372 SMILES Strings for NADPH oxidase 1

Compound Name
SMILES String
CC(Oc3ccc(C(=O)Nc2nnc(c1ccncc1)s2)cc3OCC4CCNCC4)c5ccccc5
COc1cc(ccc1O[C@@H](CO)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
COc1cc(ccc1O[C@@H](CCN1CCCC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
COc1cc(ccc1O[C@@H](CN1CCCC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
COc1cc(ccc1OCc1nccn1C)C(=O)Nc1nnc(s1)-c1ccncc1
COCCNc1cc(cnc1O[C@@H](C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
CN1CCN(CC1)c1cc(cnc1OCc1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
CC(C)(O)[C@H](Oc1ncc(cc1Cl)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
CC(Cc1ccccc1)Oc1ccc(cn1)C(=O)Nc1nnc(s1)-c1ccncc1
C[C@H](Oc1ncc(cc1OCC1CCOCC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
O=C(Nc1nnc(s1)-c1ccncc1)c1ccc(O[C@@H](CN2CCOCC2)c2ccccc2)nc1 |r|
COc1cc(ccc1ON1Cc2ccccc2C1)C(=O)Nc1nnc(s1)-c1ccncc1
C[C@H](Oc1ccc(C(=O)Nc2nnc(s2)-c2ccncc2)c(C)n1)c1ccccc1 |r|
Cc1nc(OCc2ccccc2)ccc1C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(cnc1O[C@@H](C)c1ccccn1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
C[C@H](Oc1ncc(cc1NCCN(C)C)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
C[C@H](Oc1ncc(cc1NCC1CCOCC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
C[C@H](Oc1ncc(cc1NCC1CCN(C)CC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
C[C@H](Oc1ncc(cc1NCCCN(C)C)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
C[C@H](Oc1ncc(cc1NCCO)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
C[C@H](Oc1ncc(cc1NCc1cn(C)cn1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
C[C@H](Oc1ncc(cc1NC1CCN(C)CC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
C[C@H](Oc1ncc(cc1NCCN1CCOCC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
C[C@H](Oc1ncc(cc1N1CCN(C)CC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
CNc1cc(cnc1O[C@@H](CCN(C)C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
COc3cc(C(=O)Nc2nnc(c1ccncc1)s2)ccc3O[C@@H]5CCc4ccccc45
COc3cc(C(=O)Nc2nnc(c1ccncc1)s2)ccc3OC5CCCc4ccccc45
COc3cc(C(=O)Nc2nnc(c1ccncc1)s2)ccc3OCc4cscn4
CC(Oc1ccc(cc1OCCN(C)C)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
COCCOc1cc(ccc1OC(C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(ccc1OCc1cccnc1C)C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(ccc1OCc1ccc(C)cn1)C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(ccc1OCc1cc(C)on1)C(=O)Nc1nnc(s1)-c1ccncc1
COc1ccc(COc2ccc(cc2OC)C(=O)Nc2nnc(s2)-c2ccncc2)cc1
COc1cc(ccc1OCc1ccccc1F)C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(ccc1OCc1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(ccc1OCc1cc(on1)C1CC1)C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(ccc1O[C@@H](C)c1ccccn1)C(=O)Nc1nnc(s1)-c1ccncn1 |r|
COc1cc(ccc1O[C@@H](C)c1ccccn1)C(=O)Nc1nnc(s1)-c1ccncc1F |r|
COc1cc(ccc1O[C@@H](CO)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1F |r|
COc1cc(ccc1O[C@@H](CN(C)C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1F |r|
