;12.32,-28.61,;10.99,-27.84,;10.99,-26.3,;9.65,-25.53,;12.32,-25.53,;13.66,-26.3,;17.65,-30.15,;18.99,-30.92,;20.32,-30.15,;20.32,-28.61,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(N[C@H]3CC[C@H](O)CC3)ncnc12 |r,wU:20.21,12.15,10.10,wD:23.25,(39.8,-22.66,;38.72,-23.75,;37.23,-23.36,;36.15,-24.46,;36.56,-25.95,;38.05,-26.34,;39.13,-25.24,;38.46,-27.82,;39.97,-28.13,;37.44,-28.97,;35.93,-28.66,;34.64,-29.5,;33.79,-28.22,;35.08,-27.38,;32.29,-27.91,;31.65,-26.51,;30.12,-26.68,;29.81,-28.19,;28.48,-28.97,;27.14,-28.2,;25.81,-28.99,;25.82,-30.53,;24.5,-31.3,;23.16,-30.54,;21.83,-31.32,;23.15,-29,;24.48,-28.22,;28.49,-30.51,;29.83,-31.27,;31.16,-30.49,;31.15,-28.95,)|
FC(F)(F)c1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccnc3)ncnc12 |r,wU:15.18,13.13,(34.82,-21.98,;33.34,-21.59,;32.94,-20.11,;34.42,-20.49,;32.26,-22.68,;30.77,-22.28,;29.68,-23.37,;30.08,-24.85,;31.57,-25.26,;32.66,-24.17,;31.96,-26.74,;33.47,-27.06,;30.93,-27.89,;29.43,-27.57,;28.14,-28.41,;27.29,-27.12,;28.59,-26.27,;25.79,-26.79,;25.17,-25.39,;23.64,-25.55,;23.31,-27.06,;21.98,-27.82,;20.65,-27.06,;19.32,-27.82,;17.98,-27.06,;16.64,-27.82,;15.31,-27.06,;15.31,-25.52,;16.64,-24.74,;17.98,-25.52,;21.98,-29.36,;23.31,-30.14,;24.65,-29.36,;24.65,-27.82,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCC3CCCCC3)ncnc12 |r,wU:12.15,10.10,(34.03,-20.69,;32.94,-21.78,;31.45,-21.38,;30.37,-22.47,;30.76,-23.96,;32.25,-24.35,;33.34,-23.27,;32.65,-25.84,;34.15,-26.16,;31.62,-26.99,;30.11,-26.67,;28.82,-27.5,;27.98,-26.21,;29.27,-25.38,;26.47,-25.89,;25.85,-24.49,;24.32,-24.65,;24,-26.15,;22.67,-26.93,;21.33,-26.15,;20,-26.93,;18.66,-26.15,;17.33,-26.93,;16,-26.15,;16,-24.61,;17.33,-23.85,;18.66,-24.61,;22.67,-28.47,;24,-29.23,;25.33,-28.47,;25.33,-26.93,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3ccc(Cl)c(Cl)c3)ncnc12 |r,wU:12.15,10.10,(32.81,-21.74,;31.71,-22.82,;30.22,-22.42,;29.14,-23.52,;29.54,-25,;31.02,-25.4,;32.11,-24.31,;31.42,-26.88,;32.93,-27.21,;30.39,-28.04,;28.88,-27.71,;27.59,-28.55,;26.76,-27.26,;28.05,-26.42,;25.25,-26.94,;24.62,-25.53,;23.09,-25.69,;22.77,-27.2,;21.44,-27.97,;20.1,-27.2,;18.77,-27.97,;17.44,-27.2,;17.44,-25.66,;16.1,-24.89,;14.77,-25.66,;13.43,-24.89,;14.77,-27.2,;13.43,-27.97,;16.1,-27.97,;21.44,-29.51,;22.77,-30.28,;24.1,-29.51,;24.1,-27.97,)|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
OS(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
Clc1[nH]c2ccccc2c1\C=C1\C(=O)Nc2ccccc12
c1ccc2c(c1)nc(s2)c3cc(sc3)S(=O)(=O)N
NS(=O)(=O)c1cc(cs1)-c1nc2ccc(F)cc2s1
NS(=O)(=O)c1cc(cs1)-c1nc2ccc(Cl)cc2s1
Cc1ccc2nc(sc2c1)-c1csc(c1)S(N)(=O)=O
NS(=O)(=O)c1cc(cs1)-c1nc2ccc(cc2s1)[N+]([O-])=O
CC(=O)c1ccc2nc(sc2c1)-c1csc(c1)S(N)(=O)=O
FCCNS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1
O=S(=O)(Nc1nccs1)c1cc(cs1)-c1nc2ccccc2s1
Cc1nc(NS(=O)(=O)c2cc(cs2)-c2nc3ccccc3s2)sc1C
CCOC(=O)Cc1csc(NS(=O)(=O)c2cc(cs2)-c2nc3ccccc3s2)n1
O=S(=O)(NCc1ccccn1)c1cc(cs1)-c1nc2ccccc2s1
Cc1ccnc(NS(=O)(=O)c2cc(cs2)-c2nc3ccccc3s2)c1
Oc1cccnc1NS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1
O=S(=O)(Nc1ccc(nc1)N1CCOCC1)c1cc(cs1)-c1nc2ccccc2s1
OC[C@H]1CCCN1S(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1 |r|
NS(=O)(=O)c1cc(cs1)-c1nc2ccc(F)c(Cl)c2s1
NS(=O)(=O)c1cc(cs1)-c1nc2cccc(-c3ccc(F)cc3)c2s1
ONS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1
Cc1n[nH]c(=O)c2[nH]c3ccc(F)cc3c12
Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)[N+]([O-])=O)c3ccc(Br)cc3c12
Cc1n[nH]c(=O)c2n(Cc3cccc(c3)[N+]([O-])=O)c3ccc(Br)cc3c12
Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)C#N)c3ccc(Br)cc3c12
Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(Br)cc3c12
COc1ccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)cc1
COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1
Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)[N+]([O-])=O)c3ccc(F)cc3c12
Cc1n[nH]c(=O)c2n(Cc3cccc(c3)[N+]([O-])=O)c3ccc(F)cc3c12
Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)C#N)c3ccc(F)cc3c12
Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(F)cc3c12
COc1ccc(Cn2c3ccc(F)cc3c3c(C)n[nH]c(=O)c23)cc1
COc1cccc(Cn2c3ccc(F)cc3c3c(C)n[nH]c(=O)c23)c1
COc1ccc2n(Cc3ccc(cc3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1
COc1ccc2n(Cc3cccc(c3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1
COc1ccc2n(Cc3ccc(cc3)C#N)c3c(c(C)n[nH]c3=O)c2c1
COc1ccc2n(Cc3cccc(c3)C#N)c3c(c(C)n[nH]c3=O)c2c1
COc1ccc(Cn2c3ccc(OC)cc3c3c(C)n[nH]c(=O)c23)cc1
COc1cccc(Cn2c3ccc(OC)cc3c3c(C)n[nH]c(=O)c23)c1
COc1ccc2[nH]c3c(c(C)n[nH]c3=O)c2c1
NC(=O)c1c(O)cc(O)c2c3nc[nH]c(=O)c3oc12
CC(=O)C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O |r,t:6|
NC(=O)c1c(O)cc(O)c2c1oc1c2[nH]c(=O)[nH]c1=O
NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21
Nc1ncnc2c3cccnc3sc12
Oc1ccc(Nc2ncnc3c2sc2ncccc32)cc1[N+]([O-])=O
Nc1ncnc2c3ncccc3sc12
N(c1ccccc1)c1ncnc2c3ncccc3sc12
COc1ccc(Nc2ncnc3c2sc2cccnc32)cc1
COc1ccc(Nc2ncnc3c2sc2cccnc32)cc1OC
COc1cc(Nc2ncnc3c2sc2cccnc32)cc(OC)c1
COc1cc(Nc2ncnc3c2sc2cccnc32)cc(OC)c1OC
C1Oc2ccc(Nc3ncnc4c3sc3cccnc43)cc2O1
C1COc2cc(Nc3ncnc4c3sc3cccnc43)ccc2O1
Fc1cc(Br)ccc1Nc1ncnc2c1sc1cccnc21
Oc1ccc(Nc2ncnc3c2sc2cccnc32)cc1[N+]([O-])=O
Nc1ncnc2c3nccnc3sc12
N(c1ccccc1)c1ncnc2c3nccnc3sc12
COc1ccc(Nc2ncnc3c2sc2nccnc32)cc1
COc1ccc(Nc2ncnc3c2sc2nccnc32)cc1OC
COc1cc(Nc2ncnc3c2sc2nccnc32)cc(OC)c1
COc1cc(Nc2ncnc3c2sc2nccnc32)cc(OC)c1OC
C1Oc2ccc(Nc3ncnc4c3sc3nccnc43)cc2O1
C1COc2cc(Nc3ncnc4c3sc3nccnc43)ccc2O1
Fc1cc(Br)ccc1Nc1ncnc2c1sc1nccnc21
Oc1ccc(Nc2ncnc3c2sc2nccnc32)cc1[N+]([O-])=O
N(c1ccccc1)c1ncnc2c3cccnc3sc12
COc1ccc(Nc2ncnc3c4cccnc4sc23)cc1
COc1ccc(Nc2ncnc3c4cccnc4sc23)cc1OC
COc1cc(Nc2ncnc3c4cccnc4sc23)cc(OC)c1
COc1cc(Nc2ncnc3c4cccnc4sc23)cc(OC)c1OC
C1Oc2ccc(Nc3ncnc4c5cccnc5sc34)cc2O1
C1COc2cc(Nc3ncnc4c5cccnc5sc34)ccc2O1
Fc1cc(Br)ccc1Nc1ncnc2c3cccnc3sc12
COc1cc(Nc2ncnc3c4ccccc4sc23)cc(OC)c1OC
COc1cc(Nc2ncnc3c4ccccc4sc23)cc(OC)c1
COc1ccc(Nc2ncnc3c4ccccc4sc23)cc1OC
COc1ccc(Nc2ncnc3c4ccccc4sc23)cc1
N(c1ccccc1)c1ncnc2c3ccccc3sc12
Nc1ncnc2c3ccccc3sc12
C1Oc2ccc(Nc3ncnc4c5ccccc5sc34)cc2O1
C1COc2cc(Nc3ncnc4c5ccccc5sc34)ccc2O1
Fc1cc(Br)ccc1Nc1ncnc2c3ccccc3sc12
Oc1ccc(Nc2ncnc3c2sc2ccccc32)cc1[N+]([O-])=O
Nc1nc2c(nccc2[nH]1)-c1ccc[nH]1
O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
CCCn1cnc2c(NCc3ccc(C)s3)nc(N[C@H](CC)CO)nc12 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
COc1ccc2N=C(C(=O)c2c1)c1c(O)[nH]c2ccccc12 |c:6|
COc1ccc2N=C(C(=O)c2c1)c1[nH]c2ccc(OC)cc2c1O |c:6|
Cc1ccc2N=C(C(=O)c2c1)c1c(O)[nH]c2ccccc12 |c:5|
COc1ccc2[nH]c(O)c(C3=Nc4ccccc4C3=O)c2c1 |t:10|
COc1ccc2N=C(C(=O)c2c1)c1[nH]c2ccccc2c1O |c:6|
O=C1C(Nc2ccccc12)=C1Nc2ccccc2C1=O |w:2.2|
O=C1Nc2ccccc2\C1=C1/Nc2ccccc2C1=O
Cc1ccc2[nH]c(O)c(C3=Nc4ccccc4C3=O)c2c1 |t:9|
COc1ccc2N=C(C(=O)c2c1)c1c(O)[nH]c2ccc(OC)cc12 |c:6|
Cn1c(O)c(C2=Nc3ccccc3C2=O)c2ccccc12 |t:5|
CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |w:4.3,c:6|
CCN(CC)CCO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:10|
Oc1[nH]c2c(I)cccc2c1-c1[nH]c2ccccc2c1N=O |(26.57,-40.82,;27.04,-39.35,;28.5,-38.87,;28.49,-37.34,;29.64,-36.32,;31.1,-36.79,;29.32,-34.82,;27.85,-34.35,;26.72,-35.37,;27.04,-36.86,;26.14,-38.11,;24.6,-38.11,;23.69,-39.38,;22.21,-38.9,;20.87,-39.67,;19.53,-38.9,;19.53,-37.35,;20.87,-36.58,;22.2,-37.35,;23.68,-36.86,;24.15,-35.38,;23.11,-34.25,)|
Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCCN2CCCC2)c2cccc(Br)c12 |t:5|
CO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:4|
Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)|
Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(I)c12 |(.69,-3.32,;-.56,-2.41,;-2.02,-2.89,;-2.5,-4.36,;-2.93,-1.65,;-4.46,-1.65,;-5.37,-2.92,;-6.85,-2.45,;-8.19,-3.21,;-9.53,-2.44,;-9.53,-.9,;-8.2,-.12,;-6.86,-.89,;-5.38,-.41,;-4.91,1.07,;-5.95,2.2,;-2.03,-.41,;-2.35,1.09,;-1.22,2.11,;.25,1.64,;.57,.14,;2.03,-.34,;-.57,-.88,)|
CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)n(C)c2c(Cl)cccc12 |w:4.3,c:6|
Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2ccccc12 |(24.48,-10.48,;23.22,-9.57,;21.77,-10.04,;21.29,-11.51,;20.87,-8.8,;19.33,-8.8,;18.41,-10.06,;16.94,-9.57,;15.59,-10.34,;14.26,-9.57,;14.26,-8.03,;15.59,-7.26,;16.94,-8.03,;18.41,-7.54,;18.88,-6.09,;17.86,-4.95,;21.77,-7.56,;21.44,-6.07,;22.57,-5.02,;24.04,-5.49,;24.37,-7.01,;23.22,-8.03,)|
CO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(I)cccc12 |c:4|
Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCCBr)c2cccc(Br)c12 |t:5|
