2623 SMILES Strings for Aromatase

Compound Name
SMILES String
C1Cc2ccccc2\C1=C\c1cccnc1
C1Cc2ccccc2\C1=C/c1cccnc1
C1C\C(=C/c2cccnc2)c2ccccc2C1
C1C\C(=C\c2cccnc2)c2ccccc2C1
Fc1ccc2\C(CCc2c1)=C\c1cccnc1
Fc1ccc2\C(CCc2c1)=C/c1cccnc1
Clc1ccc2\C(CCc2c1)=C\c1cccnc1
Clc1ccc2\C(CCc2c1)=C/c1cccnc1
Brc1ccc2\C(CCc2c1)=C\c1cccnc1
Brc1ccc2\C(CCc2c1)=C/c1cccnc1
COc1ccc2\C(CCc2c1)=C\c1cccnc1
COc1ccc2\C(CCc2c1)=C/c1cccnc1
COc1ccc2\C(CCCc2c1)=C\c1cccnc1
COc1ccc2\C(CCCc2c1)=C/c1cccnc1
COc1ccc2CC\C(=C/c3cccnc3)c2c1
COc1cc2CCC\C(=C/c3cccnc3)c2cc1OC
CCOc1ccc2\C(CCc2c1)=C\c1cccnc1
CCOc1ccc2\C(CCc2c1)=C/c1cccnc1
C(Oc1ccc2\C(CCc2c1)=C\c1cccnc1)c1ccccc1
Cc1ccc2CC\C(=C/c3cccnc3)c2c1
Cc1ccc2CC\C(=C\c3cccnc3)c2c1
Cc1cccc2\C(CCc12)=C\c1cccnc1
Cc1cccc2\C(CCc12)=C/c1cccnc1
COc1cccc2CC\C(=C/c3cccnc3)c12
Fc1cccc2\C(CCc12)=C\c1cccnc1
Fc1cccc2\C(CCc12)=C/c1cccnc1
Clc1cccc2\C(CCc12)=C\c1cccnc1
Clc1cccc2\C(CCc12)=C/c1cccnc1
N#Cc1ccc(cc1)C1CCCc2cncn12
C1Cc2ccccc2\C1=C\c1ccncc1
C1Cc2ccccc2\C1=C/c1ccncc1
C1C\C(=C/c2ccncc2)c2ccccc2C1
Fc1ccc2\C(CCc2c1)=C\c1ccncc1
Fc1ccc2\C(CCc2c1)=C/c1ccncc1
Clc1ccc2\C(CCc2c1)=C\c1ccncc1
Clc1ccc2\C(CCc2c1)=C/c1ccncc1
Brc1ccc2\C(CCc2c1)=C\c1ccncc1
Brc1ccc2\C(CCc2c1)=C/c1ccncc1
COc1ccc2\C(CCc2c1)=C\c1ccncc1
COc1ccc2\C(CCc2c1)=C/c1ccncc1
COc1ccc2\C(CCCc2c1)=C\c1ccncc1
COc1ccc2\C(CCCc2c1)=C/c1ccncc1
COc1ccc2CC\C(=C/c3ccncc3)c2c1
COc1ccc2CC\C(=C\c3ccncc3)c2c1
COc1cc2CCC\C(=C/c3ccncc3)c2cc1OC
Cc1ccc2CC\C(=C/c3ccncc3)c2c1
Cc1ccc2CC\C(=C\c3ccncc3)c2c1
COc1ccc2\C(CCc2c1)=C\c1cncs1
COc1ccc2\C(CCc2c1)=C/c1cncs1
Fc1ccc2\C(CCc2c1)=C\c1cncnc1
Fc1ccc2\C(CCc2c1)=C/c1cncnc1
Fc1ccc2\C(CCc2c1)=C\c1cccc2ncccc12
Fc1ccc2\C(CCc2c1)=C/c1cccc2ncccc12
C(=C1c2ccccc2-c2ccccc12)c1cccnc1 |w:0.16|
C(=C(c1ccccc1)c1ccccc1)c1cccnc1 |w:0.15|
Fc1ccc2\C(CCc2c1)=C\c1cccc2cnccc12
Fc1ccc2\C(CCc2c1)=C/c1cccc2cnccc12
Fc1ccc2\C(CCc2c1)=C\c1ccnc2ccccc12
Fc1ccc2\C(CCc2c1)=C/c1ccnc2ccccc12
C(=C1c2ccccc2-c2ccccc12)c1ccncc1 |w:0.16|
C(=C(c1ccccc1)c1ccccc1)c1ccncc1 |w:0.15|
CC1C\C(=C/c2cccnc2)c2ccccc12
CC1C\C(=C\c2cccnc2)c2ccccc12
C1C(c2ccccc2\C1=C\c1cccnc1)c1ccccc1
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)c(F)c2)c1
Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)c(Cl)c2)c1
COc1cc(NC(=O)Nc2cccc(C)c2)ccc1-c1csc2ncnc(N)c12
Cc1cccc(NC(=O)Nc2ccc(cc2F)-c2csc3ncnc(N)c23)c1
Cc1cccc(NC(=O)Nc2ccc(cc2Cl)-c2csc3ncnc(N)c23)c1
COc1cc(ccc1NC(=O)Nc1cccc(C)c1)-c1csc2ncnc(N)c12
Cc1cccc(NC(=O)Nc2ccc3-c4c(CCc3c2)sc2ncnc(N)c42)c1
C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3|
C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11|
N#Cc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:10.10|
N#Cc1ccc2C(CCCc2c1)=Cc1cnc[nH]1 |w:12.14|
N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13|
Clc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:9.9|
Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
C1C(=Cc2ccccc12)c1cccnc1 |c:1|
C1Cc2ccccc2C=C1c1cccnc1 |c:9|
COc1ccc2CC(=Cc2c1)c1cccnc1 |c:7|
COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6|
CC1=C(CCc2ccccc12)c1cccnc1 |t:1|
CCC1=C(CCc2ccccc12)c1cccnc1 |t:2|
CC1Cc2ccccc2C=C1c1cccnc1 |c:10|
CC1CC(=Cc2ccccc12)c1cccnc1 |c:3|
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
c1ccc2cc(ccc2c1)-c1cccnc1
COc1ccc2cc(ccc2c1)-c1cccnc1
Oc1ccc2cc(ccc2c1)-c1cccnc1
Brc1ccc2cc(ccc2c1)-c1cccnc1
CCOc1ccc2cc(ccc2c1)-c1cccnc1
N#Cc1ccc2cc(ccc2c1)-c1cccnc1
COc1ccc2cc(ccc2c1Cl)-c1cccnc1
COc1ccc2cc(ccc2c1Br)-c1cccnc1
COc1ccc2c(Cl)c(ccc2c1Cl)-c1cccnc1
COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
COC(=O)c1ccc2cc(ccc2c1)-c1cccnc1
c1cn(cn1)-c1ccc2ccccc2c1
COc1cc2ccccc2cc1-n1ccnc1
COc1ccc2C(=O)C(CCc2c1)=Cc1cnc[nH]1 |w:13.15|
COc1ccc2C(=O)C(Cc3cnc[nH]3)CCc2c1
COc1ccc2C(C)=C(Cc3cnc[nH]3)CCc2c1 |t:7|
CC1=C(Cc2cnc[nH]2)CCc2cc(O)ccc12 |c:1|
COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1O |t:14|
CC1=C(Cc2cnc[nH]2)CCc2cc(O)c(O)cc12 |c:1|
COc1ccc2c(CCC3(Cc4cnc[nH]4)OC23C)c1
Cc1c(Cc2cnc[nH]2)ccc2cc(O)ccc12
Oc1ccc2C(=O)C(CCc2c1)=Cc1cnc[nH]1 |w:12.14|
COc1cc2CCC(=Cc3cnc[nH]3)C(=O)c2cc1OC |w:8.8|
COc1cc2CCC(=Cc3cnc[nH]3)C(=O)c2cc1O |w:8.8|
COc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1OC
COc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O
COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1OC |t:14|
Oc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O
COc1cccc(c1)-c1ccc(Cn2ccnc2)cc1
Oc1cccc(c1)-c1ccc(Cn2ccnc2)cc1
Oc1ccc(O)c(c1)-c1ccc(Cn2ccnc2)cc1
Oc1ccc(cc1O)-c1ccc(Cn2ccnc2)cc1
Oc1ccc(c(O)c1O)-c1ccc(Cn2ccnc2)cc1
Oc1cc(cc(O)c1O)-c1ccc(Cn2ccnc2)cc1
COc1ccc(OC)c(c1)-c1ccc(Cn2ccnc2)cc1
COc1ccc(cc1OC)-c1ccc(Cn2ccnc2)cc1
COc1ccc(c(OC)c1OC)-c1ccc(Cn2ccnc2)cc1
COc1cc(cc(OC)c1OC)-c1ccc(Cn2ccnc2)cc1
COc1ccc(cc1)-c1c(SCC=C)oc2cc(OCc3ccccc3)ccc2c1=O
COc1ccc(cc1)-c1c(SCc2ccccc2)oc2cc(OCc3ccccc3)ccc2c1=O
COc1ccc2c(c1)oc(SCC=C)c(-c1ccccc1)c2=O
COc1ccc2c(c1)oc(SCc1ccccc1)c(-c1ccccc1)c2=O
COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O
COc1ccc2c(c1)oc(SCc1cccnc1)c(-c1ccccc1)c2=O
COc1ccc2c(c1)oc(SCc1ccccn1)c(-c1ccccc1)c2=O
COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccc(C)cc1)c2=O
COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(OC)ccc2c1=O
O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc12
COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc2c1=O
Oc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O
Oc1ccc2c(c1)oc(SCc1cccnc1)c(-c1ccccc1)c2=O
Oc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(O)ccc2c1=O
COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(O)ccc2c1=O
CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O
Cc1ncc2C(c3ccccc3-c2n1)n1ccnc1
O=C1c2ccccc2-c2nnc(Cn3ccnc3)cc12
c1cn(cn1)C1c2ccccc2-c2ccccc12
c1cn(cn1)C1(c2ccccc2-c2ccccc12)c1ccccc1
c1nncn1C1(c2ccccc2-c2ccccc12)c1ccccc1
c1cn(nn1)C1(c2ccccc2-c2ccccc12)c1ccccc1
c1ncn(n1)C1(c2ccccc2-c2ccccc12)c1ccccc1
COc1ccc2cc(Cn3ccnc3)c(=O)oc2c1
O=c1cc(Cn2ccnc2)c2ccccc2o1
COc1ccc2c(Cn3ccnc3)cc(=O)oc2c1
COc1ccc2c(Cn3cncn3)cc(=O)oc2c1
O=c1cc(OCCn2ccnc2)c2ccccc2o1
COc1ccc2c(OCCn3ccnc3)cc(=O)oc2c1
O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
COc1cc(Cn2ccnc2)c2ccc(=O)oc2c1
O=c1ccc2cc(Cn3ccnc3)ccc2o1
O=c1ccc2ccc(Cn3ccnc3)cc2o1
O=c1ccc2ccc(Cn3cncn3)cc2o1
O=c1ccc2ccc(OCCn3ccnc3)cc2o1
COc1ccc2ccc(=O)oc2c1Cn1ccnc1
O=c1oc2ccccc2c(Cn2ccnc2)c1-c1ccccc1
COc1ccc2c(-c3ccccc3)c(Cn3ccnc3)c(=O)oc2c1
COc1ccc2c(cc(=O)oc2c1)-c1ccncc1
O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1
S=c1ccc2cc(Cn3ccnc3)ccc2o1
COc1ccc2c(c1)oc(c(-c1ccccc1)c2=O)-n1ccnc1
COc1ccc(cc1)-c1c(oc2cc(OC)ccc2c1=O)-n1ccnc1
O=c1c(-c2ccccc2)c(oc2cc(OCc3ccccc3)ccc12)-n1ccnc1
COc1ccc(cc1)-c1c(oc2cc(OCc3ccccc3)ccc2c1=O)-n1ccnc1
COc1ccc2c(c1)oc(c(-c1ccccc1)c2=O)-n1cncn1
COc1ccc2c(c1)oc(Sc1ncc[nH]1)c(-c1ccccc1)c2=O
COc1ccc2c(c1)oc(Sc1nccn1C)c(-c1ccccc1)c2=O
COc1ccc2c(c1)oc(Sc1nnc[nH]1)c(-c1ccccc1)c2=O
O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3N(=O)=O)ccc12
O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc(c3)N(=O)=O)ccc12
O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc(cc3)N(=O)=O)ccc12
O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc4ccccc34)ccc12
O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc4ccccc4c3)ccc12
O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCCc3ccccc3)ccc12
COc1ccccc1COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O
COc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCC3CCCCC3)ccc12
Fc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
Brc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
Clc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc(cc3)-c3ccccc3)ccc12
O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccn3)ccc12
O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r|
O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r|
Brc1ccc(cc1)[C@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
Brc1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)C#N)n1ccnc1 |r|
O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)C#N)n1ccnc1 |r|
c1cc(ccc1C#N)[C@@H]2CCCc3n2cnc3
C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:18,t:22|
CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:19,t:23|
CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:20,t:24|
CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:21,t:25|
CCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:22,t:26|
CCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:23,t:27|
CCCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:24,t:28|
C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:18,t:22|
CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:19,t:23|
CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:20,t:24|
CCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:21,t:25|
CCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:22,t:26|
CCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:23,t:27|
CCCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:24,t:28|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2=O |r,t:8|
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C
C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
CCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25|
CCCCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28|
C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
CCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25|
CCCCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28|
CC12CCC3C(C[C@H](O)C4=CCCCC34C)C1CCC2=O |r,t:9|