OC[C@H](Oc1ncc(cc1Cl)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
COc1cc(ccc1OCc1ccccc1)C(=O)Nc1nnc(s1)-c1ccncn1
COc1cc(cnc1O[C@@H](CN(C)C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncn1 |r|
COc1cc(ccc1O[C@@H](CN(C)C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccnc(C)c1 |r|
COc1cc(ccc1O[C@@H](C)Cc1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
COc1cc(ccc1CN(C)c1ccccn1)C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(ccc1Cn1ccc2ccccc12)C(=O)Nc1nnc(s1)-c1ccncc1
CCC(Oc1ccc(cn1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
O=C(Nc1nnc(s1)-c1ccncc1)c1ccc(OC2CCc3ccccc23)nc1
C[C@H](Nc1ccc(cn1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
COc1cc(ccc1OC1CCc2ncccc12)C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(ccc1OC1COc2ccccc12)C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(ccc1OC(C1CC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(ccc1O[C@@H](C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncn1 |r|
COc1cc(ccc1OC1Cc2ccccc2C1)C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(ccc1OCCc1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
COc1cc(ccc1OCc1ccn(C)n1)C(=O)Nc1nnc(s1)-c1ccncc1
Fc1cc(OCc2ccccc2)ccc1C(=O)Nc1nnc(s1)-c1ccncc1
CN(C)C(=O)[C@H](Cc1ccccc1)Oc1ccc(cn1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
C[C@H](COc1ccc(cn1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
COc1ccc(CCCOc2ccc(cn2)C(=O)Nc2nnc(s2)-c2ccncc2)cc1
Cc1cc(cnc1O[C@@H](CN1CCOCC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
COCC(Oc1ccc(cc1OC)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
COc1cc(ccc1O[C@H](CN1CCOCC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
FC1(F)CCN(C[C@H](Oc2ccc(cn2)C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2)C1 |r|
COc1cc(ccc1O[C@@H](CO)c1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
COc1cc(ccc1O[C@@H](CN(C)C)c1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
COc1cc(ccc1O[C@H](CO)c1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
COc1cc(ccc1O[C@H](CN(C)C)c1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1 |r|
COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1
Cc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
Cc1ccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccc(Cl)cc3)n2)cc1C
Cc1ccc(cc1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
COc1cc(ccc1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Clc1c(sc2ccccc12)C(=O)Oc1ccccc1N1CCCCC1
CN(C)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
N1c2ccccc2Nc2nc3ccccc3nc12
FC(F)(F)c1ccc2Sc3ccccc3Nc2c1
Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(F)cc1
COc1ccc2Nc3ccccc3Sc2c1
CCN(CC)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=O)cc1
CCOc1ccc(NC(=O)Nc2ccc(cc2)N(C)C(C)=O)cc1
COc1ccc(NC(=O)Nc2ccc(cc2)N(C)C)cc1
CN(C)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1
COc1ccc2Nc3ccccc3S(=O)(=O)c2c1
O=S1(=O)c2ccccc2Nc2ccccc12
CCN(CC)c1ccc(NC(=O)Nc2ccccc2)cc1
CN(C(C)=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