CO\N=C1/C(=Nc2ccccc12)c1c(O)[nH]c2ccccc12 |c:4|
CCN(CC)C(=O)O\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:10|
CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |w:4.3,c:6|
Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c12 |(16.04,-29.76,;14.79,-28.85,;13.33,-29.34,;12.86,-30.81,;12.42,-28.1,;10.88,-28.11,;9.98,-29.37,;8.5,-28.9,;7.16,-29.67,;5.82,-28.9,;5.82,-27.35,;7.15,-26.58,;8.49,-27.34,;9.97,-26.86,;10.19,-25.33,;8.97,-24.37,;13.32,-26.85,;13,-25.36,;14.13,-24.33,;15.6,-24.8,;15.92,-26.3,;17.39,-26.77,;14.78,-27.32,)|
Oc1[nH]c2ccc(Br)cc2c1-c1[nH]c2ccccc2c1N=O |(-3.06,-37.14,;-2.59,-35.67,;-1.13,-35.19,;-1.13,-33.66,;.01,-32.64,;-.31,-31.14,;-1.78,-30.66,;-2.1,-29.16,;-2.91,-31.69,;-2.59,-33.18,;-3.49,-34.43,;-5.03,-34.43,;-5.94,-35.7,;-7.42,-35.22,;-8.76,-35.99,;-10.1,-35.22,;-10.09,-33.67,;-8.76,-32.9,;-7.43,-33.67,;-5.95,-33.18,;-5.48,-31.71,;-6.52,-30.57,)|
CC[NH+](CC)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:10|
Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Cl)c12 |(17.87,-47.93,;16.62,-47.03,;15.16,-47.5,;14.68,-48.97,;14.25,-46.26,;12.71,-46.27,;11.81,-47.53,;10.32,-47.06,;8.99,-47.83,;7.65,-47.05,;7.65,-45.51,;8.98,-44.74,;10.32,-45.5,;11.8,-45.02,;12.26,-43.55,;10.84,-42.13,;15.15,-45.02,;14.83,-43.53,;15.96,-42.5,;17.43,-42.97,;17.75,-44.47,;19.21,-44.95,;16.61,-45.5,)|
CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)n(C)c2c(F)cccc12 |w:4.3,c:6|
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CCOCC1 |t:13|
CC[NH+](CC)CCO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:10|
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCBr |t:13|
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CC[NH2+]CC1 |t:13|
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCN1CCNCC1 |t:13|
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCn1ccnc1 |t:13|
CO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Cl)cccc12 |c:4|
Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCCN2CCOCC2)c2cccc(Br)c12 |t:5|
Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(F)c12 |(4.43,-2.21,;3.18,-1.31,;1.72,-1.79,;1.25,-3.26,;.82,-.55,;-.72,-.55,;-1.62,-1.82,;-3.11,-1.34,;-4.45,-2.11,;-5.78,-1.34,;-5.78,.21,;-4.45,.98,;-3.11,.21,;-1.63,.7,;-1.16,2.17,;-2.25,3.26,;1.72,.7,;1.4,2.19,;2.53,3.22,;4,2.74,;4.32,1.24,;5.78,.76,;3.18,.22,)|
Oc1[nH]c2c(Cl)cccc2c1C1=Nc2ccccc2C1=O |t:13|
Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCCn2ccnc2)c2cccc(Br)c12 |t:5|
Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCC[NH+]2CCCC2)c2cccc(Br)c12 |t:5|
Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
CCN(CC)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:10|
CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)[nH]c2c(Cl)cccc12 |w:4.3,c:6|
Oc1[nH]c2c(Cl)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.25,;1.71,-1.79,;3.17,-1.31,;3.18,.23,;4.31,1.25,;5.78,.77,;3.99,2.75,;2.53,3.23,;1.39,2.2,;1.71,.71,;.81,-.54,;-.75,-.54,;-1.65,-1.79,;-3.12,-1.32,;-4.45,-2.1,;-5.79,-1.33,;-5.79,.22,;-4.46,.99,;-3.12,.22,;-1.66,.7,;-1.17,2.18,;-2.26,3.27,)|
Oc1[nH]c2c(I)cccc2c1C1=Nc2ccccc2C1=O |t:13|
CO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(F)cccc12 |c:4|
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CCCC1 |t:13|
Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(F)c12 |t:5|
Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(Cl)c12 |t:5|
CCN(CC)C(=O)O\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:10|
CO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:4|
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCN1CCOCC1 |t:13|
C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:8|
CO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Cl)cccc12 |c:4|
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCN1CCCC1 |t:13|
Oc1[nH]c2c(F)cccc2c1-c1[nH]c2ccccc2c1N=O |(1.25,-3.26,;1.73,-1.79,;3.19,-1.31,;3.18,.22,;4.32,1.24,;5.79,.77,;4,2.75,;2.53,3.22,;1.4,2.19,;1.72,.7,;.82,-.55,;-.72,-.55,;-1.62,-1.82,;-3.11,-1.34,;-4.45,-2.11,;-5.79,-1.34,;-5.78,.21,;-4.45,.98,;-3.11,.22,;-1.63,.7,;-1.16,2.17,;-2.25,3.26,)|
Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(Br)c12 |t:5|
Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2C1=O |t:13|
CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |w:4.3,c:6|
CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)[nH]c2c(F)cccc12 |w:4.3,c:6|
Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(I)c12 |t:5|
CO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(I)cccc12 |c:4|
CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)[nH]c2c(I)cccc12 |w:4.3,c:6|
CO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(F)cccc12 |c:4|
CN(C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:8|
CN(C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:8|
CC(=O)ON=C1C(=Nc2ccccc12)c1c(O)n(C)c2c(I)cccc12 |w:4.3,c:6|
C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12 |c:8|
Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCC[NH+]2CCOCC2)c2cccc(Br)c12 |t:5|
CC(=O)Nc1cc(C)c(s1)-c1nnc2SCC(C)=Nn12 |c:18|
Cc1cc(NC(=O)CCl)sc1-c1nnc2S\C(=C/c3ccc(Cl)cc3)C(=Nn12)c1cc(F)c(Cl)cc1Cl |c:27|
Cc1cc(NC(=O)CCl)sc1-c1nnc2sc(nn12)-c1cccc(c1)[N+]([O-])=O
CC1=Nn2c(SC1)nnc2-c1sc(NC(=O)CCl)cc1-c1ccccc1 |t:1|
CC(=O)Nc1cc(c(s1)-c1nnc2SCC(=O)Nn12)-c1ccccc1
[O-][N+](=O)c1cccc(c1)-c1nn2c(nnc2s1)-c1sc(NC(=O)CCl)cc1-c1ccccc1
CC(=O)Nc1cc(c(s1)-c1nnc2Sc3nc4ccccc4nc3Nn12)-c1ccccc1
CC(=O)Nc1cc(c(s1)-c1nnc2S\C(=C/c3ccc(Cl)cc3)C(=Nn12)c1cc(F)c(Cl)cc1Cl)-c1ccccc1 |c:25|
CC(=O)Nc1cc(C)c(s1)-c1nnc2sc(S)nn12
Cc1cc(NC(=O)CCl)sc1-c1nnc2SCC(=O)Nn12
CC(=O)Nc1cc(C)c(s1)-c1nnc2SC(C(=Nn12)c1ccccc1)c1ccccc1 |c:17|
Cc1cc(NC(=O)CCl)sc1-c1nnc2S\C(=C/c3ccccc3)C(=Nn12)c1cc(F)c(Cl)cc1Cl |c:26|
CC(=O)Nc1cc(c(s1)-c1n[nH]c(=S)n1N)-c1ccccc1
CC(=O)Nc1cc(C)c(s1)-c1nnc2sc([CH-]c3cccc(c3)[N+]([O-])=O)c(n[n+]12)-c1cc(F)c(Cl)cc1Cl
CC(=O)Nc1cc(C)c(s1)-c1n[nH]c(=S)n1N
CC(=O)Nc1cc(c(s1)-c1nnc2sc(S)nn12)-c1ccccc1
CC(=O)Nc1cc(C)c(s1)-c1nnc2S\C(=C/c3ccccc3Cl)C(=Nn12)c1cc(F)c(Cl)cc1Cl |c:26|
CC(=O)Nc1cc(c(s1)-c1nnc2SCC(C)=Nn12)-c1ccccc1 |c:17|
Cc1cc(NC(=O)CCl)sc1-c1nnc2sc(nn12)-c1ccccc1
CC(=O)Nc1cc(C)c(s1)-c1nnc2sc(nn12)-c1cccc(c1)[N+]([O-])=O
Cc1cc(NC(=O)CCl)sc1-c1nnc2Sc3nc4ccccc4nc3Nn12
Sc1nn2c(nnc2s1)-c1sc(NC(=O)CCl)cc1-c1ccccc1
Cc1cc(NC(=O)CCl)sc1-c1nnc2SC(C(=Nn12)c1ccccc1)c1ccccc1 |c:18|
CC(=O)Nc1cc(C)c(s1)-c1nnc2Sc3nc4ccccc4nc3Nn12
CC(=O)Nc1cc(C)c(s1)-c1nnc2SCC(=O)Nn12
Fc1cc(C2=Nn3c(S\C2=C/c2ccc(Cl)cc2)nnc3-c2sc(NC(=O)CCl)cc2-c2ccccc2)c(Cl)cc1Cl |t:4|
[O-][N+](=O)c1cccc([CH-]c2sc3nnc(-c4sc(NC(=O)CCl)cc4-c4ccccc4)[n+]3nc2-c2cc(F)c(Cl)cc2Cl)c1
ClCC(=O)Nc1cc(c(s1)-c1nnc2SC(C(=Nn12)c1ccccc1)c1ccccc1)-c1ccccc1 |c:17|
Cc1cc(NC(=O)CCl)sc1-c1nnc2sc(S)nn12
Cc1cc(NC(=O)CCl)sc1-c1nnc2S\C(=C/c3ccccc3Cl)C(=Nn12)c1cc(F)c(Cl)cc1Cl |c:27|
CC(=O)Nc1cc(c(s1)-c1nnc2sc([CH-]c3cccc(c3)[N+]([O-])=O)c(n[n+]12)-c1cc(F)c(Cl)cc1Cl)-c1ccccc1
CC(=O)Nc1cc(C)c(s1)-c1nnc2S\C(=C/c3ccccc3)C(=Nn12)c1cc(F)c(Cl)cc1Cl |c:25|
Cc1cc(NC(=O)CCl)sc1-c1nnc2sc([CH-]c3cccc(c3)[N+]([O-])=O)c(n[n+]12)-c1cc(F)c(Cl)cc1Cl
Cc1cc(NC(=O)CCl)sc1-c1nnc2SCC(C)=Nn12 |c:19|
Fc1cc(C2=Nn3c(S\C2=C/c2ccccc2)nnc3-c2sc(NC(=O)CCl)cc2-c2ccccc2)c(Cl)cc1Cl |t:4|
Fc1cc(C2=Nn3c(S\C2=C/c2ccccc2Cl)nnc3-c2sc(NC(=O)CCl)cc2-c2ccccc2)c(Cl)cc1Cl |t:4|
ClCC(=O)Nc1cc(c(s1)-c1nnc2sc(nn12)-c1ccccc1)-c1ccccc1
ClCC(=O)Nc1cc(c(s1)-c1nnc2Sc3nc4ccccc4nc3Nn12)-c1ccccc1
CC(=O)Nc1cc(c(s1)-c1nnc2sc(nn12)-c1cccc(c1)[N+]([O-])=O)-c1ccccc1
CC(=O)Nc1cc(c(s1)-c1nnc2S\C(=C/c3ccccc3Cl)C(=Nn12)c1cc(F)c(Cl)cc1Cl)-c1ccccc1 |c:25|
Nn1c(n[nH]c1=S)-c1sc(NC(=O)CCl)cc1-c1ccccc1
CC(=O)Nc1cc(c(s1)-c1nnc2SC(C(=Nn12)c1ccccc1)c1ccccc1)-c1ccccc1 |c:16|
CC(=O)Nc1cc(c(s1)-c1nnc2sc(nn12)-c1ccccc1)-c1ccccc1
CC(=O)Nc1cc(C)c(s1)-c1nnc2S\C(=C/c3ccc(Cl)cc3)C(=Nn12)c1cc(F)c(Cl)cc1Cl |c:26|
ClCC(=O)Nc1cc(c(s1)-c1nnc2SCC(=O)Nn12)-c1ccccc1
Cc1cc(NC(=O)CCl)sc1-c1n[nH]c(=S)n1N
CC(=O)Nc1cc(C)c(s1)-c1nnc2sc(nn12)-c1ccccc1
CC(=O)Nc1cc(c(s1)-c1nnc2S\C(=C/c3ccccc3)C(=Nn12)c1cc(F)c(Cl)cc1Cl)-c1ccccc1 |c:24|
O[C@@]12CC\C=C/CCCCN3CC[C@@H](C(=C1)c1nccc4c5ccccc5[nH]c14)[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3 |r,c:4,14,36|
Oc1ccnc2[nH]cc(-c3ccncn3)c12
COc1ccnc2[nH]cc(-c3ccnc(SC)n3)c12
Nc1nccc(n1)-c1c[nH]c2nc(Br)ccc12
Cn1cc(-c2ccnc(N)n2)c2c(O)ccnc12
CC(C)Oc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
CCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
COc1ccnc2c1c(-c1ccnc(N)n1)c1ccnc(N)n21
COc1ccnc2[nH]cc(-c3ccncn3)c12