CC(=O)O[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:24|
CO[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
CC12CCC3C(C[C@@H](O)C4=CCCCC34C)C1CCC2=O |r,t:9|
CC(=O)O[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:24|
CO[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
C[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
CC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
CCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
CCCCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25|
CCCCCCCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28|
C[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
CC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
CCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
CCCCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25|
CCCCCCCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28|
CC12CCC3C(CCC4=CCCCC34C)C1CCC2=O |t:8|
CC12CCC3C(CCC4=CCCCC34C)C1CC[C@@H]2O |r,t:8|
C[C@]12CCC3C(CC=C4[C@H](O)CCC[C@]34C)C1CCC2=O |r,t:7|
CC(=O)O[C@@H]1CCC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:24|
C[C@]12CCC3C(CC=C4[C@H](O)CCC[C@]34CO)C1CCC2=O |r,t:7|
CC(=O)O[C@@H]1CCC[C@]2(CO)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:25|
C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34C)C1CCC2=O |r,t:7|
CC(=O)O[C@H]1CCC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:24|
C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34CO)C1CCC2=O |r,t:7|
CO[C@H]1CCC[C@]2(CO)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:23|
COC[C@]12CCC[C@H](O)C1=CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:10|
C[C@]12CCC3C(C[C@H](O)C4=CCCC[C@]34C)C1CCC2=O |r,t:9|
C[C@]12CCC3C(C[C@H](O)C4=CCCC[C@]34CO)C1CCC2=O |r,t:9|
C[C@]12CCC3C(C[C@@H](O)C4=CCCC[C@]34C)C1CCC2=O |r,t:9|
C[C@]12CCC3C(C[C@@H](O)C4=CCCC[C@]34CO)C1CCC2=O |r,t:9|
C[C@]12CCC3C(CCC4=CCCC[C@]34C)C1CCC2=O |r,t:8|
C[C@]12CCC3C(CCC4=CCCC[C@]34CO)C1CCC2=O |r,t:8|
C[C@]12CCC3C(CC=C4CCCC[C@]34C)C1CCC2=O |r,t:7|
C[C@]12CCC3C(CC=C4CCCC[C@]34CO)C1CCC2=O |r,t:7|
COc1ccc2cc(oc2c1)C(O)(c1ccc(F)cc1)c1cccnc1
COc1ccc2cc(oc2c1)C(O)(c1ccc(Cl)cc1)c1cccnc1
COc1ccc(cc1)C(O)(c1cc2ccc(OC)cc2o1)c1cccnc1
COc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1ccnc1
COc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1
COc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
COc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1cncn1
COc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1
COc1ccc2cc(oc2c1)C(c1ccc(cc1)N(=O)=O)n1cncn1
COc1ccc2cc(oc2c1)C(c1ccc(C)cc1)n1cncn1
COc1ccc2cc(oc2c1)C(c1ccc(cc1)C(F)(F)F)n1cncn1
CCc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1cncn1
Oc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
Oc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1
Oc1ccc2cc(oc2c1)C(c1ccc(cc1)N(=O)=O)n1cncn1
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N
Brc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1
c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N
NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1F
NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3
NS(=O)(=O)Oc1cccc(CN(c2ccc(cc2)C#N)n2cnnc2)c1
C1CC(c2cccnc2C1)n1ccnc1
C(C1CCCc2ncccc12)n1ccnc1
C(C1=CCCc2ncccc12)n1ccnc1 |t:1|
C(Cn1ccnc1)C1CCCc2ncccc12
C(Cn1ccnc1)C1=CCCc2ncccc12 |t:8|
C(Cn1ccnc1)c1cccc2ncccc12
C(Cn1ccnc1)C1CCCc2ccccc12
C(CC1CCCc2ncccc12)Cn1ccnc1
C(CC1=CCCc2ncccc12)Cn1ccnc1 |t:2|
C(Cn1ccnc1)C1CCCc2occc12
C(Cn1ccnc1)C1CCCc2sccc12
C(\C=C1/CCCc2occc12)n1ccnc1
C(\C=C1\CCCc2occc12)n1ccnc1
C(\C=C1/CCCc2sccc12)n1ccnc1
C(\C=C1\CCCc2sccc12)n1ccnc1
C(Cn1ccnc1)c1cccc2sccc12
C1CC(c2ncccc2C1)n1ccnc1
c1cn(cn1)-c1ccc2cnccc2c1
C(c1ccc2ccncc2c1)n1ccnc1
CS[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:7,t:22|
CSC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:8|
CSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:9,t:24|
CSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:9|
CCSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25|
CSCCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25|
CN(C)CC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25|
COCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:9,t:24|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCI)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCOS(C)(=O)=O)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CC[Se]c3ccccc3)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSc3ccccc3)C1CCC2=O |r,c:3,t:8|
CC(=O)SCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:11,t:26|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCO)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCCl)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCS)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC(F)F)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSSc3ccc(cc3N(=O)=O)N(=O)=O)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCC#C)C1CCC2=O |r,c:3,t:8|
CSCSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:11,t:26|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCC=C)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC=C)C1CCC2=O |r,c:3,t:8|
CSSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSSc3ccccc3)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC3CC3)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC#C)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCF)C1CCC2=O |r,c:3,t:8|
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC#N)C1CCC2=O |r,c:3,t:8|
CSC(C[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21)SC |r,c:9,t:24|
CCSC(C[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21)SCC |r,c:10,t:25|
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
Nc1noc2cccc(-c3ccc(N)cc3)c12
NC(=O)Nc1ccc(cc1)-c1cccc2onc(N)c12
Nc1noc2cccc(-c3ccc(NC(=O)c4ccccc4)cc3)c12
Nc1noc2cccc(-c3ccc(NC(=O)\C=C\c4cccc(c4)C(F)(F)F)cc3)c12
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3snc(N)c23)c1
Nc1nsc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12
Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12
Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)c12
Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)cc3)c12
Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1
Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12
Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)c12
Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
Nc1noc2cccc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(c4)C(F)(F)F)cc3)c12
Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c12
COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
COc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)noc12
COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
COc1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c2c(N)noc12
COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(C)c3onc(N)c23)c1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(F)c3onc(N)c23)c1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(OC(F)(F)F)c3onc(N)c23)c1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(CN3CCOCC3)c3onc(N)c23)c1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(OCCN3CCOCC3)c3onc(N)c23)c1
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3
NS(=O)(=O)Oc1ccc(cc1)C(c1ccc(OS(N)(=O)=O)cc1)n1cncn1
NS(=O)(=O)Oc1cccc(c1)C(c1cccc(OS(N)(=O)=O)c1)n1cncn1
NS(=O)(=O)Oc1ccc(cc1Br)C(c1ccc(OS(N)(=O)=O)c(Br)c1)n1cncn1
COc1ccc(cc1OS(N)(=O)=O)C(c1ccc(OC)c(OS(N)(=O)=O)c1)n1cncn1
COc1cc(ccc1OS(N)(=O)=O)C(c1ccc(OS(N)(=O)=O)c(OC)c1)n1cncn1
NS(=O)(=O)Oc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
NS(=O)(=O)Oc1ccc(cc1Cl)C(c1ccc(cc1)C#N)n1cncn1
NS(=O)(=O)Oc1ccc(cc1Br)C(c1ccc(cc1)C#N)n1cncn1
NS(=O)(=O)Oc1ccc(cc1Br)[C@@H](c1ccc(cc1)C#N)n1cncn1 |r|
NS(=O)(=O)Oc1ccc(cc1Br)[C@H](c1ccc(cc1)C#N)n1cncn1 |r|
Oc1cccc(c1)C(c1cccc(O)c1)n1cncn1
Oc1ccc(cc1)C(c1ccc(O)cc1)n1cncn1
Oc1ccc(cc1Br)C(c1ccc(O)c(Br)c1)n1cncn1
COc1ccc(cc1O)C(c1ccc(OC)c(O)c1)n1cncn1
COc1cc(ccc1O)C(c1ccc(O)c(OC)c1)n1cncn1
Oc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Oc1ccc(cc1Cl)C(c1ccc(cc1)C#N)n1cncn1
Oc1ccc(cc1Br)C(c1ccc(cc1)C#N)n1cncn1
Oc1ccc(cc1Br)[C@@H](c1ccc(cc1)C#N)n1cncn1 |r|
Oc1ccc(cc1Br)[C@H](c1ccc(cc1)C#N)n1cncn1 |r|
NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1I
COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1OS(N)(=O)=O
NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1C#N
COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc(Cl)c1OS(N)(=O)=O
Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1
Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1F
Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Br
Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1I
COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1O
Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1C#N
Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1C(F)(F)F
COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc(Cl)c1O
Oc1c(Cl)cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
Oc1c(F)c(F)c(CN(c2ccc(cc2)C#N)n2cnnc2)c(F)c1F
NS(=O)(=O)Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1F
NS(=O)(=O)Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Cl
NS(=O)(=O)Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Br
COc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1OS(N)(=O)=O
Oc1cccc(CN(c2ccc(cc2)C#N)n2cnnc2)c1
Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1F
Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Cl
Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Br
COc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1O
Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1C(F)(F)F
Fc1ccc(Nc2ncc(Br)s2)cc1
OC(=O)c1ccc(Nc2ncc(Br)s2)cc1
CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br
CN1c2c(ccc3c2OCO3)C(=CC1=O)OC
CC1=CC(=O)Nc2c1ccc3c2OCO3
CC1=CC(=O)N(c2c1ccc3c2OCO3)C
Cc1cc(=O)[nH]c2ccccc12
CC1=CC(=O)N(c2c1cccc2)C
CC1=CC(=O)Nc2c1cccc2OC
COc1cccc2c(C)cc(=O)n(C)c12
COc1ccc2c(C)cc(=O)[nH]c2c1OC
CC1=CC(=O)N(c2c1ccc(c2OC)OC)C
COc1cc(OC)c2[nH]c(=O)cc(C)c2c1
CC1=CC(=O)N(c2c1cc(cc2OC)OC)C
CC1=CC(=O)Nc2c1c(ccc2OC)OC
CC1=CC(=O)N(c2c1c(ccc2OC)OC)C
CC1=CC(=O)Nc2c1cc(c(c2OC)OC)OC
CC1=CC(=O)N(c2c1cc(c(c2OC)OC)OC)C
CC1=CC(=O)Nc2c1c(c(cc2OC)OC)OC
CC1=CC(=O)N(c2c1c(c(cc2OC)OC)OC)C
COc1c(OC)c(OC)c2c(C)cc(=O)[nH]c2c1OC
COc1c(OC)c(OC)c2n(C)c(=O)cc(C)c2c1OC
Cc1cc(=O)n(C)c2C(=O)C=CC(=O)c12 |c:10|
Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Oc1ccc2c(c1)oc(cc2=O)-c1ccc(F)cc1
Oc1ccc2c(c1)oc(cc2=O)-c1ccc(Br)cc1
Oc1ccc2c(c1)oc(cc2=O)-c1ccc(I)cc1
Oc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(=O)=O
Cc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
CCCCc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O
Nc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
CCOC(=O)\C=C\c1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
OC(=O)\C=C\c1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
OC(c1cc2ccccc2o1)(c1ccc(F)cc1)c1cccnc1
OC(c1cc2ccccc2o1)(c1ccc(Cl)cc1)c1cccnc1
OC(c1cc2ccccc2o1)(c1ccc(Br)cc1)c1cccnc1
OC(c1cc2ccccc2o1)(c1ccc(I)cc1)c1cccnc1
OC(c1cc2ccccc2o1)(c1cccnc1)c1ccc(Cl)cc1Cl
COc1ccc(cc1)C(O)(c1cc2ccccc2o1)c1cccnc1
OC(c1ccco1)(c1ccc(Cl)cc1)c1cccnc1
COc1ccc(cc1)C(O)(c1ccco1)c1cccnc1
COc1cc(cc(OC)c1O)C1CC(=O)Oc2cc3OCOc3cc12
c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O
COc1cc(cc(OC)c1OC)C1CC(=O)Oc2cc3OCOc3cc12
COc1cc(cc(OC)c1OC(C)=O)C1CC(=O)Oc2cc3OCOc3cc12
COc1ccc2C(CC(=O)Oc2c1)c1cc(OC)c(OC)c(OC)c1
COc1cc(OC)c2C(CC(=O)Oc2c1)c1cc(OC)c(OC)c(OC)c1
COc1cc(cc(OC)c1OC)C1CC(=O)Nc2cc3OCOc3cc12
COc1cc(cc(OC)c1O)C1CC(=O)Nc2cc3OCOc3cc12
Cc1c(C(=O)CSC#N)c(=O)n(-c2ccccc2)n1C
Cc1c(-c2csc(=N)o2)c(=O)n(-c2ccccc2)n1C
Cc1c(C(=O)c2sc(=N)sc2Nc2ccccc2)c(=O)n(-c2ccccc2)n1C
Cc1c(C(=O)c2nn3c(nc(=N)c4ccccc34)s2)c(=O)n(-c2ccccc2)n1C
Cc1c(C(=O)c2nn3c(nc(=O)c4ccccc34)s2)c(=O)n(-c2ccccc2)n1C
Cc1c(-c2nn(cc2SC#C)-c2ccccc2)c(=O)n(-c2ccccc2)n1C |(6.84,-23.1,;5.43,-22.48,;5.11,-20.97,;6.14,-19.83,;7.39,-20.73,;8.63,-19.83,;8.16,-18.36,;6.62,-18.36,;5.71,-17.12,;6.34,-15.71,;6.74,-14.22,;10.1,-20.3,;10.42,-21.81,;11.88,-22.29,;13.03,-21.25,;12.71,-19.75,;11.24,-19.27,;3.58,-20.81,;2.81,-19.48,;2.95,-22.22,;1.45,-22.54,;.42,-21.39,;-1.09,-21.71,;-1.57,-23.18,;-.53,-24.32,;.97,-24,;4.1,-23.25,;3.94,-24.78,)|
Cc1c(-c2nocc2SC#N)c(=O)n(-c2ccccc2)n1C |(16.74,-22.83,;15.33,-22.2,;15.01,-20.7,;16.04,-19.55,;17.57,-19.71,;18.2,-18.31,;17.06,-17.28,;15.72,-18.05,;14.32,-17.42,;14.15,-15.89,;14.15,-14.35,;13.48,-20.54,;12.71,-19.2,;12.85,-21.94,;11.35,-22.26,;10.32,-21.12,;8.81,-21.44,;8.33,-22.9,;9.37,-24.05,;10.87,-23.73,;14,-22.97,;13.84,-24.5,)|
CC1C(C(=O)N(N1C)c1ccccc1)c1csc2nc3ccccc3c(=O)n12
Cc1c(-c2csc(O)n2)c(=O)n(-c2ccccc2)n1C
Cc1c(-c2csc(Cl)n2)c(=O)n(-c2ccccc2)n1C
Cc1cccc(C(=O)OCCOc2ccc(cc2)S(N)(=O)=O)c1N
COC(C)C(=O)Nc1cccc(NC(C(N)=O)c2ccccc2)c1
Clc1cc2NC(=O)COc2cc1NCc1cccc(NC(=O)c2ccccc2Cl)c1
Oc1cc2NC(=O)COc2cc1NCc1cccc(c1)C(=O)Nc1cccnc1
O=C(Nc1cccnc1)c1cccc(CNc2ccc3NC(=O)COc3c2)c1
Oc1ccccc1NC(=O)c1cccc(CNc2ccc3NC(=O)COc3c2)c1
Clc1ccc(NC(=O)c2cn[nH]c2)cc1C(=O)Nc1ccc2NC(=O)COc2c1
Clc1cc2NC(=O)COc2cc1NCc1cccc(c1)C(=O)Nc1cccnc1
CCCC[C@H]1C[C@@](CC)(C(=O)NC1=O)c1ccncc1
CC[C@@]1(CCC(=O)NC1=O)c1ccncc1
CC[C@@]1(CC(C)(C)C(=O)NC1=O)c1ccncc1
CCCCCCCCC[C@H]1C[C@@](CC)(C(=O)NC1=O)c1ccncc1
CC[C@@]1(C[C@H](C)C(=O)NC1=O)c1ccncc1
CCCCCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
CC[C@@]1(C[C@@H](C)C(=O)NC1=O)c1ccncc1
CCCCCCCC[C@H]1C[C@@](CC)(C(=O)NC1=O)c1ccncc1
CCCCCCCC[C@H]1C[C@@](CCCCCCCC)(C(=O)NC1=O)c1ccncc1
CCCCCCCC[C@H]1C[C@](CC)(C(=O)NC1=O)c1ccncc1
CCN(CC)c1ccc2cc(-c3cc4ccc(cc4oc3=O)N(CC)CC)c(=O)oc2c1
COc1ccc2cc(-c3cc4ccc(OC)cc4oc3=O)c(=O)oc2c1
O=c1ccc2ccc(cc2o1)-c1cccnc1
O=c1ccc2ccc(cc2o1)-c1ccccn1
COc1ccc(cc1)-c1ccc2ccc(=O)oc2c1
COc1ccc2c(c1)OC(=O)C=C2
CCN(CC)c1ccc2cc(-c3coc(n3)-c3ccccc3)c(=O)oc2c1
CCN(CC)c1ccc2cc(-c3ncco3)c(=O)oc2c1
CCN(CC)c1ccc2cc(-c3cnco3)c(=O)oc2c1
CCN(CC)c1ccc2cc(-c3nc(cs3)-c3ccccc3)c(=O)oc2c1
CCOC(=O)c1csc(n1)-c1cc2ccc(cc2oc1=O)N(CC)CC
CCN(CC)c1ccc2cc(-c3nc(C)cs3)c(=O)oc2c1
CCN(CC)c1ccc2c(c1)OC(=O)C=C2
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C
O=c1ccc2ccc(cc2o1)-c1ccncc1
O=c1ccc2ccc(cc2o1)-c1ccccc1
CCOC(=O)c1oc(nc1C)-c1cc2ccc(cc2oc1=O)N(CC)CC
CCN(CC)c1ccc2cc(-c3nc(CC(=O)OC)cs3)c(=O)oc2c1
CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
Cc1nn(-c2cncc(c2)[C@](C)(O)C(F)(F)F)c2ccccc12 |r|
C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r|
Cc1nn(-c2cncc(c2)C(C)(C)O)c2cccc(F)c12
Cc1nn(-c2cncc(c2)[C@@](C)(O)C(F)(F)F)c2ccccc12 |r|
CC(C)(O)c1cncc(c1)-n1ncc2c(cccc12)C(F)(F)F
CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N
Nc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCCCC1
Nc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCCC1
CC[C@]1(CCC(=O)NC1=O)c1ccc(N)cc1
O=C(\C=C/Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1ccc2Sc3ccccc3Nc2c1
O=C(\C=C/Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1)c1ccc2Sc3ccccc3Nc2c1
O=C(\C=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)c1ccc2Sc3ccccc3Nc2c1
NC(=N)NS(=O)(=O)c1ccc(N\C=C/C(=O)c2ccc3Sc4ccccc4Nc3c2)cc1
COc1ccc2CCC(Cc3ccncc3)C(=O)c2c1
O=C1\C(CCc2ccccc12)=C\c1ccncc1
Oc1cccc2C(=O)\C(CCc12)=C\c1ccncc1
COc1ccc2C(=O)C(Cc3ccncc3)CCc2c1
Oc1ccc2C(=O)\C(CCc2c1)=C\c1ccncc1
Oc1cccc2C(=O)C(Cc3ccncc3)CCc12
COc1ccc2C(=O)\C(CCc2c1)=C\c1ccncc1
COc1ccc2CC\C(=C/c3ccncc3)C(=O)c2c1
COc1cccc2C(=O)\C(CCc12)=C\c1ccncc1
Oc1ccc2CCC(Cc3ccncc3)C(=O)c2c1
COc1cccc2C(=O)C(Cc3ccncc3)CCc12
Oc1ccc2CC\C(=C/c3ccncc3)C(=O)c2c1
O=C1C(Cc2ccncc2)CCc2ccccc12
Oc1ccc2C(=O)C(Cc3ccncc3)CCc2c1
Nc1ccc(cc1)C12CC(C1)C(=O)NC2=O |(8.22,.27,;6.89,-.5,;5.54,.28,;4.2,-.47,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;2.88,-2.78,;1.55,-2.01,;.23,-2.78,;1.56,-3.55,;.23,-4.32,;-1.11,-5.09,;1.55,-5.09,;2.88,-4.32,;4.21,-5.09,)|
Nc1ccc(cc1)[C@]12C[C@H]1C(=O)NC2=O
COc1ccc(CN2C(=O)C3CC(C3)(C2=O)c2ccc(N)cc2)cc1 |(-5.12,-8.95,;-3.78,-9.72,;-2.44,-8.93,;-2.44,-7.39,;-1.11,-6.62,;.22,-7.41,;1.55,-6.64,;1.55,-5.1,;.23,-4.33,;-1.11,-5.1,;.23,-2.79,;1.55,-2.02,;2.88,-2.79,;1.57,-3.56,;2.88,-4.33,;4.21,-5.1,;4.21,-2.02,;5.54,-2.8,;6.89,-2.04,;6.9,-.5,;8.23,.27,;5.54,.28,;4.2,-.47,;.23,-8.93,;-1.1,-9.7,)|
CCCCCCCCCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(-5.11,-16.64,;-3.78,-15.87,;-3.78,-14.33,;-2.44,-13.56,;-2.44,-12.02,;-1.11,-11.25,;-1.11,-9.71,;.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)|
Nc1ccc(cc1)C12CC1C(=O)NC2=O
CCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)|
Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O
Nc1ccc(cc1)[C@@]12C[C@@H]1C(=O)NC2=O
Nc1ccc(cc1)C12CC(C1)C(=O)N(CC1CCCCC1)C2=O |(8.24,.27,;6.91,-.5,;6.9,-2.04,;5.55,-2.81,;4.22,-2.02,;4.21,-.47,;5.55,.28,;2.88,-2.79,;1.55,-2.02,;.23,-2.79,;1.57,-3.56,;.23,-4.33,;-1.11,-5.11,;1.55,-5.11,;1.55,-6.65,;.22,-7.42,;.23,-8.96,;-1.11,-9.71,;-2.45,-8.94,;-2.45,-7.4,;-1.11,-6.64,;2.88,-4.33,;4.22,-5.11,)|
CCCCCCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(-2.44,-13.56,;-2.44,-12.02,;-1.11,-11.25,;-1.11,-9.71,;.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)|
CCCCCN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(-1.11,-11.25,;-1.11,-9.71,;.22,-8.94,;.22,-7.4,;1.55,-6.63,;1.55,-5.09,;.23,-4.32,;-1.11,-5.09,;.23,-2.78,;1.55,-2.01,;2.88,-2.78,;1.56,-3.55,;2.88,-4.32,;4.21,-5.09,;4.21,-2.01,;5.54,-2.8,;6.88,-2.04,;6.89,-.5,;8.22,.27,;5.54,.28,;4.2,-.47,)|
Nc1ccc(cc1)C12CC(C1)C(=O)N(C1CCCCC1)C2=O |(8.24,.27,;6.91,-.5,;6.9,-2.04,;5.55,-2.81,;4.22,-2.02,;4.21,-.47,;5.55,.28,;2.88,-2.79,;1.55,-2.02,;.23,-2.79,;1.57,-3.56,;.23,-4.33,;-1.11,-5.11,;1.55,-5.11,;1.55,-6.65,;2.88,-7.4,;2.88,-8.96,;1.55,-9.71,;.22,-8.94,;.22,-7.4,;2.88,-4.33,;4.22,-5.11,)|
CCCCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1
CC(C)CN1C(=O)C2CC(C2)(C1=O)c1ccc(N)cc1 |(.22,-8.96,;.22,-7.42,;-1.11,-6.65,;1.55,-6.65,;1.55,-5.11,;.23,-4.33,;-1.11,-5.11,;.23,-2.79,;1.55,-2.02,;2.88,-2.79,;1.57,-3.56,;2.88,-4.33,;4.22,-5.11,;4.22,-2.02,;5.55,-2.81,;6.9,-2.04,;6.91,-.5,;8.24,.27,;5.55,.28,;4.21,-.47,)|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]34C3CO3)C1CCC2=O |t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C3CO3)C1CCC2=O |t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]34C3CS3)C1CCC2=O |t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C3CS3)C1CCC2=O |t:8|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C[C@@H]3CO3)[C@@H]1CCC2=O |t:8|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C[C@@H]3CS3)[C@@H]1CCC2=O |t:8|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C[C@H]3CO3)[C@@H]1CCC2=O |t:8|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C[C@H]3CS3)[C@@H]1CCC2=O |t:8|
C[C@]12CCC3C(CCC4=CC(=O)[C@H]5C[C@@H](O)[C@@]34C5)C1CCC2=O |t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(=O)CBr)C1CCC2=O |t:8|
C[C@]12CCC3C(CCC4=CC(=O)[C@H]5C[C@H](O)[C@@]34C5)C1CCC2=O |t:8|