CCOC(=O)Nc1ccc2Sc3ccccc3Nc2c1
CC(=O)c1ccc2Sc3ccccc3Nc2c1
CN(C)c1ccc(NC(=O)Nc2ccc3snnc3c2)cc1
CN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
CCN(CC)c1ccc(NC(=O)Nc2cccc(c2)C(C)=O)cc1
CN1c2ccccc2Sc2ccc(cc12)C(C)=O
CCN(CC)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1
N1c2ccccc2Sc2ccccc12
CC(N=Nc1ccc(cc1)C(O)=O)c1ccc2Sc3ccccc3Nc2c1 |w:2.1|
CN1c2ccccc2Sc2cc(N)ccc12
CC(=O)N1c2ccccc2Sc2ccccc12
O=S1c2ccccc2Nc2ccccc12
CC(=O)N1c2ccccc2S(=O)(=O)c2ccccc12
O=C(N1c2ccccc2Sc2ccccc12)c1ccco1
CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)C=C)c2c1
CC(=NNC(=O)c1ccc(O)cc1)c1ccc2Sc3ccccc3Nc2c1 |w:2.2|
FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4o3)c2c1
FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)\C=C\c3ccccc3)c2c1
CC(N=Nc1cccc(c1)C(O)=O)c1ccc2Sc3ccccc3Nc2c1 |w:2.1|
Cc1ccc2Nc3ccc4ccccc4c3Sc2c1
N1c2ccccc2Sc2cc3ccccc3cc12
COC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCCl)c2c1
CCN1c2ccccc2S(=O)(=O)c2ccccc12
CC(=O)c1ccc2Sc3ccccc3N(C(=O)Nc3ccccc3)c2c1
ClCCN1c2ccccc2Sc2ccc(Cl)cc12
Fc1cccc(F)c1NC(=O)N1c2ccccc2Sc2ccccc12
O=C(c1ccccc1)c1ccccc1N1c2ccccc2Sc2ccccc12
CN1c2ccc(Br)cc2Sc2cc(Br)ccc12
CN1c2ccccc2Sc2cc(Br)ccc12
C[n+]1c2ccc(cc2sc2c\c(ccc12)=N\N=[N-])N=[N+]=[N-]
C[n+]1c2ccccc2sc2c\c(ccc12)=N\N=[N-]
CN1c2ccccc2Sc2cc(NC(=O)c3ccc(cc3)N=[N+]=[N-])ccc12
CN1c2ccccc2Sc2cc(NC(=O)c3ccc(cc3)C(=O)c3ccccc3)ccc12
CN1c2ccccc2Sc2cc(NC(=O)CCl)ccc12
CN1c2ccccc2Sc2cc(NC(=O)C=C)ccc12
CN1c2ccccc2Sc2cc(ccc12)C(=O)c1ccccc1
CN1c2ccc(Br)cc2Sc2cc(ccc12)C(=O)c1ccccc1
CN1c2ccccc2Sc2cc(ccc12)C(=O)c1ccc(cc1)N=[N+]=[N-]
CN1c2ccc(Br)cc2Sc2cc(ccc12)C(=O)c1ccc(cc1)N=[N+]=[N-]
CN1c2ccc(N)cc2Sc2cc(ccc12)C(=O)c1ccccc1
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
COc1ccc(CN=Nc2c(Cl)cncc2Cl)c(OC)c1OC |w:7.6|
Clc1cncc(Cl)c1N=NCc1ccncc1 |w:8.8|
O=C(CCC(=O)Nc1ccccc1)Nc1ccccc1
COc1cc(ccc1NC(=O)Nc1ccc(Oc2ccccc2)cc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
O=C(Nc1nc(cs1)-c1ccccc1)Nc1ccccc1
COc1ccc(cc1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
[O-][N+](=O)c1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
COc1cccc(c1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Fc1ccc(NC(=O)CCC(=O)Nc2ccc(F)cc2)cc1
COc1ccccc1OC(=O)c1sc2ccccc2c1Cl
[O-][N+](=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Clc1ccc2Sc3ccccc3Nc2c1
Clc1c(sc2ccccc12)C(=O)Oc1cccc(c1)-n1cnnn1
Cc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
O=C(Cc1ccccc1)NNC(=O)Cc1ccccc1
Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
COc1ccc(cc1OC)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
OC(=O)c1sc2ccccc2c1Cl
[O-][N+](=O)c1ccc2Nc3cc(ccc3Sc2c1)C(F)(F)F
Clc1ccc(NC(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1
CSc1ccc(NC(=O)Nc2ccc(cc2)N(C)C)cc1
COc1ccc2Nc3cc(Cl)ccc3Sc2c1
c1ccc(cc1)-c1nc(c(o1)-c1ccccc1)-c1ccccc1
CCN(CC)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
Clc1cccc(Cl)c1NNC(=O)c1ccccc1
O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(cc1)N1CCCCC1