Nc1nccc(n1)-c1c[nH]c2nccc(Cl)c12
COCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2cc(ccc2N1)C#N
Cn1c-2c(CC(=O)Nc3cccnc-23)c2ccccc12
COc1ccc2[nH]c-3c(CC(=O)Nc4ccncc-34)c2c1
Clc1ccc2[nH]c-3c(CC(=O)Nc4ccncc-34)c2c1
Fc1ccc2[nH]c-3c(CC(=O)Nc4ccncc-34)c2c1
FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccncc-34)c2c1
O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2cnccc2N1
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccncc-34)c2c1
Brc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C#N)-c2n1
Ic1cc(cc2c3CC(=O)Nc4cccnc4-c3[nH]c12)C#N
Oc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
Cc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
COc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
Fc1cc(F)c2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
Ic1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
O=C1Cc2c([nH]c3ccccc23)-c2ncccc2N1
Clc1cc(Cl)c2c3CC(=O)Nc4cccnc4-c3[nH]c2c1
OC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
Clc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
Fc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2ncccc2N1
Brc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Clc1ccc2oc-3c(CC(=O)Nc4ccccc-34)c2c1
Brc1ccc2oc-3c(CC(=O)Nc4ccccc-34)c2c1
O=C1Cc2c(oc3ccccc23)-c2ccccc2N1
CCn1c-2c(CC(=O)Nc3ccncc-23)c2ccccc12
Cn1c-2c(CC(=O)Nc3ccncc-23)c2ccccc12
O=C1Cc2c(-c3ncccc3N1)n1CCc3cccc2c13
O=C1Cc2c(-c3ncccc3N1)n(Cc1ccccc1)c1ccccc21
CCn1c-2c(CC(=O)Nc3cccnc-23)c2ccccc12
O=C1Cc2c(-c3cnccc3N1)n(Cc1ccccc1)c1ccccc21
O=C1Cc2c(-c3ncccc3N1)n(-c1ccccc1)c1ccccc21
CCN(CC)CCCOC(=O)c1cc(-c2csc(n2)-c2ccncc2)c(=O)[nH]c1C(C)C
CCOC(=O)c1cc(-c2csc(n2)-c2ccnc(NCC(C)C)c2)c(=O)[nH]c1C
CCCc1[nH]c(=O)c(cc1C(=O)OCC)-c1csc(n1)-c1ccncc1
CCOC(=O)c1cc(-c2csc(n2)-c2ccnc(NC)c2)c(=O)[nH]c1C(C)C
CCN(CC)CC(C)OC(=O)c1cc(-c2csc(n2)-c2ccncc2)c(=O)[nH]c1C(C)C
CC(C)c1[nH]c(=O)c(cc1C(=O)OCCN1CCCC1)-c1csc(n1)-c1ccncc1
CC(C)c1[nH]c(=O)c(cc1C(=O)OC1CCCN(C)C1)-c1csc(n1)-c1ccncc1
CCN(CC)CCOC(=O)c1cc(-c2csc(n2)-c2ccncc2)c(=O)[nH]c1C(C)C
CCOC(=O)c1cc(-c2csc(n2)-c2ccnc(NCCN(CC)CC)c2)c(=O)[nH]c1C
CCOC(=O)c1cc(-c2csc(n2)-c2ccnc(OC)c2)c(=O)[nH]c1C(C)C
CCOC(=O)c1cc(-c2csc(n2)-c2ccncc2)c(=O)[nH]c1C1CC1
CCOC(=O)c1cc(-c2csc(n2)-c2ccncc2)c(=O)[nH]c1C
CCOC(=O)c1cc(-c2csc(n2)-c2ccncc2)c(=O)[nH]c1C(C)C
CCOC(=O)c1cc(-c2csc(n2)-c2ccncc2)c(=O)[nH]c1COCc1ccccc1
CC(C)c1[nH]c(=O)c(cc1C(=O)OC1CCN(C)CC1)-c1csc(n1)-c1ccncc1
CCOC(=O)c1cc(-c2csc(n2)-c2ccncc2)c(=O)[nH]c1C(F)(F)F
CCOC(=O)c1cc(-c2csc(n2)-c2ccncc2)c(=O)[nH]c1CC
CCOC(=O)c1cc(-c2csc(n2)-c2ccnc(Cl)c2)c(=O)[nH]c1C
CCOC(=O)c1cc(-c2csc(n2)-c2ccnc(N)c2)c(=O)[nH]c1C
CC(C)c1[nH]c(=O)c(cc1C(=O)OCCc1ccccc1)-c1csc(n1)-c1ccncc1
CCCc1[nH]c(=O)c(cc1C(=O)OCC)-c1csc(CS(=O)(=O)c2ccccc2)n1
CCOC(=O)c1cc(-c2csc(CS(=O)(=O)c3ccccc3)n2)c(=O)[nH]c1C
CCOC(=O)c1cc(-c2csc(CS(=O)(=O)c3ccccc3)n2)c(=O)[nH]c1COCc1ccccc1
O=C(Cc1ccccc1)Nc1ncc(s1)C1CCC1
O=C(Cc1ccccc1)Nc1cn(cn1)C1CCC1
COc1ccc(CC(=O)Nc2cn(cn2)C2CCC2)cc1
O=C(Cc1cccc2ccccc12)Nc1cn(cn1)C1CCC1
COc1ccc(CC(=O)Nc2cn(C)cn2)cc1
COc1ccc(CC(=O)Nc2cn(cn2)C(C)C)cc1
COc1ccc(CC(=O)Nc2cn(cn2)C2CC2)cc1
COc1ccc(CC(=O)Nc2cn(cn2)C2CCCC2)cc1
COc1ccc(CC(=O)Nc2cn(cn2)C2CCCCC2)cc1
COc1ccc(CC(=O)Nc2cn(Cc3ccccc3)cn2)cc1
COc1ccc(CC(=O)Nc2cn(cn2)[C@@H]2C[C@H](O)C2)cc1 |r,wU:15.15,17.18,(-2.4,7.95,;-.87,7.79,;-.25,6.39,;1.29,6.22,;1.91,4.82,;1.01,3.57,;1.63,2.16,;.73,.92,;-.8,1.08,;1.35,-.49,;.45,-1.73,;.92,-3.2,;-.32,-4.1,;-1.57,-3.2,;-1.09,-1.73,;-.32,-5.64,;-1.41,-6.73,;-.32,-7.82,;-.32,-9.36,;.77,-6.73,;-.53,3.73,;-1.15,5.14,)|
COc1ccc(CC(=O)Nc2cn(cn2)[C@H]2C[C@H](O)C2)cc1 |r,wU:15.15,wD:17.18,(29.97,-7.31,;31.3,-6.54,;31.31,-5,;29.98,-4.23,;29.98,-2.69,;31.32,-1.93,;31.33,-.39,;30,.39,;28.66,-.38,;30,1.93,;28.67,2.7,;27.43,1.79,;26.18,2.68,;26.64,4.15,;28.18,4.16,;24.72,2.19,;24.02,.81,;22.65,1.49,;21.19,1,;23.33,2.87,;32.65,-2.69,;32.65,-4.23,)|
COC(=O)[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2ccc(OC)cc2)c1 |r,wU:6.8,4.3,(-9.08,-15.29,;-7.72,-14.56,;-7.67,-13.02,;-8.98,-12.21,;-6.32,-12.29,;-5.63,-10.91,;-4.24,-11.59,;-4.94,-12.98,;-2.78,-11.1,;-2.32,-9.63,;-.78,-9.62,;-.29,-11.08,;1.04,-11.85,;1.04,-13.39,;-.3,-14.16,;2.37,-14.17,;2.36,-15.71,;1.02,-16.47,;1.02,-18.01,;2.35,-18.79,;2.34,-20.33,;1.01,-21.09,;3.69,-18.01,;3.69,-16.48,;-1.53,-12,)|
COC(=O)[C@H]1C[C@@H](C1)n1cnc(NC(=O)Cc2ccc(OC)cc2)c1 |r,wU:6.8,wD:4.3,(6.84,-15.63,;8.18,-14.86,;8.18,-13.32,;6.85,-12.55,;9.51,-12.56,;10.89,-13.24,;11.59,-11.86,;10.2,-11.18,;13.05,-11.37,;13.51,-9.9,;15.05,-9.89,;15.54,-11.35,;16.87,-12.12,;16.86,-13.66,;15.53,-14.43,;18.19,-14.43,;18.19,-15.97,;16.85,-16.74,;16.84,-18.27,;18.18,-19.05,;18.17,-20.59,;16.84,-21.36,;19.52,-18.28,;19.52,-16.74,;14.3,-12.26,)|
COc1ccc(CC(=O)Nc2cn(cn2)[C@@H]2C[C@@H](C2)NC(C)=O)cc1 |r,wU:15.15,17.20,(2.53,9.19,;1,9.03,;.37,7.63,;-1.16,7.46,;-1.78,6.06,;-.88,4.81,;-1.51,3.41,;-.6,2.16,;.93,2.32,;-1.23,.75,;-.32,-.49,;-.8,-1.96,;.45,-2.86,;1.69,-1.96,;1.22,-.49,;.45,-4.4,;-.64,-5.49,;.45,-6.58,;1.54,-5.49,;.45,-8.12,;-.89,-8.89,;-.89,-10.43,;-2.22,-8.12,;.65,4.97,;1.28,6.38,)|
COc1ccc(CC(=O)Nc2cn(cn2)[C@@H]2C[C@@H](C2)NS(C)(=O)=O)cc1 |r,wU:15.15,17.20,(1.33,-35.84,;2.67,-35.08,;2.67,-33.54,;1.34,-32.76,;1.35,-31.22,;2.69,-30.46,;2.69,-28.92,;1.36,-28.14,;.02,-28.91,;1.37,-26.6,;.03,-25.83,;-1.2,-26.75,;-2.46,-25.85,;-2,-24.38,;-.46,-24.37,;-3.92,-26.34,;-5.3,-25.66,;-5.99,-27.04,;-4.61,-27.73,;-7.32,-27.82,;-7.3,-29.36,;-8.62,-30.15,;-5.98,-28.58,;-6.55,-30.68,;4.01,-31.23,;4.01,-32.76,)|
CC(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1 |r,wU:6.8,4.3,(6.38,-30.85,;7.71,-30.06,;9.05,-30.82,;7.69,-28.52,;9.02,-27.74,;9.7,-26.36,;11.09,-27.05,;10.4,-28.43,;12.55,-26.56,;13.01,-25.09,;14.55,-25.07,;15.04,-26.53,;16.37,-27.31,;16.37,-28.85,;15.03,-29.61,;17.7,-29.62,;17.69,-31.16,;19.02,-31.93,;19.02,-33.46,;17.68,-34.24,;16.35,-33.46,;15.03,-34.22,;13.7,-33.46,;13.7,-31.92,;15.03,-31.16,;16.35,-31.93,;13.81,-27.45,)|
NC(=O)[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1 |r,wU:5.7,3.2,(21.99,-28.62,;23.33,-29.37,;23.35,-30.91,;24.66,-28.59,;25.34,-27.21,;26.73,-27.89,;26.04,-29.28,;28.19,-27.4,;28.65,-25.93,;30.19,-25.92,;30.68,-27.38,;32.01,-28.15,;32.01,-29.69,;30.67,-30.46,;33.34,-30.47,;33.33,-32.01,;34.66,-32.78,;34.66,-34.31,;33.32,-35.09,;31.99,-34.31,;30.67,-35.07,;29.34,-34.31,;29.34,-32.77,;30.67,-32.01,;32,-32.78,;29.45,-28.3,)|
CN([C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1)C(C)=O |r,wU:4.6,2.1,(-10.8,-41.68,;-9.46,-42.44,;-8.14,-41.65,;-7.45,-40.28,;-6.06,-40.96,;-6.76,-42.34,;-4.6,-40.47,;-4.14,-39,;-2.6,-38.98,;-2.11,-40.44,;-.78,-41.22,;-.79,-42.76,;-2.12,-43.52,;.54,-43.53,;.54,-45.07,;1.87,-45.84,;1.87,-47.38,;.53,-48.15,;-.81,-47.37,;-2.13,-48.14,;-3.45,-47.37,;-3.45,-45.83,;-2.12,-45.07,;-.8,-45.84,;-3.35,-41.36,;-9.45,-43.98,;-10.77,-44.76,;-8.11,-44.73,)|
O=C(Cc1cccc2ccccc12)Nc1cn(cn1)[C@@H]1C[C@@H](C1)NC(=O)c1ccncc1 |r,wU:21.26,19.21,(31.19,-43.99,;32.52,-43.23,;33.86,-44,;33.85,-45.54,;35.18,-46.31,;35.18,-47.84,;33.84,-48.62,;32.5,-47.84,;31.18,-48.6,;29.86,-47.84,;29.86,-46.3,;31.19,-45.54,;32.51,-46.31,;32.53,-41.68,;31.2,-40.91,;29.96,-41.83,;28.71,-40.93,;29.17,-39.47,;30.71,-39.45,;27.25,-41.42,;25.86,-40.74,;25.17,-42.12,;26.55,-42.81,;23.85,-42.9,;22.51,-42.15,;22.49,-40.61,;21.18,-42.93,;19.85,-42.17,;18.52,-42.95,;18.54,-44.49,;19.89,-45.25,;21.21,-44.46,)|
O=C(Cc1cccc2ccccc12)Nc1cn(cn1)[C@@H]1C[C@@H](C1)NC(=O)c1cccnc1 |r,wU:21.26,19.21,(3.14,2.57,;4.48,3.33,;5.81,2.56,;5.8,1.02,;7.13,.25,;7.13,-1.29,;5.79,-2.06,;4.46,-1.28,;3.13,-2.05,;1.81,-1.28,;1.81,.26,;3.14,1.02,;4.46,.25,;4.48,4.87,;3.15,5.65,;1.91,4.73,;.66,5.62,;1.12,7.09,;2.66,7.11,;-.8,5.13,;-2.19,5.82,;-2.88,4.44,;-1.5,3.75,;-4.2,3.65,;-5.54,4.41,;-5.56,5.95,;-6.87,3.63,;-8.2,4.39,;-9.53,3.61,;-9.51,2.07,;-8.16,1.31,;-6.84,2.09,)|
O=C(Cc1cccc2ccccc12)Nc1cn(cn1)[C@@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:21.26,19.21,(28.29,2.47,;29.63,3.24,;30.96,2.46,;30.96,.92,;32.28,.16,;32.28,-1.38,;30.94,-2.15,;29.61,-1.38,;28.29,-2.14,;26.96,-1.38,;26.96,.16,;28.29,.93,;29.62,.16,;29.63,4.78,;28.3,5.55,;27.07,4.63,;25.81,5.53,;26.27,7,;27.81,7.01,;24.35,5.04,;22.96,5.72,;22.28,4.34,;23.66,3.66,;20.95,3.56,;19.61,4.32,;19.6,5.86,;18.29,3.53,;16.95,4.29,;15.63,3.51,;15.64,1.97,;16.99,1.21,;18.31,2,)|