C[C@]12CCC3C(CCC4=CC(=O)[C@H]5CC[C@@]34C5)C1CCC2=O |t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(O)CBr)C1CCC2=O |t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(O)CCl)C1CCC2=O |t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(O)CI)C1CCC2=O |t:8|
CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O |r|
c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(cc2)C#N)cc1
CCS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
CC(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C(F)(F)F)cc(c1)-c1ccncc1
CC(C(=O)OC1CCCCC1)c1ccncc1
O=C(Cc1ccncc1)Oc1ccccc1
CC1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3,THB:0:1:17:3|
CC(C)(C)C1CCC(CC1)OC(=O)Cc1ccncc1 |(-2.68,-8.66,;-1.35,-7.89,;-1.33,-6.35,;-.95,-9.39,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)|
CC1CCC(CC1)OC(=O)Cc1ccncc1 |(-1.35,-7.89,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)|
CC1(C)C2CCC1(C)C(C2)OC(=O)Cc1ccncc1
CC(C)(C(=O)OC1CCCCC1)c1ccncc1
CC(C)CC(C)OC(=O)Cc1ccncc1
CC(C)C1CCC(C)CC1OC(=O)Cc1ccncc1
O=C(Cc1ccncc1)OC1=CC2CCC1C2 |t:11,TLB:9:10:16:14.13|
CC(C)CCOC(=O)Cc1ccncc1
O=C(Cc1ccncc1)OC1CCCCC1
CC(C)OC(=O)Cc1ccncc1
O=C(Cc1ccncc1)OC1CCCC1
O=C(Cc1ccncc1)OC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:16.17.15,18:16:10.11.19:13,15:16:11:14.19.13,15:14:11:16.18.17|
CC1(CCCCC1)OC(=O)Cc1ccncc1
CCC1CCC(CC1)OC(=O)Cc1ccncc1 |(-2.68,-8.66,;-1.35,-7.89,;-.02,-8.68,;-.02,-10.22,;1.31,-11,;2.64,-10.23,;2.64,-8.69,;1.33,-7.92,;3.97,-11,;5.3,-10.23,;5.3,-8.69,;6.63,-11,;7.98,-10.23,;9.31,-11,;10.65,-10.23,;10.65,-8.69,;9.31,-7.92,;7.98,-8.69,)|
CC1CCC(C1)OC(=O)Cc1ccncc1
CC12CCC3C(C1CCC2=O)C(Cc1ccc(N)cc1)=CC1=CC(=O)CCC31C |c:22,t:24|
CC12CCC3C(C1CCC2=O)C(Cc1ccc(cc1)[N+]([O-])=O)=CC1=CC(=O)CCC31C |c:24,t:26|
CC12CCC3C(C1CCC2=O)C(CCc1ccccc1)=CC1=CC(=O)CCC31C |c:22,t:24|
CC12CCC3C(C1CCC2=O)C(Cc1ccccc1)=CC1=CC(=O)CCC31C |c:21,t:23|
CC12CCC3C(C1CCC2=O)C(=CC1=CC(=O)CCC31C)c1ccccc1 |c:13,t:15|
CC12CCC3C(C1CCC2=O)C(CCc1ccc(cc1)[N+]([O-])=O)=CC1=CC(=O)CCC31C |c:25,t:27|
CC12CCC3C(C1CCC2=O)C(CCc1ccc(N)cc1)=CC1=CC(=O)CCC31C |c:23,t:25|
CC[C@@]1(CCC(=O)N(C)C1=O)c1ccncc1
CCCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
CCCCCCCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
CCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
CCCCCCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
CCCCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
CCCCCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
CCCCCCCCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
CCCCCCCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
CCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
CCC1(CCC(=O)NC1=O)c1ccncc1
CCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
CCCN1C(=O)CC[C@@](CC)(C1=O)c1ccncc1
C[C@@]1(CCC(=O)NC1=O)c1ccncc1
CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
CCCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
CCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
CCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
CCCCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1
[O-][N+](=O)c1ccc(cc1)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(F)cc1)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(F)cc1
FC(F)(F)c1ccc(cc1)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1
Oc1ccccc1C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccccc1[N+]([O-])=O
Cc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(C)cc1)c1ccccc1
COc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C1(C(=O)Nc2ccccc12)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(OC)cc1
COc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(OC)cc1)c1ccccc1
Fc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(F)cc1)c1ccc(cc1)C#N
Fc1ccc(cc1)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Br)cc1)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Br)cc1
COc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(OC)cc1)c1ccc(O)cc1
COc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(OC)cc1)c1ccccc1O
CCn1c2ccccc2c2ccc(cc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1
[O-][N+](=O)c1ccccc1S(=O)(=O)NCCc1c([nH]c2ccccc12)C1(C(=O)Nc2ccccc12)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccccc1[N+]([O-])=O
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
[O-][N+](=O)c1ccc(cc1)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Br)cc1)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Br)cc1
Clc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(cc1)C#N
FC(F)(F)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C#N
Clc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1
FC(F)(F)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(F)(F)F)c1ccc(Br)cc1
Fc1ccc(cc1)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(F)(F)F)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(F)(F)F
FC(F)(F)c1ccc(cc1)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(F)(F)F)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(F)(F)F
Oc1ccc(cc1)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1
Oc1ccc(cc1)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(F)(F)F)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(F)(F)F
Oc1ccccc1C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Oc1ccccc1C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1
Oc1ccccc1C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1cccc(c1)[N+]([O-])=O)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1cccc(c1)[N+]([O-])=O
COc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(OC)cc1)c1cc(OC)c(O)c(OC)c1
Clc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C1(C(=O)Nc2ccccc12)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1
[O-][N+](=O)c1cccc(c1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C1(C(=O)Nc2ccccc12)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1cccc(c1)[N+]([O-])=O
[O-][N+](=O)c1ccc(cc1)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(F)(F)F)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(F)(F)F
Oc1ccc(cc1)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1cccc(c1)[N+]([O-])=O)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1cccc(c1)[N+]([O-])=O
Clc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc-2c(Cc3ccccc-23)c1
Cc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(C)cc1)c1ccccc1O
FC(F)(F)c1ccc(cc1)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Br)cc1)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Br)cc1
Fc1ccc(cc1)C(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Cl)cc1
Clc1ccc(cc1)-c1[nH]c2cc3OCOc3cc2c1Cn1ccnc1
Fc1ccc(cc1)-c1[nH]c2cc(F)ccc2c1Cn1ccnc1
COc1ccc(cc1)-c1[nH]c2cc(F)ccc2c1Cn1cncn1
Fc1ccc(cc1)-c1[nH]c2cc(Cl)ccc2c1Cn1ccnc1
COc1ccc2c(Cn3ccnc3)c([nH]c2c1)-c1ccc(Cl)cc1
Fc1ccc(cc1)-c1[nH]c2cc(Cl)ccc2c1Cn1cncn1
Clc1ccc(cc1)-c1[nH]c2cc3OCOc3cc2c1Cn1cncn1
Fc1ccc2c(Cn3ccnc3)c([nH]c2c1)-c1ccc(Cl)cc1
COc1ccc(cc1)-c1[nH]c2cc(F)ccc2c1Cn1ccnc1
COc1ccc(cc1)-c1[nH]c2cc(Cl)ccc2c1Cn1ccnc1
COc1ccc2c(Cn3ccnc3)c([nH]c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1[nH]c2cc3OCOc3cc2c1Cn1ccnc1
Fc1ccc2c(Cn3cncn3)c([nH]c2c1)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1[nH]c2cc(Cl)ccc2c1Cn1cncn1
COc1ccc2c(Cn3cncn3)c([nH]c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-c1[nH]c2cc3OCOc3cc2c1Cn1cncn1
Fc1ccc(cc1)-c1[nH]c2cc(F)ccc2c1Cn1cncn1
COc1ccc2c(Cn3cncn3)c([nH]c2c1)-c1ccc(Cl)cc1
COc1ccc(cc1)-c1[nH]c2cc(Cl)ccc2c1Cn1cncn1
Clc1ccc(cc1)-c1[nH]c2cc(Cl)ccc2c1Cn1ccnc1
c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O
Cn1c(cc2cc(ccc12)[N+]([O-])=O)-c1ccccc1
Cc1ccccc1-c1cc2cc(ccc2[nH]1)[N+]([O-])=O
Clc1ccc2[nH]c(cc2c1)-c1ccccc1
Brc1ccc2[nH]c(cc2c1)-c1ccccc1
N#Cc1ccc2[nH]c(cc2c1)-c1cccnc1
c1c([nH]c2ccccc12)-c1cccnc1
C#Cc1c([nH]c2ccccc12)-c1ccccc1
[O-][N+](=O)c1ccc2[nH]c(cc2c1)-c1ccccc1
N#Cc1ccc2[nH]c(cc2c1)-c1ccccc1
CN1C(=O)CCc2cc(ccc12)-c1cccnc1
c1cc(c(cc1C#N)F)[C@H]2CCc3n2cnc3
CC1(C)Cc2noc(Cc3ccc(cc3)C(N)=O)c2C(=O)C1
CC1(C)Cc2noc(Cc3ccc(cc3)C(=O)N3CC[C@@H](O)C3)c2C(=O)C1 |r|
COc1ccc(Cc2onc3CC(C)(C)CC(=O)c23)cc1
CN1CCN(CC1=O)C(=O)c1ccc(Cc2onc3CC(C)(C)CC(=O)c23)cc1
CN(CCO)C(=O)c1ccc(Cc2onc3CC(C)(C)CC(=O)c23)cc1
CC1(C)Cc2noc(Cc3ccccc3)c2C(=O)C1
c1cc(ccc1C#N)[C@H]2CCCc3n2cnc3
c1sc(nc1-c1cccnc1)-c1cccnc1
Oc1ccccc1-c1csc(n1)-c1ncccn1
c1sc(nc1-c1ccccn1)-c1ncccn1
Clc1ccccc1-c1csc(n1)-c1ncccn1
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
Oc1cccc(c1)-c1csc(n1)-c1ncccn1
Cc1ccc(O)c(c1)-c1csc(n1)-c1ncccn1
Oc1ccc(Cl)cc1-c1csc(n1)-c1ncccn1
COc1ccccc1-c1csc(n1)-c1ncccn1
COc1ccc(cc1)-c1csc(n1)-c1ncccn1
Clc1cccc(c1)-c1csc(n1)-c1ncccn1
c1sc(nc1-c1ccncc1)-c1ncccn1
c1csc(c1)-c1csc(n1)-c1ncccn1
c1sc(nc1-c1cc2ccccc2s1)-c1ncccn1
c1sc(nc1-c1nc2ccccc2s1)-c1ncccn1
c1cncc(c1)-c1nsc(n1)-c1cccnc1
COc1ccc(O)c(c1)-c1csc(n1)-c1ncccn1
c1sc(nc1-c1cc2ccccc2o1)-c1ncccn1
Clc1ccc(cc1)-c1csc(n1)-c1ncccn1
c1sc(nc1-c1cccnc1)-c1ncccn1
c1coc(c1)-c1csc(n1)-c1ncccn1
Cn1c(nc2ccccc12)-c1csc(n1)-c1ncccn1
c1ccc(cc1)-c1nsc(n1)-c1ccccc1
Oc1ccc(cc1)-c1csc(n1)-c1ncccn1
COc1cccc(c1)-c1csc(n1)-c1ncccn1
CCCCCCCCC1(CCC(=O)NC1=O)c1ccncc1
CCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
CCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
CCCCCCC1(CCC(=O)NC1=O)c1ccncc1
CCCCC1(CCC(=O)NC1=O)c1ccncc1
CCCCCCCC1(CCC(=O)NC1=O)c1ccncc1
CCCCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
CC1(CCC(=O)NC1=O)c1ccncc1
CCN1C(=O)CCC(CC)(C1=O)c1ccncc1
CCCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
CCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
CCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
CCCCCCCCCC1(CCC(=O)NC1=O)c1ccncc1
CCC1(CCC(=O)N(C)C1=O)c1ccncc1
CCCCCC1(CCC(=O)NC1=O)c1ccncc1
CCCC1(CCC(=O)NC1=O)c1ccncc1
CCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Nc1ccc(cc1)C1CCC(=O)NC1=O
CC(C)C1(CCC(=O)NC1=O)c1ccc(N)cc1
CC(C)CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
CCCCCC1(CCC(=O)NC1=O)c1ccc(N)cc1
CCCCCCCC1(CCC(=O)NC1=O)c1ccc(N)cc1
CCCC1(CCC(=O)NC1=O)c1ccc(N)cc1
CCCCC1(CCC(=O)NC1=O)c1ccc(N)cc1
CCC(C)C1(CCC(=O)NC1=O)c1ccc(N)cc1
CC1(CCC(=O)NC1=O)c1ccc(N)cc1
CCCCCCC1(CCC(=O)NC1=O)c1ccc(N)cc1
CC(C)CC1(CCC(=O)NC1=O)c1ccc(N)cc1
CCCC(C)C1(CCC(=O)NC1=O)c1ccc(N)cc1
CCC(C)CC1(CCC(=O)NC1=O)c1ccc(N)cc1
Nc1ccc(cc1)C1CC(=O)NC1=O
CN1C(=O)CC(C1=O)c1ccc(N)cc1
CC1(CC(=O)NC1=O)c1ccc(N)cc1
CN1C(=O)CC(C)(C1=O)c1ccc(N)cc1
CCC1(CC(=O)NC1=O)c1ccc(N)cc1
O=C1\C(Cc2ccccc12)=C\c1cccc(OCCCn2ccnc2)c1
COc1ccc(\C=C2/Cc3ccccc3C2=O)cc1OCCCn1ccnc1
COc1cc(\C=C2/Cc3ccccc3C2=O)ccc1OCCCn1ccnc1
O=C1\C(Cc2ccccc12)=C\c1ccccc1OCCCn1ccnc1
CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:5:6:13:9|
C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9|
CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1 |TLB:7:6:10.9.16:12.13.14,5:6:13:10.9.11,16:15:13:10.9.11,THB:7:6:13:10.9.11,5:6:10.9.16:12.13.14,16:10:13:6.15.14,11:10:6:12.13.14,11:12:6:10.9.16,(4.95,-9.51,;4.66,-11.03,;4.37,-12.54,;6.18,-11.31,;6.68,-12.77,;7.18,-10.15,;8.69,-10.43,;8.91,-11.96,;10.07,-9.74,;10.07,-8.34,;10.91,-6.87,;12.28,-7.56,;12.28,-8.96,;11.44,-10.43,;10.91,-9.66,;9.53,-8.96,;9.53,-7.56,;3.15,-10.74,;2.64,-9.28,;1.13,-9,;.12,-10.16,;.63,-11.62,;2.14,-11.9,)|
C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9|
O=C(Cc1cccnc1)OC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:16.17.15,18:16:10.11.19:13,15:16:11:14.19.13,15:14:11:16.18.17|
CC1(OC(=O)Cc2cccnc2)C2CC3CC(C2)CC1C3 |TLB:17:12:20:16.18.15,17:16:1.12.13:20,0:1:14.13.20:16.18.17,THB:2:1:14.13.20:16.18.17,2:1:20:16.18.15,15:14:1:16.18.17,15:16:1:14.13.20,(3.25,-8.58,;4.78,-8.43,;4.56,-9.95,;5.77,-10.91,;7.2,-10.33,;5.55,-12.43,;6.76,-13.38,;8.19,-12.81,;9.4,-13.76,;9.18,-15.29,;7.75,-15.86,;6.54,-14.91,;5.62,-6.95,;6.99,-7.65,;8.37,-6.95,;8.37,-5.56,;6.99,-4.86,;5.62,-5.56,;6.15,-6.33,;6.15,-7.73,;7.53,-8.43,)|
C[C@H]1C2CC(CC1OC(=O)Cc1ccccn1)C2(C)C |TLB:7:6:17:3|
CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:4:5:12:8|
C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 |TLB:15:13:5.4:9,3:4:9:13.11.12,THB:14:13:5.4:9|
CC(C)(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:9:10:14:8.7.13,13:8:15:12.14.11,13:12:15:8.7.9,THB:9:8:14:10.15.11|
C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C |TLB:7:6:17:3|
CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1cccnc1 |TLB:4:5:12:8|
CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:7:8:15:11|
C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C |TLB:7:6:19:3|
C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C |TLB:7:6:19:3|
CC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:7.6.12,12:7:14:11.13.10,12:11:14:7.6.8,THB:8:7:13:9.14.10|
C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C |TLB:7:6:17:3|
CC12CCC3C(CCC4=C(Sc5ccccc5)C(=O)CCC34C)C1CCC2=O |c:8|
CC12CCC3C(CCC4=C(Oc5ccccc5)C(=O)CCC34C)C1CCC2=O |c:8|
CC12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CCC31C)Sc1ccccc1 |t:15|
CC12CCC3C(C1CCC2=O)[C@@H](CC1=C(Oc2ccccc2)C(=O)CCC31C)Sc1ccccc1 |c:15|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccccn1 |c:21,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |c:21,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccncc1 |c:21,t:7|
C[C@]12CCC3C(CC[C@H]4CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 |c:21|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 |c:21,t:8|
CC12CCC3C(C1CCC2=O)[C@@H](CCc1ccccc1)CC1=CC(=O)CCC31C |t:24|
CC12CCC3C(C1CCC2=O)C(CC1=CC(=O)CCC31C)Sc1ccc(N)cc1 |t:15|
CC12CCC3C(C1CC[C@@H]2O)[C@H](CCc1ccccc1)CC1=CC(=O)CCC31C |t:24|
CC12CCC3C(C1CCC2=O)[C@@H](Cc1ccccc1)CC1=CC(=O)CCC31C |t:23|
CC12CCC3C(C1CCC2=O)[C@H](CCCc1ccccc1)CC1=CC(=O)CCC31C |t:25|
CC12CCC3C(C1CCC2=O)[C@H](Cc1ccccc1)CC1=CC(=O)CCC31C |t:23|
CC12CCC3C(C1CCC2=O)[C@H](CCc1ccccc1)CC1=CC(=O)CCC31C |t:24|
CC12CCC3C(C1CC[C@@H]2O)[C@H](Cc1ccccc1)CC1=CC(=O)CCC31C |t:23|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C\C(=C/c1cccc(OCCCn3ccnc3)c1)[C@@H]2O |r,t:7|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C\C(=C/c1ccc(OCCCn3ccnc3)cc1)C2=O |r,t:8|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C\C(=C/c1cccc(OCCCn3ccnc3)c1)C2=O |r,t:8|
COc1ccc2CCC3C(C3c2c1)c1ccncc1
COc1cc2C3C(CCc2cc1Br)C3c1ccncc1
COc1ccc2C3C(CCc2c1)C3c1ccncc1
Oc1cccc2C3C(CCc12)C3c1ccncc1
Oc1ccc2CCC3C(C3c2c1)c1ccncc1
COc1ccc(Br)c2C3C(CCc12)C3c1ccncc1
C1Cc2ccccc2C2C1C2c1ccncc1
Oc1ccc2C3C(CCc2c1)C3c1ccncc1
COc1cccc2C3C(CCc12)C3c1ccncc1
COc1ccc2CCC3C(c2c1)C3(C)c1ccncc1
CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31CO |c:17,t:15|
CC12CCC3C(C1CCC2O)C(=O)C=C1CCCCC31C |t:15|
CC12CCC3C4CCC=CC4=CC(=O)C3C1CCC2=O |c:8,11|
CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31C=O |c:17,t:15|
CC12CCC3C4CCCCC4=CC(=O)C3C1CCC2=O |c:11|
CC12CCC3C(CC=C4CCCCC34C=O)C1CCC2=O |t:7|
CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O |t:8|
CC12CCC3C(CC=C4C=CCCC34C)C1CCC2=O |c:9,t:7|
C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:8|
CC12CCC3C(C1CCC2=O)C(=O)C=C1CCCCC31C |t:15|
C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:7|
CC12CCC3C(C1CCC2=O)C(=O)C=C1C=CCCC31C |c:17,t:15|
CC12CCC3C(C1CCC2=O)C(=O)C=C1CCCCC31C=O |t:15|
CC12CCC3C(CC=C4CCCCC34C)C1CCC2O |t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@]34C)[C@@H]1CCC2=O |r,t:7|
CC12CCC3C(CC=C4C=CCCC34C)C1CC[C@@H]2O |c:9,t:7|
CC12CCC3C(CC=C4CCCCC34C)C1C[C@@H](Br)C2=O |t:7|
CC12CCC3C(C1CC[C@@H]2O)C(=O)C=C1C=CCCC31C |c:17,t:15|
CC12CCC3C(CC=C4CCCCC34CO)C1CCC2O |t:7|
CC12CCC3C(C1CCC2O)C(=O)C=C1CCCCC31CO |t:15|
CC12CCC3C(C1CCC2=O)C(=O)C=C1CCCCC31CO |t:15|
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
Oc1cccc2CC(Cc3ccncc3)CCc12
COc1cccc2C(=O)\C(Cc12)=C\c1ccncc1
Oc1ccc2CC(Cc3ccncc3)CCc2c1
O=C1\C(Cc2ccccc12)=C\c1ccncc1
Oc1ccc2C(=O)C(Cc3ccncc3)Cc2c1
COc1ccc2C(=O)C(Cc3ccncc3)Cc2c1
Oc1cccc2CC(Cc3ccncc3)Cc12
COc1ccc2CC(Cc3ccncc3)CCc2c1
Oc1cccc2C(=O)\C(Cc12)=C\c1ccncc1
COc1ccc2C(=O)\C(Cc2c1)=C\c1ccncc1
COc1cccc2CC(Cc3ccncc3)Cc12
Oc1ccc2C(=O)\C(Cc2c1)=C\c1ccncc1
COc1ccc2CC(Cc3ccncc3)Cc2c1
COc1cccc2C(=O)C(Cc3ccncc3)Cc12
Oc1ccc2CCC(Cc3ccncc3)Cc2c1
C(C1Cc2ccccc2C1)c1ccncc1
O=C1C(Cc2ccncc2)Cc2ccccc12
O=C1\C(Cc2ccccc12)=C/c1ccncc1
COc1cccc2CC(Cc3ccncc3)CCc12
COc1ccc2CCC(Cc3ccncc3)Cc2c1
C(C1CCc2ccccc2C1)c1ccncc1
COc1cccc2C(=O)\C(Cc12)=C/c1ccncc1
Oc1cccc2C(=O)C(Cc3ccncc3)Cc12
COc1ccc2C(=O)\C(Cc2c1)=C/c1ccncc1
Oc1ccc2CC(Cc3ccncc3)Cc2c1
C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:22|
CC12CCC3C(C[C@@H](C4=CC(=O)CCC34C)c3ccccc3)C1CCC2=O |t:8|
CC12CCC3C(C[C@H](C4=CC(=O)CCC34C)c3ccccc3)C1CCC2=O |t:8|
CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:25|
CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24|
CC12CCC3C(C[C@@H](C#C)C4=CC(=O)CCC34C)C1CCC2=O |t:10|
CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:23|
CC(C)[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24|
CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:23|
CC12CCC3C(C[C@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O |t:16|
C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:22|
CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24|
CCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:25|
CC12CCC3C(C[C@@H](C=C)C4=CC(=O)CCC34C)C1CCC2=O |t:10|
CC(C)[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24|
CC12CCC3C(C[C@@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O |t:16|
Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
C=C(c1ccc(cc1)C#N)n1ccnc1
N#Cc1ccc2C(=CCCc2c1)n1ccnc1 |c:6|
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1ccnc1
N#Cc1ccc(cc1)C1(CCCc2cncn12)c1ccc(cc1)C#N
Brc1ccc(cc1)\N=C(/c1ccc(cc1)C#N)n1ccnc1
CCS(=O)(=O)NCc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C
O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13|
OC(C1CCc2ccccc2C1=O)c1cnccn1
O=C1\C(CCc2ccccc12)=C\c1ccsc1
O=C1\C(CCc2ccccc12)=C\c1cnccn1
O=C1\C(CCc2ccccc12)=C\c1cccnn1
O=C1\C(CCc2ccccc12)=C\c1ccnnc1
C1Cc2ccccc2C2C1C2c1ccccn1
O=C1\C(CCc2ccccc12)=C\c1ccccn1
C1Cc2ccccc2C2C1C2c1ccn[nH]1
C1Cc2ccccc2C2C1C2c1ccsc1
OC(C1CCc2ccccc2C1=O)c1ccncn1
O=C1\C(CCc2ccccc12)=C\c1cncs1
O=C1\C(CCc2ccccc12)=C\c1cccnc1
C1Cc2ccccc2C2C1C2c1ccccc1
C1Cc2ccccc2C2C1C2c1cccnc1
O=C1C(CCc2ccccc12)=Cc1ccn[nH]1 |w:11.13|
C1Cc2ccccc2C2C1C2c1cnc[nH]1
O=C1\C(CCc2ccccc12)=C\c1ccccc1
OC(C1CCc2ccccc2C1=O)c1cccnn1
OC(C1CCc2ccccc2C1=O)c1ccnnc1
Nc1ncc(\C=C2/CCc3ccccc3C2=O)s1
Fc1cc2nc(-c3cncnc3C(F)(F)F)n(C3CC3)c2cc1F
O=C(OCc1ccncc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:6.7.12,12:7:14:13.11.10,12:11:14:6.7.8,THB:8:7:13:14.9.10|
CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:9:10:14:7.8.13,13:8:15:14.12.11,13:12:15:7.8.9,THB:9:8:14:15.10.11|
C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12|
C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12|
C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |TLB:8:9:13:6.7.12,12:7:14:13.11.10,12:11:14:6.7.8,THB:8:7:13:14.9.10|
CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:9:10:14:7.8.13,13:8:15:14.12.11,13:12:15:7.8.9,THB:9:8:14:15.10.11|
O=C(OCc1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