Oc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
[O-][N+](=O)c1cccc([CH-]\N=[NH+]\c2c(Cl)cncc2Cl)c1
Clc1cccc(Cl)c1CN=Nc1c(Cl)cncc1Cl |w:10.11|
Clc1cncc(Cl)c1N=NCc1ccccc1 |w:8.8|
Cc1ccc(cc1)S(=O)(=O)c1ccc2Nc3cc(Cl)ccc3Sc2c1
COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1ccc(O)cc1
C(N=Nc1ccccc1)c1ccccc1 |w:2.2|
Clc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
COc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
COc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
FC(F)(F)c1ccc2c(Nc3ccccc3S2=O)c1
COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1ccc(OC)c(OC)c1
CC(=O)Nc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
CN(C)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Cc1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
[O-][N+](=O)c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1
[O-][N+](=O)c1cccc(c1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
CC(=O)Nc1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl
CC(=O)Nc1ccccc1OC(=O)c1sc2ccccc2c1Cl
Clc1c(sc2ccccc12)C(=O)Oc1cccc2ccccc12
[O-][N+](=O)c1ccccc1OC(=O)c1sc2ccccc2c1Cl
[O-][N+](=O)c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1
Fc1ccc(NC(=S)NNC(=S)Nc2ccccc2)cc1
c1coc(c1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
[O-][N+](=O)c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Clc1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Clc1c(sc2ccccc12)C(=O)Oc1ccc(Cl)cc1
Oc1c(Br)cc(CN=Nc2c(Cl)cncc2Cl)cc1Br |w:8.8|
COc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1
Clc1c(sc2ccccc12)C(=O)Oc1ccccc1
COc1ccc2c(Cl)c(sc2c1)C(=O)Oc1ccccc1[N+]([O-])=O
COc1ccc2c(Cl)c(sc2c1)C(=O)Oc1ccccc1Cl
CC(=O)Nc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1 |w:10.10|
COc1cc(CN=Nc2c(Cl)c(Cl)nc(C(O)=O)c2Cl)cc(OC)c1OC |w:7.7|
OC(=O)c1nc(Cl)c(Cl)c(\[NH+]=N\[CH-]c2ccc(N3CCOCC3)c(c2)[N+]([O-])=O)c1Cl
Ic1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
c1ccc(cc1)-c1nnc(s1)-c1ccccc1
c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccccn1
O=C1N=c2ccccc2=C1NNC(=S)Nc1ccccc1 |c:9,t:2|
CC(N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl)c1ccc(O)cc1 |w:3.3|
CC(N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl)c1ccc2OCCOc2c1 |w:2.1|
Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Oc1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Fc1ccccc1OC(=O)c1sc2ccccc2c1Cl
Clc1c(sc2ccccc12)C(=O)Oc1ccc(cc1)-c1nnco1
CC(N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl)c1ccc(cc1)N1CCOCC1 |w:2.1|
[O-][N+](=O)c1ccc(OC(=O)c2cc3ccccc3s2)cc1
COc1ccccc1OC(=O)c1cc2ccccc2s1
OC(=O)c1nc(Cl)c(Cl)c(N=NCc2ccccc2)c1Cl |w:10.9|
COc1ccc2Sc3ccccc3Nc2c1
COc1ccc(NC(=O)Nc2ccc3N(CCc3c2)C(C)=O)cc1
CSc1ccc2Sc3ccccc3Nc2c1
Fc1ccc2Nc3ccccc3Sc2c1
ClC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 |w:3.3|
Fc1cccc(OC(=O)c2sc3ccccc3c2Cl)c1
COc1cccc(OC(=O)c2sc3ccccc3c2Cl)c1
CC(O)c1ccc2Sc3ccccc3Nc2c1
[O-][N+](=O)c1cc(O[N-][CH+]c2ccccc2)cc(c1)[N+]([O-])=O
CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccncc1 |w:3.3|