Clc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1 |r,wU:10.10,12.15,(-7.08,-11.69,;-7.1,-10.15,;-8.45,-9.39,;-8.47,-7.85,;-7.14,-7.07,;-5.81,-7.83,;-5.78,-9.36,;-4.48,-7.05,;-4.5,-5.51,;-3.14,-7.8,;-1.81,-7.02,;-1.13,-5.64,;.26,-6.32,;-.44,-7.71,;1.72,-5.83,;2.18,-4.37,;3.72,-4.35,;4.21,-5.81,;5.54,-6.58,;5.54,-8.13,;4.2,-8.89,;6.87,-8.9,;6.86,-10.44,;8.19,-11.21,;8.19,-12.74,;6.85,-13.52,;5.52,-12.74,;4.19,-13.5,;2.87,-12.74,;2.87,-11.2,;4.2,-10.44,;5.52,-11.21,;2.97,-6.73,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1 |r,wU:10.10,12.15,(14.65,-10.99,;14.63,-9.45,;13.28,-8.7,;13.27,-7.16,;14.59,-6.38,;15.92,-7.14,;15.95,-8.67,;17.25,-6.35,;17.24,-4.81,;18.59,-7.11,;19.92,-6.33,;20.6,-4.95,;21.99,-5.63,;21.3,-7.01,;23.45,-5.14,;23.91,-3.67,;25.45,-3.66,;25.94,-5.12,;27.27,-5.89,;27.27,-7.43,;25.93,-8.2,;28.6,-8.21,;28.59,-9.75,;29.92,-10.51,;29.92,-12.05,;28.58,-12.82,;27.25,-12.05,;25.93,-12.81,;24.6,-12.05,;24.6,-10.51,;25.93,-9.74,;27.25,-10.51,;24.7,-6.03,)|
[S-]C(=S)NNC(=O)Cc1c(NC(=O)c2ccccc2)sc2CCCCc12
OC(=O)CCNc1sc2CCCCc2c1CC(=O)NNC([S-])=S
Nn1c(Cc2c3CCCCc3sc2NC(=O)CCl)n[nH]c1=S
CC(=O)Nc1sc2CCCCc2c1Cc1n[nH]c(=S)n1N
Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n[nH]c1=S
Nn1c(Cc2c3CCCCc3sc2NCCC(O)=O)n[nH]c1=S
ClCC(=O)Nc1sc2CCCCc2c1Cc1n[nH]c(=S)n1NC(=O)c1ccc(Cl)cc1
CC(=O)Nc1sc2CCCCc2c1Cc1n[nH]c(=S)n1NC(=O)c1ccc(Cl)cc1
Clc1ccc(cc1)C(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n[nH]c1=S
OC(=O)CCNc1sc2CCCCc2c1Cc1n[nH]c(=S)n1NC(=O)c1ccc(Cl)cc1
ClCC(=O)Nc1sc2CCCCc2c1Cc1n[nH]c(=S)n1NC(=O)c1ccccc1
CC(=O)Nc1sc2CCCCc2c1Cc1n[nH]c(=S)n1NC(=O)c1ccccc1
O=C(Nc1sc2CCCCc2c1Cc1n[nH]c(=S)n1NC(=O)c1ccccc1)c1ccccc1
OC(=O)CCNc1sc2CCCCc2c1Cc1n[nH]c(=S)n1NC(=O)c1ccccc1
CC(=O)Nn1c(Cc2c3CCCCc3sc2NC(=O)CCl)n[nH]c1=S
CC(=O)Nc1sc2CCCCc2c1Cc1n[nH]c(=S)n1NC(C)=O
CC(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n[nH]c1=S
CC(=O)Nn1c(Cc2c3CCCCc3sc2NCCC(O)=O)n[nH]c1=S
Clc1ccc(cc1)C(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)nnc1SCSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCSc2nnc(Cc3c(NCCC(O)=O)sc4CCCCc34)n2NC(=O)c2ccc(Cl)cc2)n1NC(=O)c1ccc(Cl)cc1
ClCC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCSc2nnc(Cc3c(NC(=O)CCl)sc4CCCCc34)n2NC(=O)c2ccccc2)n1NC(=O)c1ccccc1
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCSc2nnc(Cc3c(NC(C)=O)sc4CCCCc34)n2NC(=O)c2ccccc2)n1NC(=O)c1ccccc1
O=C(Nc1sc2CCCCc2c1Cc1nnc(SCSc2nnc(Cc3c(NC(=O)c4ccccc4)sc4CCCCc34)n2NC(=O)c2ccccc2)n1NC(=O)c1ccccc1)c1ccccc1
OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCSc2nnc(Cc3c(NCCC(O)=O)sc4CCCCc34)n2NC(=O)c2ccccc2)n1NC(=O)c1ccccc1
CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3CCCCc23)nnc1SCSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(C)=O
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCSc2nnc(Cc3c(NC(C)=O)sc4CCCCc34)n2NC(C)=O)n1NC(C)=O
CC(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)nnc1SCSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(C)=O
CC(=O)Nn1c(Cc2c(NCCC(O)=O)sc3CCCCc23)nnc1SCSc1nnc(Cc2c(NCCC(O)=O)sc3CCCCc23)n1NC(C)=O
CC(=O)Nc1sc2CCCCc2c1CC(=O)NNC([S-])=S
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC#N)n1NC(=O)c1ccc(Cl)cc1
Clc1ccc(cc1)C(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)nnc1SCC#N
OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC#N)n1NC(=O)c1ccc(Cl)cc1
ClCC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC#N)n1NC(=O)c1ccccc1
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC#N)n1NC(=O)c1ccccc1
O=C(Nc1sc2CCCCc2c1Cc1nnc(SCC#N)n1NC(=O)c1ccccc1)c1ccccc1
OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC#N)n1NC(=O)c1ccccc1
CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3CCCCc23)nnc1SCC#N
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC#N)n1NC(C)=O
CC(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)nnc1SCC#N
CC(=O)Nn1c(Cc2c(NCCC(O)=O)sc3CCCCc23)nnc1SCC#N
COC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
COC(=O)CSc1nnc(Cc2c(NC(C)=O)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
COC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
COC(=O)CSc1nnc(Cc2c3CCCCc3sc2NCCC(O)=O)n1NC(=O)c1ccc(Cl)cc1
COC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(=O)c1ccccc1
COC(=O)CSc1nnc(Cc2c(NC(C)=O)sc3CCCCc23)n1NC(=O)c1ccccc1
COC(=O)CSc1nnc(Cc2c(NCCC(O)=O)sc3CCCCc23)n1NC(=O)c1ccccc1
COC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(C)=O
COC(=O)CSc1nnc(Cc2c(NC(C)=O)sc3CCCCc23)n1NC(C)=O
COC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(C)=O
COC(=O)CSc1nnc(Cc2c(NCCC(O)=O)sc3CCCCc23)n1NC(C)=O
NNC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN)n1NC(=O)c1ccc(Cl)cc1
NNC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
NNC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(=O)c1ccccc1
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN)n1NC(=O)c1ccccc1
NNC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccccc1
NNC(=O)CSc1nnc(Cc2c(NCCC(O)=O)sc3CCCCc23)n1NC(=O)c1ccccc1
CC(=O)Nn1c(Cc2c3CCCCc3sc2NC(=O)CCl)nnc1SCC(=O)NN
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN)n1NC(C)=O
CC(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)nnc1SCC(=O)NN
CC(=O)Nn1c(Cc2c3CCCCc3sc2NCCC(O)=O)nnc1SCC(=O)NN
CC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(C)=O
CC(=O)NNC(=O)CSc1nnc(Cc2c(NCCC(O)=O)sc3CCCCc23)n1NC(C)=O
CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3CCCCc23)nnc1SCC(=O)NNC(=O)c1ccccc1
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1NC(C)=O
CC(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)nnc1SCC(=O)NNC(=O)c1ccccc1
CC(=O)Nn1c(Cc2c(NCCC(O)=O)sc3CCCCc23)nnc1SCC(=O)NNC(=O)c1ccccc1
CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3CCCCc23)nnc1SCC(=O)NNC(=O)CCl
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)CCl)n1NC(C)=O
CC(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)nnc1SCC(=O)NNC(=O)CCl
CC(=O)Nn1c(Cc2c3CCCCc3sc2NCCC(O)=O)nnc1SCC(=O)NNC(=O)CCl
CC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
CC(=O)NNC(=O)CSc1nnc(Cc2c3CCCCc3sc2NCCC(O)=O)n1NC(=O)c1ccc(Cl)cc1
ClCC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1NC(=O)c1ccc(Cl)cc1
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1NC(=O)c1ccc(Cl)cc1
Clc1ccc(cc1)C(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)nnc1SCC(=O)NNC(=O)c1ccccc1
OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1NC(=O)c1ccc(Cl)cc1
ClCC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
ClCC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)CCl)n1NC(=O)c1ccc(Cl)cc1
CC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(=O)c1ccccc1
CC(=O)NNC(=O)CSc1nnc(Cc2c(NC(C)=O)sc3CCCCc23)n1NC(=O)c1ccccc1
CC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccccc1
CC(=O)NNC(=O)CSc1nnc(Cc2c(NCCC(O)=O)sc3CCCCc23)n1NC(=O)c1ccccc1
ClCC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1NC(=O)c1ccccc1
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1NC(=O)c1ccccc1
O=C(CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccccc1)NNC(=O)c1ccccc1
OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1NC(=O)c1ccccc1
ClCC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(=O)c1ccccc1
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)CCl)n1NC(=O)c1ccccc1
OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)CCl)n1NC(=O)c1ccccc1
CC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(C)=O
CC(=O)NNC(=O)CSc1nnc(Cc2c(NC(C)=O)sc3CCCCc23)n1NC(C)=O
ClCC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(=O)c1ccc(Cl)cc1 |w:24.25|
Clc1ccc(cc1)C(=O)Nn1c(Cc2c3CCCCc3sc2NC(=O)c2ccccc2)nnc1SCC(=O)NN=Cc1ccccc1 |w:39.43|
OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(=O)c1ccc(Cl)cc1 |w:25.26|
ClCC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(=O)c1ccccc1 |w:24.25|
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(=O)c1ccccc1 |w:23.24|
O=C(CSc1nnc(Cc2c3CCCCc3sc2NC(=O)c2ccccc2)n1NC(=O)c1ccccc1)NN=Cc1ccccc1 |w:38.42|
OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(=O)c1ccccc1 |w:25.26|
CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3CCCCc23)nnc1SCC(=O)NN=Cc1ccccc1 |w:29.31|
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(C)=O |w:23.24|
CC(=O)Nn1c(Cc2c3CCCCc3sc2NC(=O)c2ccccc2)nnc1SCC(=O)NN=Cc1ccccc1 |w:33.36|
CC(=O)Nn1c(Cc2c(NCCC(O)=O)sc3CCCCc23)nnc1SCC(=O)NN=Cc1ccccc1 |w:30.32|
Nn1c(CSc2nnc(Cc3c4CCCCc4sc3NC(=O)CCl)n2NC(=O)c2ccc(Cl)cc2)n[nH]c1=S
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCc2n[nH]c(=S)n2N)n1NC(=O)c1ccc(Cl)cc1
Nn1c(CSc2nnc(Cc3c4CCCCc4sc3NC(=O)c3ccccc3)n2NC(=O)c2ccc(Cl)cc2)n[nH]c1=S