O=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
O=C(NCc1ccncc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
Cc1ccc(cc1)S(=O)(=O)Nc1ccc2cc[nH]c2c1
O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccccc1
O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]ccc2c1
O=S(=O)(Cc1ccccc1)NCCc1c[nH]c2ccccc12
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CC#C)[C@@H]1CCC2=O |t:8|
CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O |t:11|
CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O |t:11|
CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O |t:11|
CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O |t:11|
Brc1ccc(\C=C(\Cn2ccnn2)c2ccc(Br)cc2)cc1
C(\C(=C/c1ccccc1)c1ccccc1)n1cncn1
C(C(Cn1ccnn1)c1ccccc1)c1ccccc1
Brc1ccc(\C=C(/Cn2ccnn2)c2ccc(Br)cc2)cc1
Brc1ccc(cc1)C(\Cn1ccnn1)=C\c1ccccc1
Clc1ccc(cc1)C(\Cn1ccnn1)=C\c1ccccc1
Brc1ccc(cc1)C(\Cn1ccnn1)=C/c1ccccc1
C(\C(=C/c1ccccc1)c1ccccc1)n1ccnn1
C(\C(=C\c1ccccc1)c1ccccc1)n1cncn1
Clc1ccc(\C=C(/Cn2ccnn2)c2ccc(Cl)cc2)cc1
Clc1ccc(cc1)C(\Cn1ccnn1)=C/c1ccccc1
C(\C(=C\c1ccccc1)c1ccccc1)n1ccnn1
Clc1ccc(\C=C(\Cn2ccnn2)c2ccc(Cl)cc2)cc1
Cc1[nH]c2ccccc2c1\C=N/Nc1ccc(Cl)cc1
Clc1ccc(cc1)C1Cn2cccc2C(=O)\C1=C/c1ccncc1
O=C1\C(=C/c2ccncc2)C(c2ccccc12)c1ccccc1
COc1ccc2C(=O)C(CC3=CCNC=C3)=C(N)c2c1 |c:14,t:10,16|
CC(=O)c1ccc(cc1)S(=O)(=O)NCc1cccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)c1
FC(F)(F)c1ccc(cc1)S(=O)(=O)NCc1cccc(CNS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1
Cc1ccc(cc1)S(=O)(=O)NCc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1
O=S(=O)(NCc1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1
Brc1ccc(cc1)S(=O)(=O)NCc1cccc(CNS(=O)(=O)c2ccc(Br)cc2)c1
O=S(=O)(NCc1cccc(CNS(=O)(=O)c2ccc(cc2)C#N)c1)c1ccc(cc1)C#N
[O-][N+](=O)c1cccc(c1)S(=O)(=O)NCc1cccc(CNS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1
Cc1cc(C)c(C)c(c1C)S(=O)(=O)NCc1ccc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1
O=S(=O)(NCc1ccc(CNS(=O)(=O)c2ccc(cc2)C#N)cc1)c1ccc(cc1)C#N
Clc1ccc(cc1)S(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
Cc1cc(C)c(C)c(c1C)S(=O)(=O)NCc1cccc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NCc1cccc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1
[O-][N+](=O)c1ccc(NC(=S)NCc2cccc(CNC(=S)Nc3ccc(cc3)[N+]([O-])=O)c2)cc1
COc1ccc(cc1)S(=O)(=O)NCc1cccc(CNS(=O)(=O)c2ccc(OC)cc2)c1
[O-][N+](=O)c1ccccc1S(=O)(=O)NCc1cccc(CNS(=O)(=O)c2ccccc2[N+]([O-])=O)c1
Fc1ccc(cc1)S(=O)(=O)NCc1cccc(CNS(=O)(=O)c2ccc(F)cc2)c1
Clc1ccc(NC(=S)NCc2cccc(CNC(=S)Nc3ccc(Cl)cc3)c2)cc1
COc1ccc(cc1)S(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1
Nc1cccc(c1)S(=O)(=O)NCc1cccc(CNS(=O)(=O)c2cccc(N)c2)c1
Clc1ccc(cc1)S(=O)(=O)NCc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2)c1
N#Cc1ccc(Cn2cc(Cn3ccnc3)c3ccccc23)cc1
Cn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc12
CCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc12
CCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2ccccc12
CCn1ccc2cc(ccc12)C(c1ccccc1)n1ccnc1
Cc1ccc(cc1)S(=O)(=O)n1cc(C(c2ccccc2)n2ccnc2)c2ccccc12
CCn1c(C(c2ccc(F)cc2)n2ccnc2)c(C)c2cc(Br)ccc12
Clc1ccccc1Cn1cc(Cn2ccnc2)c2ccccc12
CCn1ccc2cc(ccc12)C(c1ccc(F)cc1)n1ccnc1
OCCCNc1ccc(NCCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3
CC[C@H](Nc1cc(C)nc(Nc2cccc(O)c2)n1)c1nccs1 |r|
COC(=O)c1ccc(NCC2=CC(=O)c3ccccc3C2=O)cc1 |t:10|
N[C@@H]1CCN(Cc2cc(O)c3cc(F)ccc3n2)C[C@H]1O |r|
Oc1ccc(CCC(=O)NCc2csc(=O)[nH]2)cc1Cl
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CCCC[C@]12C |r,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C |r,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC=C)C2=CC(=O)CC[C@]12C |r,t:21|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)CC2=CC(=O)CC[C@]12C |r,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)CC2=CCCC[C@]12C |r,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)[C@@]2([H])C=CCC[C@]12C |r,c:21|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](CC=C)CC2=C(O)C(=O)CC[C@]12C |r,c:21|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC=C)C2=CCCC[C@]12C |r,t:21|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)CC[C@]12C |r,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC=C)C2=C(O)C(=O)CC[C@]12C |r,c:21|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](C)C[C@@]4([H])[C@]5([H])CCC(=O)[C@@]5(C)CC[C@]34[H])[C@]1([H])O2 |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC=C)C2=CC(=O)C=C[C@]12C |r,c:25,t:21|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](O)C2=CC(=O)CC[C@]12C |r,t:19|
Clc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1
Clc1ccc(cc1)C(C1Cc2ccccc2O1)n1cnnn1
Clc1ccc(C(C2Cc3ccccc3O2)n2cncn2)c(Cl)c1
Fc1ccc(cc1)C(C1Cc2ccccc2O1)n1cnnn1
Fc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1
Clc1ccc(C(C2Cc3ccccc3O2)n2cnnn2)c(Cl)c1
Cc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1
O=C1\C(=C\c2ccncc2)C(Oc2ccccc12)c1ccccc1
COc1ccc2C(=O)C(Cc3ccncc3)=C(N)c2c1 |t:16|
O=c1c2ccccc2oc2c(Cn3ccnc3)ccc(C#N)c12
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(Cc2ccccc2)=CC2=CC(=O)CC[C@]12C |r,c:24,t:26|
COc1ccc2C(=O)\C(=C\c3ccncc3)C(Oc2c1)c1ccccc1
Oc1ccc2[C@H](C[C@@H](Oc2c1)c1ccccc1)n1ccnc1 |r|
NS(=O)(=O)Oc1ccc2cc(CN(c3ccc(cc3)C#N)n3cnnc3)ccc2c1Br
NS(=O)(=O)Oc1ccc2cc(CN(c3ccc(cc3)C#N)n3cnnc3)ccc2c1Cl
[O-][N+](=O)c1ccc(cc1)N(Cc1ccc(Br)cc1)n1cnnc1
[O-][N+](=O)c1ccc(Cn2ccnc2)c2oc3ccccc3c(=O)c12
Oc1ccc(SCCN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
COc1ccc2[C@H](C[C@@H](Oc2c1)c1ccccc1)n1ccnc1 |r|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@@H]5O[C@@H]5CC[C@]34C)[C@@H]1CC[C@@H]2O |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(CCc2ccccc2)=CC2=CC(=O)CC[C@]12C |r,c:25,t:27|
NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)c(F)c1
[O-][N+](=O)c1ccc(cc1-c1ccccc1)N(Cc1ccccc1)n1cnnc1
[O-][N+](=O)c1cccc(CN(c2ccc(c(Br)c2)[N+]([O-])=O)n2cnnc2)c1
[O-][N+](=O)c1cccc(CN(c2ccc(c(c2)-c2ccccc2)[N+]([O-])=O)n2cnnc2)c1
[O-][N+](=O)c1ccc(cc1-c1ccccc1)N(Cc1cccc(c1)C#N)n1cnnc1
[O-][N+](=O)c1ccc(cc1-c1ccccc1)N(Cc1cccc(c1)C(F)(F)F)n1cnnc1
[O-][N+](=O)c1ccc(cc1Br)N(Cc1ccc(Cl)cc1)n1cnnc1
[O-][N+](=O)c1ccc(cc1Br)N(Cc1ccc(cc1)C(F)(F)F)n1cnnc1
[O-][N+](=O)c1ccc(cc1Br)N(Cc1ccccc1)n1cnnc1
[O-][N+](=O)c1ccc(Nn2cnnc2)cc1Br
[O-][N+](=O)c1ccc(cc1Br)N(Cc1ccccc1C#N)n1cnnc1
[O-][N+](=O)c1ccc(cc1Br)N(Cc1cccc(c1)C(F)(F)F)n1cnnc1
[O-][N+](=O)c1ccc(cc1-c1ccccc1)N(Cc1ccc(cc1)C(F)(F)F)n1cnnc1
[O-][N+](=O)c1ccc(cc1Br)N(Cc1cccc(c1)C#N)n1cnnc1
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1 |t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1 |r,t:7|
CCC#CCOc1cc(Cn2ccnc2)c2oc3ccccc3c(=O)c2c1
CCC#CCOc1cc(Cn2ccnc2)c2c(c1)oc1ccccc1c2=O
CCC#CCOc1ccc2c(c1)oc1cc(Cn3ccnc3)ccc1c2=O
O=c1ccoc2cc(Cn3cnnc3)ccc12
[O-][N+](=O)c1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
[O-][N+](=O)c1ccc(Cn2ccnc2)c2occc(=O)c12
O=c1c2ccccc2oc2cc(Cn3ccnc3)ccc12
Brc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
O=c1ccoc2cc(Cn3ccnc3)ccc12
Brc1ccc(Cn2ccnc2)c2oc3ccccc3c(=O)c12
O=c1ccoc2c(Cn3ccnc3)ccc(C#N)c12
COc1ccc2c(c1)oc(-c1ccccc1)c(Cn1ccnc1)c2=O
Brc1ccc(Cn2ccnc2)c2occc(=O)c12
O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)C#N
O=C1CC(Oc2ccccc12)c1ccccc1
COc1ccc2C(=O)\C(=C/c3ccncc3)C(Oc2c1)c1ccccc1
COc1ccc2C(=O)CC(Oc2c1)c1ccccc1
O=C1\C(=C/c2ccncc2)C(Oc2ccccc12)c1ccccc1
Oc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
COc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O
[#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
[#8]-c1ccc(cc1)-[#6](=[#6](\[#6]C#N)-c1ccccc1)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1ccnc1)-c1ccccc1)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1cncn1)-c1ccccc1)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](\[#6]C#N)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](\[#6]-n1ccnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](\[#6]-n1cncn1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](\[#6]-n1cnnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#6](\[#6]C#N)-c1ccc(-[#8])c(F)c1)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1ccnc1)-c1ccc(-[#8])c(F)c1)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1cncn1)-c1ccc(-[#8])c(F)c1)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1cnnc1)-c1ccc(-[#8])c(F)c1)\c1ccc(-[#8])cc1
[#7]-c1ccc(cc1)-[#6](\[#6]C#N)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#7]-c1ccc(cc1)-[#6](\[#6]-n1ccnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#7]-c1ccc(cc1)-[#6](\[#6]-n1cncn1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#7]-c1ccc(cc1)-[#6](\[#6]-n1cnnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1ccnc1)-c1cccc(-[#8])c1)\c1ccc(-[#8])cc1
[#7]-c1cccc(c1)-[#6](\[#6]-n1ccnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
CCN1CCc2cccc(C(c3ccc(F)cc3)n3cncn3)c12
CCN1CCc2cccc(C(c3ccc(F)cc3)n3ccnc3)c12
CCN1CCc2cc(Br)cc(C(c3ccc(F)cc3)n3ccnc3)c12
CCn1ccc2cccc(C(c3ccc(Br)cc3)n3ccnc3)c12
CCn1ccc2cccc(C(c3ccc(Cl)cc3)n3ccnc3)c12
CCN1CCc2cccc(C(c3cccc(Cl)c3)n3ccnc3)c12
CCn1ccc2cccc(C(c3cccc(Cl)c3)n3ccnc3)c12
CCN1CCc2cc(Cl)cc(C(c3ccc(F)cc3)n3ccnc3)c12
CCn1ccc2cccc(C(c3ccc(F)cc3)n3ccnc3)c12
CCn1ccc2cc(Br)cc(C(c3ccc(F)cc3)n3ccnc3)c12
CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
O=C(NCc1ccccc1)OC(Cn1ccnc1)c1ccccc1
Clc1ccc(NC(=O)OC(COc2ccccc2)Cn2ccnc2)cc1
O=S(=O)(Nc1ccc(cc1)\N=N\c1ccccc1)c1ccc(cc1)C#N
COc1ccc(c(OC)c1)S(=O)(=O)Nc1ccc(cc1)\N=N\c1ccccc1
COc1ccc(c(OC)c1)S(=O)(=O)N(Cc1nc2ccccc2[nH]1)c1ccc(cc1)\N=N\c1ccccc1