COc1cc(ccc1O)-c1nc2c([nH]1)c1ccccc1c1ccccc21
FC(F)(F)Oc1ccc(CN=Nc2c(Cl)cncc2Cl)cc1 |w:11.11|
COc1ccc(NC(=O)Nc2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)cc1
Fc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
CN(C)CCCN1c2ccccc2Sc3c1cccc3
Clc1ccc(NC(=S)CCC(=S)Nc2ccc(Cl)cc2)cc1
S=C(NNC(=S)Nc1ccccc1)Nc1ccccc1
COc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1 |w:8.8|
[O-][N+](=O)c1ccc([CH-]\N=[NH+]\c2c(Cl)cc(Cl)cc2Cl)cc1
Clc1ccc(NC(=S)NNC(=S)Nc2ccccc2)cc1
COc1ccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)cc1 |w:8.8|
Fc1nc(F)c(F)c(N=NCc2ccc(Br)cc2)c1F |w:8.7|
Fc1nc(F)c(F)c(N=NCc2ccncc2)c1F |w:8.7|
COc1cc(CN=Nc2c(F)c(F)nc(F)c2F)cc(OC)c1O |w:6.5|
CN(CCO)c1ccc(CN=Nc2c(F)c(F)nc(F)c2F)cc1 |w:11.11|
CC(=O)Nc1ccc(CN=Nc2ccccc2)cc1 |w:10.10|
COc1ccc(cc1)C(C)N=Nc1c(F)c(F)nc(F)c1F |w:10.10|
[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
[O-][N+](=O)c1ccc2sc(cc2c1)C(=O)Oc1ccccc1
CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(cc1)-n1cncn1 |w:2.1|
Fc1ccc2=C(NNc3c(F)c(F)nc(F)c3F)C(=O)N=c2c1 |c:4,21|
CC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1
Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(Cl)cc1C
CCC(N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl)c1ccccc1 |w:3.2|
COc1ccc2cc(ccc2c1)C(C)N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl |w:14.15|
COc1ccc(NS(=O)(=O)Cc2ccc(N)cc2)cc1
CN(C)c1ccc(CN=Nc2c(Cl)cncc2Cl)cc1 |w:9.9|
CN1C(=[Se])N(C(=O)\C1=C/c1ccc(O)cc1O)c1ccccc1
CN(C)c1ccc(\C=C2\N(C)C(=[Se])N(C2=O)c2ccccc2)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1ccc(cc1)N1CCCC1)c1ccccc1
CN1C(=[Se])N(C(=O)\C1=C/c1cccc(O)c1)c1ccccc1
CN1C(=[Se])N(C(=O)\C1=C/c1cccnc1)c1ccccc1
CN1C(=[Se])N(C(=O)\C1=C/c1cccc(O)c1O)c1ccc(C)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1ccc(cc1)N1CCCCC1)c1ccc(C)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1ccc(Br)cc1)c1ccc(C)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1ccc(cc1)N1CCCC1)c1ccc(C)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1ccc(O)cc1)c1ccc(C)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1cccnc1)c1ccc(C)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1ccc(NCCOCCO)cc1)c1ccc(C)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1ccc(NCCN2CCOCC2)cc1)c1ccc(C)cc1
CCc1ccc(cc1)N1C(=O)\C(=C/c2ccc(O)cc2O)N(C)C1=[Se]
CCc1ccc(cc1)N1C(=O)\C(=C/c2cc(O)cc(O)c2)N(C)C1=[Se]
CCc1ccc(cc1)N1C(=[Se])N(C)\C(=C\c2ccc(cc2)N2CCCCC2)C1=O
CCc1ccc(cc1)N1C(=O)\C(=C/c2ccc(Br)cc2)N(C)C1=[Se]
CCc1ccc(cc1)N1C(=[Se])N(C)\C(=C\c2cccnc2)C1=O
CN1C(=[Se])N(C(=O)\C1=C/c1ccc(O)cc1O)c1ccc(Cl)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1cccc(O)c1O)c1ccc(Cl)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1cc(O)cc(O)c1)c1ccc(Cl)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1cccnc1)c1ccc(Cl)cc1
CN1C(=[Se])N(C(=O)\C1=C/c1cccc(O)c1O)c1cccc(Cl)c1
CN1C(=[Se])N(CCc2ccccc2)C(=O)\C1=C/c1ccc(O)cc1O
CN(C)c1ccc(\C=C2\N(C)C(=[Se])N(CCc3ccccc3)C2=O)cc1
CN1C(=[Se])N(CCc2ccccc2)C(=O)\C1=C/c1cc(O)cc(O)c1