Nn1c(CSc2nnc(Cc3c(NCCC(O)=O)sc4CCCCc34)n2NC(=O)c2ccc(Cl)cc2)n[nH]c1=S
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCc2n[nH]c(=S)n2N)n1NC(=O)c1ccccc1
Nn1c(CSc2nnc(Cc3c(NC(=O)c4ccccc4)sc4CCCCc34)n2NC(=O)c2ccccc2)n[nH]c1=S
Nn1c(CSc2nnc(Cc3c4CCCCc4sc3NCCC(O)=O)n2NC(=O)c2ccccc2)n[nH]c1=S
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCc2n[nH]c(=S)n2N)n1NC(C)=O
CC(=O)Nn1c(Cc2c3CCCCc3sc2NC(=O)c2ccccc2)nnc1SCc1n[nH]c(=S)n1N
CC(=O)Nn1c(Cc2c(NCCC(O)=O)sc3CCCCc23)nnc1SCc1n[nH]c(=S)n1N
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCSc2nnc(Cc3c(NC(C)=O)sc4CCCCc34)n2NC(=O)c2ccc(Cl)cc2)n1NC(=O)c1ccc(Cl)cc1
ClCC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCSc2nnc(Cc3c(NC(=O)CCl)sc4CCCCc34)n2NC(=O)c2ccc(Cl)cc2)n1NC(=O)c1ccc(Cl)cc1
ClCC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC#N)n1NC(=O)c1ccc(Cl)cc1
COC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccccc1
CC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)CCl)n1NC(=O)c1ccc(Cl)cc1
CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(=O)c1ccc(Cl)cc1 |w:23.24|
CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3CCCCc23)nnc1SCc1n[nH]c(=S)n1N
NNC(=O)CSc1nnc(Cc2c3CCCCc3sc2NCCC(O)=O)n1NC(=O)c1ccc(Cl)cc1
CC(=O)NNC(=O)CSc1nnc(Cc2c(NC(C)=O)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
ClCC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccccc1
Nn1c(CSc2nnc(Cc3c4CCCCc4sc3NC(=O)CCl)n2NC(=O)c2ccccc2)n[nH]c1=S
[S-]C(=S)NNC(=O)Cc1c(NC(=O)CCl)sc2CCCCc12
O=C1NC(NCC2CC2)=NC1=Cc1ccc2OCOc2c1 |w:11.13,c:9|
Cc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Oc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7|
O=C1NC(Nc2ccc3OCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:16.19,c:15|
O=C1NC(Nc2ccc3OCCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:17.20,c:16|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCC1CC1 |w:5.5,c:17|
CN1C(NC2CCCC2)=NC(=Cc2ccc3OCOc3c2)C1=O |w:11.12,c:9|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCO |w:5.5,c:17|
COCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCO |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCCCO |w:5.5,c:17|
CN1C(NC(C)=O)=N\C(=C/c2ccc3OCOc3c2)C1=O |c:6|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCc1ccccc1 |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCc1ccc2OCOc2c1 |w:5.5,c:17|
CN1C(Nc2ccccc2)=NC(=Cc2ccc3OCOc3c2)C1=O |w:12.13,c:10|
COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2C)cc1 |w:10.10,t:7|
CN1C(Nc2ccc3OCOc3c2)=NC(=Cc2ccc3OCOc3c2)C1=O |w:15.17,c:14|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1Nc1ccc2OCCOc2c1 |w:5.5,c:17|
CCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1 |w:6.6,t:3|
CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:5.5,t:2|
CCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:6.6,t:3|
CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:7.7,t:4|
CC(C)NC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:7.7,t:4|
CCCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
CC(C)CCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:9.9,t:6|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCC=C |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN1CCOCC1 |w:5.5,c:17|
CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1Nc1ccc(O)cc1 |w:5.5,c:17|
CCOC(=O)C(=O)NC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:8|
CC(C)CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1 |w:7.7,t:4|
Nc1ncc(I)c(n1)-c1c[nH]c2c(N)cccc12
Nc1ccc2c(c[nH]c2c1)-c1nc(N)ncc1I
Nc1ccc2[nH]cc(-c3nc(N)ncc3I)c2c1
Nc1ncc(I)c(n1)-c1c[nH]c2cccc(N)c12
Nc1ncc(I)c(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O
Nc1ncc(I)c(n1)-c1c[nH]c2cc(ccc12)[N+]([O-])=O
Nc1ncc(I)c(n1)-c1c[nH]c2ccc(cc12)[N+]([O-])=O
Nc1ncc(I)c(n1)-c1c[nH]c2cccc([N+]([O-])=O)c12
Nc1nccc(n1)-c1c[nH]c2ccccc12
Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O
Nc1nccc(n1)-c1c[nH]c2cc(ccc12)[N+]([O-])=O
COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2cc(Br)ccc12
COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccc(Br)cc12
COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2cccc(Br)c12
Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2c(Br)cccc12
Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2cc(Br)ccc12
Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2ccc(Br)cc12
Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2cccc(Br)c12
CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2cc(Br)ccc12
CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2ccc(Br)cc12
CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2cccc(Br)c12
CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2cc(Br)ccc12
CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2ccc(Br)cc12
CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2cccc(Br)c12
Nc1ncc(I)c(n1)-c1c[nH]c2c(Br)cccc12
Nc1ncc(I)c(n1)-c1c[nH]c2cc(Br)ccc12
Nc1ncc(I)c(n1)-c1c[nH]c2ccc(Br)cc12
Nc1ncc(I)c(n1)-c1c[nH]c2cccc(Br)c12
Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
Nc1nccc(n1)-c1c[nH]c2cccc(Br)c12
Nc1ncc(I)c(n1)-c1c[nH]c2ccccc12
CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
Oc1ccc(cc1)-c1cncc(c1)-c1cc2cc(O)ccc2[nH]1
Oc1ccc2[nH]c(cc2c1)-c1cncc(c1)-c1ccc(cc1)C#N
CS(=O)(=O)c1ccc(cc1)-c1cncc(c1)-c1cc2cc(O)ccc2[nH]1
Oc1ccc(cc1)-c1cncc(n1)-c1cc2cc(O)ccc2[nH]1
Oc1ccc2[nH]c(cc2c1)-c1cncc(n1)-c1ccc(cc1)C#N
CS(=O)(=O)c1ccc(cc1)-c1cncc(n1)-c1cc2cc(O)ccc2[nH]1
Oc1ccc(cc1)-c1cncc(c1)-c1cc2ccc(O)cc2[nH]1
Oc1ccc2cc([nH]c2c1)-c1cncc(c1)-c1ccc(cc1)C#N
CS(=O)(=O)c1ccc(cc1)-c1cncc(c1)-c1cc2ccc(O)cc2[nH]1
Oc1ccc(cc1)-c1cncc(n1)-c1cc2ccc(O)cc2[nH]1
Oc1ccc2cc([nH]c2c1)-c1cncc(n1)-c1ccc(cc1)C#N
Oc1ccc(cc1)-c1ccnc(c1)-c1cc2cc(O)ccc2[nH]1
Oc1ccc(cc1)-c1ccnc(c1)-c1cc2ccc(O)cc2[nH]1
CS(=O)(=O)c1ccc(cc1)-c1cncc(n1)-c1cc2ccc(O)cc2[nH]1
Oc1ccc2oc(=O)c3[nH]c4cc5OCOc5cc4c3c2c1
COc1ccc(cc1)-c1ccc2c(c1)[nH]c1c2c2cc(O)ccc2oc1=O
Cc1ccc2c(c1)[nH]c1c2c2cc(O)ccc2oc1=O
Oc1ccc2c(c1)[nH]c1c2c2cc(O)ccc2oc1=O
Oc1ccc2oc(=O)c3[nH]c4ccc(F)cc4c3c2c1
Oc1ccc2[nH]c3c(c2c1)c1cc(O)c(O)cc1oc3=O
Oc1ccc2[nH]c3c(c2c1)c1cc(O)ccc1oc3=O
Oc1ccc2oc(=O)c3[nH]c4cccc(c4c3c2c1)C(F)(F)F
CCCOc1cccc2[nH]c3c(c12)c1cc(O)ccc1oc3=O
Cc1cccc2[nH]c3c(c12)c1cc(O)ccc1oc3=O
Oc1ccc2oc(=O)c3[nH]c4ccccc4c3c2c1
Oc1ccc2c(c1)[nH]c1c2c2ccc(O)cc2oc1=O
Oc1ccc2[nH]c3c(c2c1)c1ccc(O)cc1oc3=O
COc1cccc2oc(=O)c3[nH]c4ccccc4c3c12
O=c1oc2ccccc2c2c3ccccc3[nH]c12
Oc1ccc2c3c4ccccc4[nH]c3c(=O)oc2c1
CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NC[C@@H](O)CO)nc12 |r|
CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCC[C@H](O)[C@@H]3O)nc12 |r|
CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1C[C@H](O)C[C@H]1CO |r|
CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC[C@H](O)CO)nc12 |r|
CC(C)[C@H](N)C(=O)OC[C@H](O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccc(Br)cc4C3=O)c2c1
O[N-]c1c([nH]c2ccccc12)C1=c2ccc(cc2=[NH+]C1=O)[N+]([O-])=O |c:13,20|
Nc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
CC(=O)Nc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
Nc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
O[N-]c1c([nH]c2ccc(Br)cc12)C1=c2ccc(cc2=[NH+]C1=O)[N+]([O-])=O |c:14,21|
Nc1ccc2NC(=O)C(=C3Nc4ccc(Br)cc4C3=O)c2c1 |w:9.19|
Nc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:9.18|
Nc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Br)cc2c1N=O
CC(=O)Nc1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Br)cc2c1N=O
Nc1ccc2C(C(=O)Nc2c1)=C1Nc2ccccc2C1=O |w:11.22|
[O-]c1c([nH]c2ccccc12)C1=c2cc(ccc2=[NH+]C1=O)[N+]([O-])=O |c:12,19|
[O-]c1c([nH]c2ccccc12)C1=c2cc(cc(Br)c2=[NH+]C1=O)[N+]([O-])=O |c:12,20|
[O-][N+](=O)c1cc(Br)c2[nH]c(=O)[c-](C3=[NH+]c4ccc(Br)cc4C3=O)c2c1 |t:12|
[O-][N+](=O)c1ccc2[nH]c(=O)[c-](C3=[NH+]c4ccc(Br)cc4C3=O)c2c1 |t:11|
[O-][N+](=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
CC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1
[O-][N+](=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Br)cc2c1N=O
[O-][N+](=O)c1cc2C(C(=O)Nc2c(Br)c1)c1[nH]c2ccccc2c1N=O
[O-][N+](=O)c1cc2C(C(=O)Nc2c(Br)c1)c1[nH]c2ccc(Br)cc2c1N=O
[O-][N+](=O)c1ccc2[c-](C3=[NH+]c4ccccc4C3=O)c(=O)[nH]c2c1 |t:8|
[O-][N+](=O)c1ccc2[c-](C3=[NH+]c4ccc(Br)cc4C3=O)c(=O)[nH]c2c1 |t:8|
CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(Nc3ccnnc3)nc(nc12)C(C)(C)CO
CC(C)n1c(nc2c(Nc3ccnnc3)ncnc12)C(CO)CO
CC(C)[C@@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(Nc3ccnnc3)nc(Cl)nc12
CC(C)n1cnc2c(Nc3cnccn3)nc(Cc3cnccn3)nc12
CC(C)n1c(Nc2cncc(n2)C(C)(C)CO)nc2cncnc12
CC(C)[C@H](CO)Nc1cncc(Nc2nc3cncnc3n2C(C)C)n1 |r|
CC[C@H](CO)Nc1cncc(Nc2nc3cncnc3n2C(C)C)n1 |r|
CC(C)n1cnc2c(Nc3cnccn3)nc(Cl)nc12
CC(C)n1c(nc2c(Nc3cncnc3)ncnc12)C(CO)CO
CC(C)n1cnc2c(Nc3cncnc3)nc(nc12)C(C)(C)CO
CC(C)[C@@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(Nc3cncnc3)nc(Nc3cncnc3)nc12
CC(C)n1cnc2c(Nc3cncnc3)nc(Cl)nc12
CC(C)n1cnc2c(Nc3ccncn3)nc(nc12)C(C)(C)CO
CC(C)n1c(nc2c(Nc3ccncn3)ncnc12)C(CO)CO
CC(C)[C@@H](CO)Nc1nc(Nc2ccncn2)c2ncn(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2ccncn2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](CO)Nc1nc(Nc2ccncn2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(Nc2ccncn2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(Nc3ccncn3)nc(Cl)nc12
CC(C)[C@@H](CO)Nc1nc(Nc2ncccn2)c2ncn(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2ncccn2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](CO)Nc1nc(Nc2ncccn2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(Nc2ncccn2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(Nc3ncccn3)nc(Cl)nc12
CC(C)[C@@H](CO)Nc1nc(Nc2ccncc2)c2ncn(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2ccncc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](CO)Nc1nc(Nc2ccncc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(Nc2ccncc2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(Nc3ccncc3)nc(Cl)nc12
CC(C)n1c(nc2c(Nc3cccnc3)ncnc12)C(CO)CO
CC(C)[C@@H](CO)Nc1nc(Nc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](CO)Nc1nc(Nc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(Nc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(Nc3cccnc3)nc(Cl)nc12
CC(C)[C@@H](CO)Nc1nc(Nc2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](CO)Nc1nc(Nc2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(Nc2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(Nc3ccccn3)nc(Cl)nc12
COc1ccc2c(c1)sc1c(Nc3ccc(cc3)N(C)C)ncnc21
COc1ccc2c(c1)sc1c(Nc3cccc(c3)C(F)(F)F)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc(cc3)C#N)ncnc21
COc1ccc(Nc2ncnc3c4ccc(OC)cc4sc23)c(F)c1
COc1ccc2c(c1)sc1c(Nc3ccc(Br)cc3F)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc(F)cc3F)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc(Cl)cc3F)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc(F)c(Cl)c3)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc(Cl)cc3Cl)ncnc21
COc1ccc2c(c1)sc1c(Nc3cc(Cl)cc(Cl)c3)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc(Cl)c(Cl)c3)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccccc3Cl)ncnc21
COc1ccc2c(c1)sc1c(Nc3cccc(Cl)c3)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc(Cl)cc3)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc(Br)cc3)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc(F)cc3)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc4OCCOc4c3)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc4OCOc4c3)ncnc21
COc1ccc2c(c1)sc1c(Nc3cc(OC)c(OC)c(OC)c3)ncnc21
COc1ccc2c(c1)sc1c(Nc3cc(OC)cc(OC)c3)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc(OC)c(OC)c3)ncnc21
COc1ccc(Nc2ncnc3c4ccc(OC)cc4sc23)cc1
COc1ccc2c(c1)sc1c(Nc3cccc(C)c3)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccc(C)cc3)ncnc21
COc1ccc2c(c1)sc1c(Nc3ccccc3)ncnc21
COc1ccc2c(c1)sc1c(N)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc(cc3)N(C)C)ncnc21
COc1ccc2c(c1)oc1c(Nc3cccc(c3)C(F)(F)F)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc(cc3)C#N)ncnc21
COc1ccc(Nc2ncnc3c4ccc(OC)cc4oc23)c(F)c1
COc1ccc2c(c1)oc1c(Nc3ccc(Br)cc3F)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc(F)cc3F)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc(Cl)cc3F)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc(F)c(Cl)c3)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc(Cl)cc3Cl)ncnc21
COc1ccc2c(c1)oc1c(Nc3cc(Cl)cc(Cl)c3)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc(Cl)c(Cl)c3)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccccc3Cl)ncnc21
COc1ccc2c(c1)oc1c(Nc3cccc(Cl)c3)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc(Cl)cc3)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc(Br)cc3)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc(F)cc3)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc4OCCOc4c3)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc4OCOc4c3)ncnc21
COc1ccc2c(c1)oc1c(Nc3cc(OC)c(OC)c(OC)c3)ncnc21
COc1ccc2c(c1)oc1c(Cc3cc(OC)cc(OC)c3)cccc21
COc1ccc2c(c1)oc1c(Nc3ccc(OC)c(OC)c3)ncnc21
COc1ccc(Nc2ncnc3c4ccc(OC)cc4oc23)cc1
COc1ccc2c(c1)oc1c(Nc3cccc(C)c3)ncnc21
COc1ccc2c(c1)oc1c(Nc3ccc(C)cc3)cccc21
COc1ccc2c(c1)oc1c(Nc3ccccc3)ncnc21
COc1ccc2c(c1)oc1c(N)ncnc21
CC[C@H](CO)Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r|
CC[C@@H](Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r|
CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NCC(C)(C)O)nc12
CC[C@H](CO)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(N)CC3)nc12 |(21.22,-29.22,;22.26,-28.08,;23.76,-28.41,;21.78,-26.61,;22.69,-25.37,;21.78,-24.12,;20.31,-24.6,;18.98,-23.83,;18.96,-22.29,;20.3,-21.52,;20.29,-19.99,;21.61,-19.22,;21.59,-17.7,;22.92,-16.92,;20.27,-16.94,;18.94,-17.71,;18.95,-19.25,;17.63,-20.03,;17.65,-24.6,;17.65,-26.15,;16.3,-26.92,;16.3,-28.46,;14.96,-29.23,;14.95,-30.77,;16.29,-31.56,;16.28,-33.09,;17.63,-30.79,;17.64,-29.24,;18.98,-26.92,;20.31,-26.15,)|
CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(O)CC3)nc12 |(10.04,-28.94,;11.08,-27.8,;12.58,-28.12,;10.6,-26.33,;11.51,-25.08,;10.6,-23.83,;9.13,-24.32,;7.79,-23.55,;7.78,-22.01,;9.12,-21.24,;9.11,-19.71,;10.43,-18.94,;10.41,-17.41,;11.74,-16.64,;9.08,-16.65,;7.76,-17.42,;7.77,-18.96,;6.45,-19.75,;6.47,-24.32,;6.47,-25.86,;5.12,-26.63,;5.12,-28.18,;3.78,-28.95,;3.77,-30.49,;5.11,-31.27,;5.1,-32.81,;6.45,-30.5,;6.46,-28.95,;7.79,-26.63,;9.13,-25.86,)|
CC(C)CNc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCC(C)(C)O)nc12
CC(C)[C@H](Nc1nc(NCc2ccccc2N)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC(C)n1cnc2c(NCc3ccccc3N)nc(NCCC(C)(C)O)nc12
CC(C)n1cnc2c(NCc3ccccc3N)nc(NCC(C)(C)O)nc12
CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3O
O=C(Nc1n[nH]c(=O)c2ccccc12)c1ccccc1
Nc1n[nH]c(=O)c2ccccc12
CC(C)C(=O)Nc1n[nH]c(=O)c2ccccc12
CC(=O)Nc1n[nH]c(=O)c2ccccc12
O=C(Cc1ccccc1)Nc1n[nH]c(=O)c2ccccc12
CCCCCC(=O)Nc1n[nH]c(=O)c2ccccc12
CC(C)C(=O)N(C(=O)C(C)C)c1n[nH]c(=O)c2ccccc12
CC(=O)N(C(C)=O)c1n[nH]c(=O)c2ccccc12
Clc1nnc(NC(=O)Cc2ccccc2)c2ccccc12
Clc1nnc(N(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)c2ccccc12
CCCCCC(=O)N(C(=O)CCCCC)c1nnc(Cl)c2ccccc12
O=C(Nc1cc(-c2ccccc2)c(=O)[nH]n1)c1ccccc1
Clc1nnc(NC(=O)c2ccccc2)cc1-c1ccccc1
Nc1cc(-c2ccccc2)c(=O)[nH]n1
CC(=O)Nc1cc(-c2ccccc2)c(=O)[nH]n1
Nc1n[nH]c(=O)cc1-c1ccccc1
CC(=O)Nc1n[nH]c(=O)cc1-c1ccccc1
CN1CCC(CC1)Nc1n[nH]c(=O)c2ccccc12
O=c1[nH]nc(NCCN2CCCCC2)c2ccccc12
CCCNc1n[nH]c(=O)c2ccccc12
O=c1[nH]nc(NCc2ccccc2)c2ccccc12
CN1CCC(CC1)Nc1cc(-c2ccccc2)c(=O)[nH]n1
O=c1cc(c(NCCN2CCCCC2)n[nH]1)-c1ccccc1
O=c1[nH]nc(NCCN2CCCCC2)cc1-c1ccccc1
CCCNc1n[nH]c(=O)cc1-c1ccccc1
CCCNc1cc(-c2ccccc2)c(=O)[nH]n1
O=c1cc(c(NCc2ccccc2)n[nH]1)-c1ccccc1
O=c1[nH]nc(NCc2ccccc2)cc1-c1ccccc1
CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
c1ccc(c(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)[N+](=O)[O-]
NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)|
OC[C@H]1O[C@@H](Oc2cc(O)cc3OC(O)(Cc4ccc(O)cc4)C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](Oc2cc3O\C(=C/c4ccc(O)c(O)c4)C(=O)c3c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Oc1cc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c(O)c1
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(5.18,-39.53,;3.84,-40.3,;3.85,-41.86,;2.51,-42.63,;1.18,-41.86,;1.18,-40.31,;2.51,-39.54,;-.15,-42.62,;-.15,-44.15,;-1.48,-44.92,;-1.48,-46.46,;-2.8,-44.15,;-4.14,-44.93,;-4.14,-46.48,;-5.47,-44.16,;-5.47,-42.62,;-6.8,-41.84,;-4.13,-41.86,;-4.13,-35.97,;-5.46,-35.2,;-6.8,-35.97,;-5.46,-33.67,;-4.13,-32.9,;-4.13,-31.36,;-2.8,-33.65,;-2.79,-35.2,;-1.45,-35.97,;-.11,-35.19,;-.12,-33.64,;-1.46,-32.87,;-1.46,-31.33,;1.21,-35.96,;1.22,-37.5,;2.55,-38.27,;3.88,-37.5,;5.22,-38.27,;3.88,-35.96,;2.55,-35.19,;-2.8,-42.62,;-1.48,-41.85,)|
OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