CN1C(=[Se])N(CCc2ccccc2)C(=O)\C1=C/c1ccc(cc1)N1CCOCC1
CN1C(=[Se])N(C2CCCCC2)C(=O)\C1=C/c1ccc(O)cc1O
CN1C(=[Se])N(C2CCCCC2)C(=O)\C1=C/c1cccc(O)c1O
CN(C)c1ccc(\C=C2\N(C)C(=[Se])N(C3CCCCC3)C2=O)cc1
CN1C(=[Se])N(C2CCCCC2)C(=O)\C1=C/c1cc(O)cc(O)c1
CCCCCCN1C(=O)\C(=C/c2ccc(O)cc2O)N(C)C1=[Se]
CCCCCCN1C(=O)\C(=C/c2cccc(O)c2O)N(C)C1=[Se]
CCCCCCN1C(=[Se])N(C)\C(=C\c2ccc(cc2)N(C)C)C1=O
CCCCCCN1C(=O)\C(=C/c2cc(O)cc(O)c2)N(C)C1=[Se]
CCCCCCN1C(=[Se])N(C)\C(=C\c2ccc(cc2)N2CCOCC2)C1=O
CCCCCCN1C(=O)\C(=C/c2ccc(NCCOCCF)cc2)N(C)C1=[Se]
CN1C(=[Se])N(C2CCCC2)C(=O)\C1=C/c1ccc(O)cc1O
CN1C(=[Se])N(C2CCCC2)C(=O)\C1=C/c1cccc(O)c1O
CN(C)c1ccc(\C=C2\N(C)C(=[Se])N(C3CCCC3)C2=O)cc1
CN1C(=[Se])N(C2CCCC2)C(=O)\C1=C/c1ccc(O)c(O)c1
CN(C)c1ccc(\C=C2\N(C)C(=[Se])N(C2=O)c2ccc(F)cc2)cc1
CN1C(=[Se])N(CCCN2CCOCC2)C(=O)\C1=C/c1ccc(Cl)cc1
CN1C(=[Se])N(CCCCCCF)C(=O)\C1=C/c1cc(O)cc(O)c1
CN1C(=[Se])N(CCCCCF)C(=O)\C1=C/c1ccc(O)cc1O
CCCCCN1C(=O)\C(=C/c2ccc(O)cc2O)N(C)C1=[Se]
CCN1C(=[Se])N(C(=O)\C1=C/c1ccc(O)cc1O)c1ccccc1
CCN1C(=[Se])N(C(=O)\C1=C/c1cccc(O)c1O)c1ccccc1
CCN1C(=[Se])N(C(=O)\C1=C/c1ccc(Br)cc1)c1ccc(CC)cc1
CCN1C(=[Se])N(C(=O)\C1=C/c1ccc(cc1)N1CCCC1)c1ccc(CC)cc1
Oc1cccc(\C=C2\N(Cc3ccccc3)C(=[Se])N(C2=O)c2ccccc2)c1O
Oc1ccc(\C=C2\N(Cc3ccccc3)C(=[Se])N(C2=O)c2ccccc2)cc1O
Oc1cc(O)cc(\C=C2\N(Cc3ccccc3)C(=[Se])N(C2=O)c2ccccc2)c1
CCc1ccc(cc1)N1C(=O)\C(=C/c2ccc(O)cc2O)N(Cc2ccccc2)C1=[Se]
CCc1ccc(cc1)N1C(=O)\C(=C/c2ccc(O)c(O)c2)N(Cc2ccccc2)C1=[Se]
CCc1ccc(cc1)N1C(=O)\C(=C/c2cc(O)cc(O)c2)N(Cc2ccccc2)C1=[Se]
Oc1cccc(\C=C2\N(Cc3ccccc3)C(=[Se])N(C2=O)c2ccc(Cl)cc2)c1O
Oc1ccc(\C=C2\N(Cc3ccccc3)C(=[Se])N(C2=O)c2ccc(Cl)cc2)cc1O
Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:20:19:3.2:13.8,9:8:3.2:24.19,THB:14:13:3.2:24.19|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1c(Br)cccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:28.22,THB:14:13:3.2:28.22|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)ccc(Br)c21 |r,TLB:15:14:3.2:13.8,9:8:3.2:21.14|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccnc3ccccc13)c1c(Br)cccc21 |r,TLB:26:25:3.2:13.8,9:8:3.2:31.25,THB:14:13:3.2:31.25|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1S(=O)(=O)c1ccc(F)cc1)c1c(Br)cccc21 |r,TLB:9:8:3.2:30.24,25:24:3.2:13.8,THB:14:13:3.2:30.24|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccs1)c1c(Br)cccc21 |r,TLB:21:20:3.2:13.8,9:8:3.2:26.20,THB:14:13:3.2:26.20|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(Br)cccc21 |r,TLB:9:8:19.25:3.2,20:19:13.8:3.2,THB:14:13:19.25:3.2|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccc3OCOc3c1)c1c(Br)cccc21 |r,TLB:25:24:3.2:13.8,9:8:3.2:30.24,THB:14:13:3.2:30.24|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1ccccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:27.22,THB:14:13:3.2:27.22|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1c[nH]c3ccccc13)c1c(Br)cccc21 |r,TLB:25:24:3.2:13.8,9:8:3.2:30.24,THB:14:13:3.2:30.24|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:15:14:3.2:13.8,9:8:3.2:19.14|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cc(C)on1)c1c(Br)cccc21 |r,TLB:22:21:3.2:13.8,9:8:3.2:27.21,THB:14:13:3.2:27.21|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1ccccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:19.14|