COc1cc(C)c(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21 |(16.62,-7.37,;16.15,-8.84,;17.19,-9.98,;18.7,-9.65,;19.73,-10.79,;20.82,-9.69,;19.26,-12.26,;17.76,-12.59,;16.72,-11.45,;15.22,-11.78,;20.29,-13.4,;21.81,-13.23,;22.44,-14.64,;21.3,-15.66,;21.32,-17.21,;19.98,-17.98,;18.65,-17.22,;17.32,-17.99,;15.98,-17.22,;14.65,-17.99,;15.98,-15.68,;14.65,-14.91,;14.65,-13.37,;17.31,-14.91,;18.65,-15.67,;19.97,-14.9,;23.96,-14.8,;24.58,-16.21,;24.87,-13.56,;24.25,-12.15,;25.16,-10.91,;24.53,-9.49,;25.44,-8.25,;22.99,-9.33,;22.36,-7.93,;23.26,-6.68,;22.08,-10.58,;22.71,-11.99,)|
COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21
Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N
CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1
NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
NCCOCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:21.21,t:18|
NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15|
NCCOCCOCCO
O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
C1Oc2ccc(Nc3ncnc4c3oc3cc(cnc43)-c3ccc4OCOc4c3)cc2O1
Fc1ccc(Nc2ncnc3c4ncc(cc4oc23)-c2ccc3OCOc3c2)cc1Cl
Clc1ccc(Nc2ncnc3c2oc2cc(cnc32)-c2ccc3OCOc3c2)cc1
Clc1ccc(Nc2ncnc3c2oc2cc(cnc32)-c2ccc3OCOc3c2)cc1Cl
COc1cc(Nc2ncnc3c4ncc(cc4oc23)-c2ccc3OCOc3c2)cc(OC)c1OC
COc1ccc(Nc2ncnc3c4ncc(cc4oc23)-c2ccc3OCOc3c2)cc1OC
COc1ccc(Nc2ncnc3c4ncc(cc4oc23)-c2ccc3OCOc3c2)cc1
Cc1ccc(Nc2ncnc3c2oc2cc(cnc32)-c2ccc3OCOc3c2)cc1
C1Oc2ccc(cc2O1)-c1cnc2c(c1)oc1c(Nc3ccccc3)ncnc21
Nc1ncnc2c1oc1cc(cnc21)-c1ccc2OCOc2c1
Nc1ncnc2c1oc1cc(cnc21)-c1ccc(Cl)cc1Cl
Nc1ncnc2c1oc1cc(cnc21)-c1ccc(Cl)c(Cl)c1
Nc1ncnc2c1oc1cc(cnc21)-c1cccc(Cl)c1
COc1ccc(cc1)-c1cnc2c(c1)oc1c(N)ncnc21
Cc1ccc(cc1)-c1cnc2c(c1)oc1c(N)ncnc21
Nc1ncnc2c3ncc(cc3oc12)-c1ccccc1
Fc1cc(Br)ccc1Nc1ncnc2c1oc1cccnc21
Fc1ccc(Nc2ncnc3c2oc2cccnc32)cc1Cl
N(c1ccc2OC=COc2c1)c1ncnc2c1oc1cccnc21 |c:6|
C1Oc2ccc(Nc3ncnc4c3oc3cccnc43)cc2O1
COc1cc(Nc2ncnc3c2oc2cccnc32)cc(OC)c1OC
COc1cc(Nc2ncnc3c2oc2cccnc32)cc(OC)c1
COc1ccc(Nc2ncnc3c2oc2cccnc32)cc1OC
COc1ccc(Nc2ncnc3c2oc2cccnc32)cc1
N(c1ccccc1)c1ncnc2c3ncccc3oc12
Nc1ncnc2c3ncccc3oc12
COc1cc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2cc1OC
COc1cc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2cc1OC
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
COc1cc2ncnc(Nc3ccc(NC(C)=O)cc3)c2cc1OC
COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC
COc1cc2ncnc(Nc3ccc(cc3)C(C)=O)c2cc1OC
COc1cc2ncnc(Nc3ccc(C)c(C)c3)c2cc1OC
COc1cc2ncnc(Nc3cccc(c3)C(F)(F)F)c2cc1OC
COc1cc2ncnc(Nc3ccccc3)c2cc1OC
CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCCCC3N)nc12
CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCC(N)CC3)nc12 |(32.15,-14.56,;33.17,-13.41,;34.68,-13.72,;32.68,-11.95,;33.59,-10.69,;32.67,-9.44,;31.2,-9.93,;29.86,-9.16,;29.86,-7.62,;31.19,-6.85,;31.18,-5.31,;32.52,-4.54,;32.52,-3,;31.18,-2.24,;29.84,-3.02,;29.85,-4.55,;28.53,-9.93,;28.53,-11.48,;27.2,-12.25,;25.86,-11.47,;25.86,-9.93,;24.54,-9.16,;23.2,-9.93,;21.87,-9.15,;23.2,-11.47,;24.53,-12.25,;29.87,-12.25,;31.21,-11.48,)|
ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:4|
ON1C(=O)C(=C(C1=O)c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:4|
CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:6|
CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:5|
ON1C(=O)C2=C(C1=O)c1cn(CCCCCCn3cc2c2ccccc32)c2ccccc12 |c:4|
CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C(C)C)c3ccccc23)c2ccccc12 |t:5|
CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:6|
Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC#N)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4|
O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:5|
ON1C(=O)C(=C(C1=O)c1c[nH]c2ncccc12)c1c[nH]c2ccccc12 |c:4|
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(30.42,-38.05,;31.76,-37.28,;33.09,-38.05,;34.43,-37.28,;35.76,-38.05,;37.09,-37.28,;38.42,-38.05,;39.76,-37.28,;39.76,-35.74,;38.42,-34.97,;37.09,-35.74,;41.09,-34.97,;42.43,-35.74,;43.76,-34.97,;45.09,-35.74,;46.42,-34.97,;46.59,-33.43,;48.1,-33.12,;48.87,-34.45,;50.4,-34.45,;51.18,-35.78,;52.72,-35.77,;53.48,-37.11,;55.02,-37.11,;55.79,-35.77,;55.02,-34.44,;53.47,-34.43,;51.94,-37.1,;51.16,-38.43,;47.83,-35.59,;45.09,-37.28,;46.42,-38.05,;43.76,-38.05,;42.43,-37.28,)|
CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r|
CC(C)c1cnn2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:28.30,wD:25.26,(51.12,-22.52,;52.63,-22.18,;53.65,-23.33,;53.1,-20.71,;52.18,-19.48,;53.09,-18.23,;54.56,-18.7,;55.89,-17.92,;55.89,-16.38,;54.55,-15.61,;54.55,-14.07,;55.88,-13.31,;55.88,-11.77,;54.54,-10.99,;53.2,-11.78,;53.21,-13.32,;54.53,-9.46,;55.87,-8.69,;55.86,-7.15,;54.52,-6.38,;53.18,-7.17,;53.2,-8.71,;57.23,-18.68,;57.24,-20.23,;58.57,-21.01,;59.9,-20.23,;61.23,-21.01,;62.56,-20.24,;62.56,-18.7,;63.9,-17.93,;61.23,-17.93,;59.89,-18.69,;55.9,-21.01,;54.56,-20.24,)|
Brc1ccc(cc1)-c1n[nH]c2c1nc[nH]c2=O
Brc1ccc(cc1)C1=NNC(=O)C(=O)\C1=N/Nc1ccccc1 |t:8|
CCOc1ccc(cc1-c1nc2ncccc2c(=O)[nH]1)S(=O)(=O)N1CCOCC1
O=c1[nH]cnc2c(n[nH]c12)-c1ccccc1
CCOC(=O)c1[nH]nc(c1\N=N\c1ccccc1)-c1ccc(Cl)cc1
CCOC(=O)c1[nH]nc(c1\N=N\c1ccccc1)-c1ccc(F)cc1
O=C1NN=C(\C(=N\Nc2ccccc2)C1=O)c1ccccc1 |c:3|
CCOc1ccc(cc1-c1nc2ncccc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC1)c1ccccc1
CCOC(=O)c1[nH]nc(c1N)-c1ccc(Cl)cc1
CCOC(=O)c1[nH]nc(c1N)-c1ccc(Br)cc1
CCOC(=O)C(=O)C(=N/Nc1ccccc1)\C(=O)c1ccc(Cl)cc1
CCOC(=O)C(=O)C(=N/Nc1ccccc1)\C(=O)c1ccccc1
BrC1=C(OCC(=O)NCc2ccccc2)C(=O)OC1c1ccccc1 |c:1|
COc1ccc(cc1)-c1nn(cc1C1OC(=O)C(O)=C1Br)-c1ccccc1 |c:20|
COc1ccc(cc1)-c1nn(cc1\C=C\C(=O)C(O)=O)-c1ccccc1
OC(=O)C(\Br)=C\c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1
Cl\C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]c1=O
OC1=C(Br)C(OC1=O)c1ccccc1 |c:1|
Cc1nn(c(C)c1\C=C(/Br)C(O)=O)-c1ccccc1
OC(=O)C(\Br)=C\c1ccc(Cl)cc1
I\C(=C/c1ccccc1)c1nc2ccccc2[nH]c1=O
COc1ccc(cc1OC)C1OC(=O)C(O)=C1I |c:16|
OC1=C(I)C(OC1=O)c1ccc(Cl)cc1 |c:1|
OC1=C(I)C(OC1=O)c1ccccc1 |c:1|
OC1=C(Br)C(OC1=O)c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1 |c:1|
OC1=C(Br)C(OC1=O)c1cn(nc1-c1ccccc1)-c1ccccc1 |c:1|
OC1=C(Br)C(OC1=O)c1ccc(Cl)cc1 |c:1|
OC(=O)C(=O)\C=C\c1cn(nc1-c1ccccc1)-c1ccccc1
Cc1nn(c(C)c1\C=C(/I)c1nc2ccccc2[nH]c1=O)-c1ccccc1
Cc1nn(c(C)c1C1OC(=O)C(O)=C1I)-c1ccccc1 |c:13|
Cc1nn(c(C)c1C1OC(=O)C(O)=C1Cl)-c1ccccc1 |c:13|
Cc1nn(c(C)c1C1OC(=O)C(O)=C1Br)-c1ccccc1 |c:13|
Clc1ccc(\C=C(/I)c2nc3ccccc3[nH]c2=O)cc1
OC(=O)C(=O)\C=C\c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1
CC(C)C[C@@H](O)Nc1nc(Nc2ccc(cc2)-c2cncnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)CC[C@H](O)Nc1nc(Nc2cccc(c2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
CC(C)C[C@H](O)Nc1nc(Nc2cccc(c2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
CCC[C@@H](O)Nc1nc(Nc2cccc(c2)-c2cncnc2)c2ncn(C(C)C)c2n1 |r|
CC(O)C(O)Nc1nc(Nc2cccc(c2)-c2ncccn2)c2ncn(C(C)C)c2n1
CC(C)C[C@H](O)Nc1nc(Nc2ccc(cc2)-c2cncnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(Nc3ccc(cc3)-c3cncnc3)nc(NC(O)CCO)nc12
CC(C)C(O)Nc1nc(Nc2cccc(c2)-c2cncnc2)c2ncn(C(C)C)c2n1
CCC[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
CCC[C@@H](O)Nc1nc(Nc2cccc(c2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
CCC[C@H](O)Nc1nc(Nc2ccc(cc2)-c2cncnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)C(O)Nc1nc(Nc2ccc(cc2)-c2cncnc2)c2ncn(C(C)C)c2n1
CCC[C@@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
CCC[C@@H](O)Nc1nc(Nc2ccc(cc2)-c2cncnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)C[C@@H](O)Nc1nc(Nc2cccc(c2)-c2cncnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)C[C@@H](O)Nc1nc(Nc2cccc(c2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
CC(C)CC[C@H](O)Nc1nc(Nc2ccc(cc2)-c2cncnc2)c2ncn(C(C)C)c2n1 |r|
CCC[C@H](O)Nc1nc(Nc2cccc(c2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
CC(C)C[C@@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(Nc3ccc(cc3)-c3cncnc3)nc(Cl)nc12
CC(C)n1cnc2c(Nc3cccc(c3)-c3ncccn3)nc(Cl)nc12
CC(C)n1cnc2c(Nc3cccc(c3)-c3cncnc3)nc(Cl)nc12
CC(C)C[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
CCC[C@H](O)Nc1nc(Nc2cccc(c2)-c2cncnc2)c2ncn(C(C)C)c2n1 |r|
CC(C)C(O)Nc1nc(Nc2cccc(c2)-c2ncccn2)c2ncn(C(C)C)c2n1
COc1cccc(c1)-c1nc2ccc(nn2c1-c1ccncc1)N1CCN(C)CC1
C1Oc2cccc(c2O1)-c1nc2cccnn2c1-c1ccncc1
CCOc1ccc2c(cccc2c1)-c1nc2ccc(nn2c1-c1ccncc1)N1CCN(C)CC1
CN1CCN(CC1)c1ccc2nc(c(-c3ccccc3)n2n1)-c1cccc2OCOc12
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1ccc(cc1)C(=O)N1CCOCC1
CN1CCN(CC1)c1ccc2nc(-c3ccc(s3)-c3ccccc3)c(-c3ccncc3)n2n1
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1cccc(c1)-c1cccs1
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1ccc(cc1)-c1ccccc1
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1cccc2ccccc12