[H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccc3OCOc3c1)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:25:24:3.2:13.8,9:8:3.2:29.24,THB:14:13:3.2:29.24|
Cc1ccc(cc1)N1CCN(CC1)c1nc(N)nc(Nc2ccc(C)c(C)c2)n1
[I+]1c2ccccc2-c2ccccc12
C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
O=c1n([se]c2ccccc12)-c1ccccc1
C(c1ccccc1)n1nnc2c(Sc3nc4ccccc4o3)ncnc12
CCCc1c(O)n(nc1-c1ccccc1)-c1ccccn1
CN(C)c1cccc(c1)-c1n(C)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
COc1ccc2C(C(Oc2c1)c1ccc(O)cc1)c1[nH]c2ccccc2c1CC(CO)NC(C)=O
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCC(O)=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(O)=O |r|
CC(C)(C)OC(=O)N1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
Clc1ccccc1-n1[nH]c2cc(=O)n3CCCNCc3c2c1=O
Clc1ccccc1-n1[nH]c2cc(=O)n3CCN(Cc4ccccc4)Cc3c2c1=O
Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Clc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
Clc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)c1
Clc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1
COc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
COc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)c1
COc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1
Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccoc4)Cc3c2c1=O
Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4cccnc4)Cc3c2c1=O
Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O
COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O
COc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3OC)c2=O)c1
Clc1ccccc1-n1[nH]c2cc(=O)n3CCOCc3c2c1=O
CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1cccc(Cl)c1
CCc1ccc(cc1)N1C(=S)N(C)\C(=C/c2ccc(cc2)N(C)C)C1=O
CCc1ccc(cc1)N1C(=O)\C(=C\c2cccc(O)c2O)N(C)C1=S
CCc1ccc(cc1)N1C(=O)\C(=C\c2ccc(O)cc2O)N(C)C1=S
CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2ccc(C)cc2)cc1
CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccc(C)cc1
CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1ccc(C)cc1
CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2ccccc2)cc1
CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccccc1
CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1ccccc1
CN(C)c1ccc(\C=C2/N(C)C(=S)N(C3CCCCC3)C2=O)cc1
CN1C(=S)N(C2CCCCC2)C(=O)\C1=C\c1cccc(O)c1O
CN1C(=S)N(C2CCCCC2)C(=O)\C1=C\c1ccc(O)cc1O
Oc1cc(nn1-c1ccccn1)-c1ccccc1
CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2ccc3CCCc3c2)cc1
CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccc2CCCc2c1
CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1ccc2CCCc2c1
CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2cccc(Cl)c2)cc1
CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1cccc(Cl)c1