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1ccc2ncsc2c1
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1cccc2OCCOc12
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1ccc2OCOc2c1
CN1CCN(CC1)c1ccc2nc(c(-c3cccnc3)n2n1)-c1cccc2OCOc12
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1cccc(c1)-c1ccsc1
COc1ccc2c(cccc2c1)-c1nc2ccc(nn2c1-c1ccncc1)N1CCN(C)CC1
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1ccc2OCCOc2c1
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1cccc(c1)-c1ccccc1
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2c1)-c1cccc2OCOc12
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1cccc(c1)C(=O)N1CCOCC1
CN1CCN(CC1)c1ccc2nc(c(-c3ccncc3)n2n1)-c1cccc2OCOc12
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
CCOC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N
CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO
CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3
c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N
COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O
COc1ccc(OC)c2c1[nH]c1ccccc1c2=S
Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O |t:9|
Brc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CCCCOc1c(c[nH]c2nncc12)C(=O)c1c(F)cc(C)cc1F
c1cc(ccc1Nc2cc(ncn2)N)S(=O)(=O)N
Nc1n[nH]c2nc3ccccc3nc12
CC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
CCNc1cc(N[C@H]2CC[C@H](O)CC2)nc(Nc2ccc3n(Cc4ccccc4)ccc3c2)n1 |r,wU:10.10,wD:7.6,(-2.06,7.78,;-2.83,6.45,;-4.37,6.45,;-5.14,5.11,;-4.37,3.78,;-5.14,2.45,;-4.37,1.11,;-5.14,-.22,;-6.68,-.22,;-7.45,-1.55,;-6.68,-2.89,;-7.45,-4.22,;-5.14,-2.89,;-4.37,-1.55,;-6.68,2.45,;-7.45,3.78,;-8.99,3.78,;-9.46,2.32,;-10.97,2,;-11.44,.53,;-10.41,-.61,;-10.57,-2.14,;-11.91,-2.91,;-13.24,-2.14,;-13.24,-.6,;-14.57,.17,;-15.91,-.6,;-15.91,-2.14,;-14.57,-2.91,;-9.17,-2.77,;-8.14,-1.63,;-8.91,-.29,;-8.43,1.17,;-6.68,5.11,)|
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(C(=O)C(=C4)C#N)C5CCCC5
CC(C)c1cnc(NC(=O)Cc2ccccc2)s1
CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r|
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
O=C(Nc1csc(n1)-c1ccncc1)Nc1cccc(OC[C@H]2CCCN2)n1 |r|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCN)nc12
CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
[H][C@@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r|
O=C(Nc1ccc(cn1)C#C)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1cc(COCc2cn(CCCc3ccccc3)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1cccc(n1)C#C)Nc1cccc2C(=O)N3CCCCC3c12
[H][C@@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)C#C)c21 |r|
O=C(Nc1cc(ccn1)C#C)Nc1cccc2C(=O)N3CCCCC3c12
C(Cn1ccnn1)Nc1c2CCCCc2nc2ccccc12
O=C(Nc1cc(COCc2cn(CCNc3ccncc3)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
Cn1cc(COCc2ccnc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)c2)nn1
CN(CC#C)Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
c1ccc2c(c1)c(c3c(n2)CCCC3)N
O=C(Nc1cccc(n1)-c1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Nc1cccc2C(=O)N3CCCCC3c12
[H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)-c3cn(CCNc4c5CCCCc5nc5ccccc45)nn3)c21 |r|
O=C(Nc1cc(ccn1)-c1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Nc1cccc2C(=O)N3CCCCC3c12
CN(Cc1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
O=C(Nc1cc(COCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1cc(CCC#C)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
[H][C@]12CCCCN1C(=O)c1cccc(NC(=O)Nc3cc(ccn3)C#C)c21 |r|
O=C(Nc1cc(COCc2cn(CCNc3ccnc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1cc(COCC#C)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1ccc(cn1)-c1cn(CCNc2c3CCCCc3nc3ccccc23)nn1)Nc1cccc2C(=O)N3CCCCC3c12
O=C(Nc1cc(CCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
COc1ccc(Nc2ncc3CCCc3n2)cc1
CCc1cccc(Nc2ncc3CCCCc3n2)c1
NS(=O)(=O)c1cccc(Nc2ncc3CCCCc3n2)c1
COc1cccc(Nc2ncc3CCCCc3n2)c1
[O-][N+](=O)c1cccc(Nc2ncc3CCCCc3n2)c1
Cc1ccc(Nc2ncc3CCCCc3n2)cc1
C1CCc2nc(Nc3ccccc3)ncc2C1
O=C(Nc1cccc(CN2CCCC2)c1)c1n[nH]c2ccccc12
Cc1cccc(Nc2ncc3CCCCc3n2)c1
Cc1ccccc1Nc1ncc2CCCCc2n1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@H]3C[C@@H]4CC[C@H]3C4)N)[N+](=O)[O-]
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1 |c:4|
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc(c[nH]2)-c2ccccc2)cc1 |c:4|
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1 |c:4|
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1Cl |c:4|
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1Cl |c:4|
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)ncc1F
CCCCNc1nc2ccc(cc2[nH]1)[N+]([O-])=O
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccncc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1cccnc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1cncnc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1cnc(N)nc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2[nH]ncc2c1
CN(C)c1nccn2c(-c3cnn(C)c3)c(nc12)-c1ccc(F)cc1
CSc1nccc(n1)-c1c(nc2c(Cl)nccn12)-c1ccccc1
CSc1nccc(n1)-c1c(nc2c(nccn12)N(C)C)-c1ccccc1
CN(C)c1nccn2c(c(nc12)-c1ccccc1)-c1ccnc(N)n1
CSc1nccc(n1)-c1c(nc2c(Cl)nccn12)-c1ccc(F)cc1
CSc1nccc(n1)-c1c(nc2c(nccn12)N(C)C)-c1ccc(F)cc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccnc(N)n1
CSc1nccc(n1)-c1c(nc2c(N)nccn12)-c1ccc(F)cc1
Nc1nccc(n1)-c1c(nc2c(N)nccn12)-c1ccc(F)cc1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1
CCOC(=O)c1cccc(Nc2cc3nc(SC4CCNCC4)ccc3cn2)c1
CN1CCC(CC1)N(CC(O)=O)c1ccc2cnc(Nc3cccc(c3)S(N)(=O)=O)cc2n1
CN1CCC(CC1)C(=O)c1ccc2cnc(Nc3ccc(cc3F)-n3cccn3)cc2n1
CN1CCC(CC1)S(=O)(=O)c1ccc2cnc(Nc3ccc(cc3)N3CCCS3(=O)=O)cc2n1
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3)S(C)(=O)=O)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cccc(c3)C(N)=O)cc2n1 |r|
OCc1ccn(n1)-c1ccc(Nc2cc3nc(OC4CCNCC4)ccc3cn2)c(F)c1
OCc1ccn(n1)-c1ccc(Nc2cc3nc(NC4CCNCC4)ccc3cn2)c(F)c1
OCc1ccn(n1)-c1ccc(Nc2cc3nc(CC4CCNCC4)ccc3cn2)c(F)c1
OCc1ccn(n1)-c1ccc(Nc2cc3nc(ccc3cn2)N(CC(O)=O)C2CCNCC2)c(F)c1
C[C@@](O)(C1CCNCC1)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
CN1CCC(CC1)Oc1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1
CN1CCC(CC1)N(CC(O)=O)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
C[C@@H](C1CCN(C)CC1)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
CN1CCC(CC1)[C@@H](O)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccccc3)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccccc3F)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-n3cccn3)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)S(C)(=O)=O)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-c3cccc(c3)C#N)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-c3cccn(C)c3=O)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cccc(c3)N3CCOCC3)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)N3CCOCC3)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)N3CCN(CC3)C(C)=O)cc2n1 |r|
CCc1ccc(F)c(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)C(F)(F)F)cc2n1 |r|
CC(C)Oc1ccc(F)c(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)N3CCOCC3)cc2n1 |r|
C[C@](c1ccc2cnc(cc2n1)Nc3cc(c(cc3F)C#N)N4CCOCC4)(C5CCN(CC5)C)O
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(N4CCOCC4)c(cc3F)C#C)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)C#N)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)N3CCCC3)cc2n1 |r|
CC(C)Nc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(OC4CCC4)ncc3F)cc2n1 |r|
CCc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
CC(C)c1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)C(F)(F)F)cc2n1 |r|
CC(C)c1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cc1C#N |r|
CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cc1C#N |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(c(cc3F)C#N)C(F)(F)F)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(N4CC5CCC(C4)O5)c(cc3F)C#N)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)C(N)=O)cc2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Nc1nccc(n1)-c1ccc(O)c(n1)-c1ccnc(N)n1
c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2
OS(=O)(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1
CN1C(=O)\C(=C2/Nc3ccccc3/C/2=N\O)c2ccccc12
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2c1cccc2Br
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2nccc(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c2Cl)ncc1F |r|
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1