COc1ccc(cc1C(C)(C)C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Nc1ccc(\C=C\c2ccccc2)cc1
COc1cnc(NS(=O)(=O)c2ccc(N\C=C/C(=O)c3cc4ccccc4oc3=O)cc2)nc1
[H][C@@]12C[C@@H](O)c3cc(cc(O)c3[C@@]1(C)CCCC2(C)C)C(C)C |r|
[H][C@@]12CCC3=C[C@]4(C)O[C@@](O)(C[C@@H]4C)[C@]3([H])[C@@]1(C)CCCC2(C)C |r,t:4|
[H][C@@]12CCC3=C[C@@]4(OO[C@]3([C@H](C)O4)[C@@]1(C)CCCC2(C)C)C(C)(C)O |r,t:4|
[H][C@]12CC[C@](C)(C=C)C=C1CC[C@@]1([H])C(C)(C)CCC[C@]21C |r,c:8|
[H][C@@]12CCC3=C(C(=O)C[C@@](C)(C3)C=C)[C@@]1(C)CCCC2(C)C |r,t:4|
[H][C@@]12CCc3cc(cc(O)c3[C@@]1(C)CCCC2(C)C)C(C)C |r|
[#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1cccnc1
[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1cccnc1
CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1c[nH]cn1 |(43.14,-9.2,;43.14,-7.66,;41.8,-6.89,;41.8,-5.35,;40.47,-4.58,;39.13,-5.36,;37.8,-4.59,;37.8,-3.04,;36.46,-2.27,;39.13,-2.27,;40.46,-3.03,;43.13,-4.58,;44.46,-5.35,;45.79,-4.58,;45.79,-3.04,;47.12,-2.26,;44.45,-2.27,;43.12,-3.04,;40.48,-7.66,;39.07,-7.04,;38.04,-8.18,;38.81,-9.52,;40.32,-9.19,)|
CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1c[nH]cn1 |(61.39,-8.48,;60.06,-7.72,;60.06,-6.18,;58.72,-5.41,;57.38,-6.18,;56.05,-5.41,;56.05,-3.87,;54.72,-3.1,;57.38,-3.09,;58.72,-3.86,;61.39,-5.4,;62.72,-6.17,;64.05,-5.4,;64.05,-3.86,;65.38,-3.09,;62.7,-3.09,;61.38,-3.87,;58.73,-8.49,;57.32,-7.86,;56.3,-9.01,;57.07,-10.34,;58.57,-10.02,)|
[#6]-[#6]\[#6](-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#6]\[#6](-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#6]-[#6]\[#6](-[#6]-n1ccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#6]\[#6](-[#6]-n1ccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#6]-[#6]\[#6](-[#6]-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#6]\[#6](-[#6]-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
CCC(CCc1c[nH]cn1)=C(c1ccc(O)cc1)c1ccc(O)cc1 |(43.98,-41.54,;43.98,-40,;42.64,-39.23,;41.31,-40,;41.31,-41.54,;39.98,-42.32,;38.57,-41.7,;37.55,-42.85,;38.32,-44.18,;39.82,-43.86,;42.64,-37.69,;41.31,-36.92,;39.97,-37.7,;38.63,-36.93,;38.64,-35.38,;37.3,-34.61,;39.97,-34.61,;41.3,-35.37,;43.97,-36.92,;45.3,-37.69,;46.63,-36.92,;46.63,-35.38,;47.96,-34.6,;45.29,-34.61,;43.96,-35.38,)|
CC(CCc1c[nH]cn1)=C(c1ccc(O)cc1)c1ccc(O)cc1 |(63.34,-40.18,;62,-39.41,;60.67,-40.18,;60.67,-41.72,;59.34,-42.5,;57.93,-41.88,;56.91,-43.02,;57.68,-44.36,;59.18,-44.03,;62,-37.87,;60.67,-37.1,;59.33,-37.88,;57.99,-37.1,;58,-35.56,;56.66,-34.79,;59.32,-34.79,;60.66,-35.55,;63.33,-37.1,;64.66,-37.87,;65.99,-37.1,;65.99,-35.56,;67.32,-34.78,;64.65,-34.79,;63.32,-35.56,)|
COc1ccc2C(CC(Oc2c1)c1ccccc1)n1cncn1
COc1ccc2C(CC(Oc2c1)c1ccccc1)n1cnnc1
Oc1ccc2C(CC(Oc2c1)c1ccccc1)n1cncn1
Cc1c(-c2nocc2C(=O)SC#N)c(=O)n(-c2ccccc2)n1C |(3.98,-1.34,;2.45,-1.18,;1.68,.15,;2.31,1.56,;3.82,1.88,;3.98,3.41,;2.57,4.04,;1.54,2.89,;.01,3.05,;-.9,1.81,;-.62,4.46,;-2.15,4.62,;-3.68,4.78,;.18,-.17,;-.97,.86,;.02,-1.7,;-1.32,-2.47,;-2.65,-1.7,;-3.98,-2.47,;-3.98,-4.01,;-2.65,-4.78,;-1.32,-4.01,;1.42,-2.33,;1.74,-3.83,)|
C1=C(C(=O)NC(=O)N1)F
C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)C=C[C@]12C)Sc1ccc(N)cc1 |c:22,t:18|
COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
CCC#CCOc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
Oc1ccc2oc(cc2c1)C(c1ccc(Cl)cc1)n1cncn1
COc1ccc2oc(cc2c1)C(c1ccc(Cl)cc1)n1cncn1
CCC#CCOc1ccc2oc(cc2c1)C(c1ccc(Cl)cc1)n1cncn1
Oc1ccc(cc1)C(c1cc2cc(Cl)ccc2o1)n1cncn1
COc1ccc(cc1)C(c1cc2cc(Cl)ccc2o1)n1cncn1
CCC#CCOc1ccc(cc1)C(c1cc2cc(Cl)ccc2o1)n1cncn1
CCOc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
Clc1ccc(cc1)C(c1cc2ccc(OCC#C)cc2o1)n1cncn1
CC#CCOc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
Oc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1
CC#CCOc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1
CCC#CCOc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1
CC#CCOc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1
CCC#CCOc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1
CCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C
[H][C@@]12CC[C@@]([H])(C1)[C@]1(ON=C(c3cccnc3)[C@@]21[H])C(=O)Nc1ccc2[nH]ncc2c1 |r,t:10|
Fc1ccc(cc1)C(c1ccc2[nH]ccc2c1)n1ccnc1
Clc1ccc(cc1)C(c1ccc2[nH]ccc2c1)n1ccnc1
Clc1cccc(c1)C(c1ccc2[nH]ccc2c1)n1ccnc1
Cn1ccc2cc(ccc12)C(c1ccc(Cl)cc1)n1ccnc1
N#Cc1ccc(cc1)C(c1ccc2[nH]ccc2c1)n1ccnc1
COc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
CN(c1ccc(cc1OCC1CCCCC1)[N+]([O-])=O)S(C)(=O)=O
CCCCCCOc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
CS(=O)(=O)Nc1ccc(cc1OCC1CCCCC1)[N+]([O-])=O
CCCCCCCCCOc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
CCCCCCCCCOc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
COc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
CCCOc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
CCC(CC)Oc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
CS(=O)(=O)Nc1ccc(cc1OC1CCCC1)[N+]([O-])=O
CCC(CC)Oc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
CCCOc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
CN(c1ccc(cc1OC1CCCC1)[N+]([O-])=O)S(C)(=O)=O
CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]
CC(C)Oc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
CC(C)Oc1cc(ccc1NS(C)(=O)=O)[N+]([O-])=O
CCCCCCOc1cc(ccc1N(C)S(C)(=O)=O)[N+]([O-])=O
CN(c1ccc(cc1OC1CCCCC1)[N+]([O-])=O)S(C)(=O)=O
CCOC(=O)Cc1csc(N\N=C\c2ccc3cc(OC)ccc3c2)n1
COc1ccc2cc(\C=N\NC3=NC(=O)CS3)ccc2c1 |t:11|
COc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1
COc1ccc2c(c1)oc(-c1ccc(cc1)[N+]([O-])=O)c(Cn1ccnc1)c2=O
Brc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1
O=c1c(Cn2ccnc2)c(oc2ccccc12)-c1ccc(cc1)C#N
COc1ccc2c(c1)oc(-c1ccc(cc1)C#N)c(Cn1ccnc1)c2=O
COc1ccc2c(c1)oc(-c1ccc(Br)cc1)c(Cn1ccnc1)c2=O
O=c1c(Cn2ccnc2)c(oc2ccccc12)-c1ccccc1
[O-][N+](=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1
COc1ccc2cc(oc2c1)C(O)(c1ccc(Br)cc1)c1cccnc1
COc1ccc2cc(oc2c1)C(O)(c1cccnc1)c1ccc(Cl)cc1Cl
CC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(F)cc1)c1cccnc1
CC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(Cl)cc1)c1cccnc1
CC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(Br)cc1)c1cccnc1
CC#CCOc1ccc2cc(oc2c1)C(O)(c1cccnc1)c1ccc(Cl)cc1Cl
CCC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(F)cc1)c1cccnc1
CCC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(Cl)cc1)c1cccnc1
CCC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(Br)cc1)c1cccnc1
CCC#CCOc1ccc2cc(oc2c1)C(O)(c1cccnc1)c1ccc(Cl)cc1Cl
COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Oc1ccc(\C=C\c2cc(O)cc(OCc3ccccc3)c2)cc1
COc1ccc(\C=C\c2ccccc2OC)cc1OC
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4CCC[C@]35C)[C@@H]1CCC2=O |r|
COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1cccc(c1)-n1cc(COc2ccc3ccccc3c2)nn1
CCC#CCOc1ccc(cc1)C(=O)c1ccc(Cn2ccnc2)cc1
O=C(c1ccc(Cn2ccnc2)cc1)c1ccc(OCC#C)cc1
CCCCCOc1ccc(cc1)C(=O)c1ccc(Cn2ccnc2)cc1
CCCOc1ccc(cc1)C(=O)c1ccc(Cn2ccnc2)cc1
CCC#CCOc1ccc(cc1)C(=O)c1cccc(Cn2ccnc2)c1
O=C(c1ccc(OCC#C)cc1)c1cccc(Cn2ccnc2)c1
CCCCCOc1ccc(cc1)C(=O)c1cccc(Cn2ccnc2)c1
CCCOc1ccc(cc1)C(=O)c1cccc(Cn2ccnc2)c1
COc1ccc(cc1)C(=O)c1cccc(Cn2ccnc2)c1
Oc1ccc(cc1)C(=O)c1cccc(Cn2ccnc2)c1
COc1ccc(cc1)C(=O)c1ccc(Cn2ccnc2)cc1
Oc1ccc(cc1)C(=O)c1ccc(Cn2ccnc2)cc1
O=C(c1ccc(Cn2ccnc2)cc1)c1ccc(cc1)-c1ccccc1
O=C(c1ccccc1)c1ccc(Cn2ccnc2)cc1
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:24:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1C(F)(F)F)c1ccc(cc1)-n1ccnc1 |t:8,TLB:28:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(c1)C(F)(F)F)c1ccc(cc1)-n1ccnc1 |t:8,TLB:28:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(cc1)C(F)(F)F)c1ccc(cc1)-n1ccnc1 |t:8,TLB:28:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1Br)c1ccc(cc1)-n1ccnc1 |t:8,TLB:25:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(Br)c1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:25:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1cccc(Br)c1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:25:8:13:10.11,THB:4:7:13:10.11,14:11:13:7.8|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(Br)cc1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:25:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc2ccccc12)c1ccc(cc1)-n1ccnc1 |t:8,TLB:28:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc2ccccc2c1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:28:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
COc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(cc2)-n2ccnc2)cc1 |c:16,TLB:17:16:13:11.10,7:10:13:15.16,THB:24:15:13:11.10|
Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(cc2)-n2ccnc2)cc1 |c:15,TLB:16:15:12:10.9,6:9:12:14.15,THB:23:14:12:10.9|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(F)cc1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:25:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(F)cc1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:25:8:13:10.11,THB:4:7:13:10.11,14:11:13:7.8|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(cc1)C(F)(F)F)c1ccc(cc1)-n1cncn1 |t:8,TLB:28:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(Br)cc1)c1ccc(cc1)-n1cncn1 |t:8,TLB:25:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(Cl)cc1)c1ccc(cc1)-n1cncn1 |t:8,TLB:25:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
COc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(cc2)-n2cncn2)cc1 |c:16,TLB:17:16:13:11.10,7:10:13:15.16,THB:24:15:13:11.10|
Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(cc2)-n2cncn2)cc1 |c:15,TLB:16:15:12:10.9,6:9:12:14.15,THB:23:14:12:10.9|
Cn1cc(cn1)-c1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(cc1)C(F)(F)F)c1ccc(O)cc1 |t:14,TLB:33:13:18:15.16,THB:19:16:18:12.13,9:12:18:15.16|
COc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(cc2)-c2cnn(C)c2)cc1 |c:16,TLB:7:10:13:15.16,17:16:13:11.10,THB:24:15:13:11.10|
CN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1ccnc1 |c:18,TLB:18:17:14:12.11,8:11:14:16.17,THB:25:16:14:12.11|
COc1ccc(cc1)N(C)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1ccnc1 |c:20,TLB:20:19:16:14.13,10:13:16:18.19,THB:27:18:16:14.13|
CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1ccnc1 |c:19,TLB:19:18:15:13.12,9:12:15:17.18,THB:26:17:15:13.12|
CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1ccnc1 |c:21,TLB:21:20:17:15.14,11:14:17:19.20,THB:28:19:17:15.14|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)N(CC(F)(F)F)c1ccccc1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:29:8:10:12.13,THB:14:13:10:8.7,4:7:10:12.13|
COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1ccnc1 |c:24,TLB:24:23:20:18.17,14:17:20:22.23,THB:31:22:20:18.17|
Cn1cc(cn1)-c1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)N(CC(F)(F)F)c1ccccc1)c1ccc(O)cc1 |t:14,TLB:34:13:18:15.16,THB:19:16:18:12.13,9:12:18:15.16|
COc1ccc(cc1)N(C)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1cncn1 |c:20,TLB:20:19:16:14.13,10:13:16:18.19,THB:27:18:16:14.13|
CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1cncn1 |c:19,TLB:19:18:15:13.12,9:12:15:17.18,THB:26:17:15:13.12|
CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1cncn1 |c:21,TLB:21:20:17:15.14,11:14:17:19.20,THB:28:19:17:15.14|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)N(CC(F)(F)F)c1ccccc1)c1ccc(cc1)-n1cncn1 |t:8,TLB:29:8:10:12.13,THB:14:13:10:8.7,4:7:10:12.13|
COc1cc(O)c2C(=O)[C@H]3[C@@H](O)C[C@H](C)[C@H](O)[C@@]3(C)Oc2c1
CN(c1ccc(cc1OCc1ccccc1-c1ccccc1)[N+]([O-])=O)S(C)(=O)=O
CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]
CN(c1ccc(cc1OCc1ccc2ccccc2c1)[N+]([O-])=O)S(C)(=O)=O
CN(c1ccc(cc1OCc1ccc(C)cc1)[N+]([O-])=O)S(C)(=O)=O
CN(c1ccc(cc1OCc1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O)S(C)(=O)=O
CN(c1ccc(cc1OCc1ccc(F)cc1)[N+]([O-])=O)S(C)(=O)=O
CN(c1ccc(cc1OCc1ccccc1)[N+]([O-])=O)S(C)(=O)=O
O=C(c1ccccc1)c1ccccc1Cn1ccnc1
O=C(c1ccccc1)c1cccc(Cn2ccnc2)c1
[O-][N+](=O)c1ccc(Cn2ccnc2)cc1C(=O)c1ccccc1
Brc1ccc(Cn2ccnc2)c(c1)C(=O)c1ccccc1
O=C(c1ccc(cc1)-c1ccccc1)c1cccc(Cn2ccnc2)c1
O=C(c1ccc(cc1)-c1ccccc1)c1ccccc1Cn1ccnc1
[O-][N+](=O)c1ccc(Cn2ccnc2)c(c1)C(=O)c1ccc(cc1)-c1ccccc1
[O-][N+](=O)c1ccc(Cn2ccnc2)c(c1)C(=O)c1ccccc1
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1nccn1
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1ccnn1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5cncn5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](NC(=O)COCCOCCOCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(-n4ccnc4)cc2)=C3c2ccc(O)cc2)cc1
O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCOc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(-n4ccnc4)cc2)=C3c2ccc(O)cc2)cc1
COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |c:24,TLB:24:23:17.18:20,14:17:23.22:20,THB:31:22:17.18:20|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H]
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
CCOC(=O)C(=O)Nc1ccc(C(C)=C(c2ccccc2)c2ccccc2)cc1
CC(=C(c1ccccc1)c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1
CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2ccccc2)c2ccccc2)cc1
CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2cccc(Br)c2)c2ccccc2)cc1
CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2ccccc2OC)c2ccccc2)cc1
CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2ccc(OC)cc2)c2ccccc2)cc1
CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2ccc(Cl)cc2)c2ccccc2)cc1
C/C(=C(c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1)c1ccccc1
C/C(=C(c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1)c1cccc(Br)c1
COc1ccccc1/C(C)=C(/c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1
COc1ccc(/C(C)=C(/c2ccccc2)c2ccc(NC(=O)C(=O)O)cc2)cc1
C/C(=C(c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1)c1ccc(Cl)cc1
CCOC(=O)C(=O)c1cn(CCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12
CCOC(=O)C(=O)c1cn(CCCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12
CCOC(=O)C(=O)c1cn(CCCCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12
CCOC(=O)C(=O)c1cn(CCCCCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12
CCOC(=O)C(=O)c1cn(CCCCCCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12
CC(=C(c1ccccc1)c1ccc(NCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1
CC(=C(c1ccccc1)c1ccc(NCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1
CC(=C(c1ccccc1)c1ccc(NCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1
CC(=C(c1ccccc1)c1ccc(NCCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1
CCOC(=O)C(=O)c1cn(CCCCNc2ccc(/C(=C(/C)c3cccc(Br)c3)c3ccccc3)cc2)c2ccccc12
CCOC(=O)C(=O)c1cn(CCCCCNc2ccc(/C(=C(/C)c3cccc(Br)c3)c3ccccc3)cc2)c2ccccc12
CCOC(=O)C(=O)c1cn(CCCCNc2ccc(/C(=C(/C)c3ccccc3OC)c3ccccc3)cc2)c2ccccc12
CCOC(=O)C(=O)c1cn(CCCCCNc2ccc(/C(=C(/C)c3ccccc3OC)c3ccccc3)cc2)c2ccccc12
C/C(=C(c1ccccc1)c1ccc(NCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1cccc(Br)c1
C/C(=C(c1ccccc1)c1ccc(NCCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1cccc(Br)c1
COc1ccccc1/C(C)=C(/c1ccccc1)c1ccc(NCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1
COc1ccccc1/C(C)=C(/c1ccccc1)c1ccc(NCCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
C[n+]1ccc(/C=C/c2cc3c(O)c(c2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5ccccc54)nn2)Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5ccccc54)nn2)C3)cc1
C[n+]1ccc(/C=C/c2cc3c(O)c(c2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(F)ccc54)nn2)Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(F)ccc54)nn2)C3)cc1
C[n+]1ccc(/C=C/c2cc3c(O)c(c2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(Cl)ccc54)nn2)Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(Cl)ccc54)nn2)C3)cc1
C[n+]1ccc(/C=C/c2cc3c(O)c(c2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(Br)ccc54)nn2)Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(Br)ccc54)nn2)C3)cc1
C[n+]1ccc(/C=C/c2cc3c(O)c(c2)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(I)ccc54)nn2)Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(I)ccc54)nn2)C3)cc1
Cc1ccc2c(c1)C(=O)C(=O)N2Cc1cn(CCCOc2c3cc(C(C)(C)C)cc2Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)Cc2cc(C(C)(C)C)cc(c2OCCCn2cc(CN4C(=O)C(=O)c5cc(C)ccc54)nn2)Cc2cc(/C=C/c4cc[n+](C)cc4)cc(c2O)C3)nn1
CC1=C[C@H]2C3[C@H](C1)c1ccc(O)cc1O[C@]3(Oc1cc(cc(O)c21)-c1cc2ccc(O)cc2o1)c1ccc(O)cc1O |r,t:1|
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc2cc(oc2cc1-[#8])-c1cc(-[#8])cc(-[#8])c1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
COc1ccc(CCCc2ccc(O)cc2)c(O)c1
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2c(=O)c1-[#8]
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1-[#8] |r|
Oc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1oc2cc(-[#8])cc(-[#8])c2c(=O)c1-[#8]
CC(C)(O)C1Cc2c(O1)ccc1C(=O)C[C@H](Oc21)c1ccc(O)cc1O |r|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])cc1-c1cc2ccc(-[#8])cc2o1
C\C(COC(=O)\C=C\c1ccc(O)cc1)=C/Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2O)c1O
COc1cc(\C=C\C(=O)OC\C(C)=C\Cc2c(O)ccc(C(=O)\C=C\c3ccc(O)cc3O)c2O)ccc1O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2c(cc(-[#8])cc2=O)oc1-c1ccc(-[#8])cc1-[#8]
CCCCCCCC\C=C/CCCCCCCC(=O)O
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
CCC=CCC=CC\C=C/CCCCCCCC(=O)O
CCCCC\C=C/C\C=C/CCCCCCCC(=O)O
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)NCCCN1CCN(CCCN)CC1 |r,c:9|
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)NCCCN1CCN(CCCN)CC1 |r,c:9|
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC#N)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(N=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]-[#6]C([#6])([#6])[#8]
[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
N#Cc1ccc(cc1)C(c1ccc2cc[nH]c2c1)n1ccnc1
N#Cc1ccc(cc1)C(c1cccc2[nH]ccc12)n1cncn1
N#Cc1ccc(cc1)C(c1cccc2[nH]ccc12)n1ccnc1
N#Cc1ccc(cc1)C(c1ccc2cc[nH]c2c1)n1cncn1
COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cccnc2)cc1
C(N(Cc1cccc2ccsc12)n1ccnc1)c1ccccc1
Clc1ccc(CN(Cc2ccc(Cl)cc2Cl)n2ccnc2)s1
Clc1ccc(CN(Cc2ccccc2)n2ccnc2)s1
Clc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)s1
CC(C)(C)c1ccc(CN(Cc2cccs2)n2cncn2)cc1
CC(C)(C)c1ccc(CN(CC\C=C\c2ccccc2)n2cncn2)cc1
Clc1ccc(CN(CC\C=C\c2ccccc2)n2cncn2)c(Cl)c1
C(CN(Cc1cccc2ccccc12)n1cncn1)\C=C\c1ccccc1
Fc1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)c(F)c1
Clc1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)c(Cl)c1
COc1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
COc1ccccc1CC(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
Fc1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
Cc1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
Fc1ccccc1CC(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
Clc1ccccc1CC(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
Cc1ccccc1CC(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
C(C(Cc1ccc(cc1)-c1ccccc1)n1ccnc1)c1ccccc1
CC(C)(C)c1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
CC(C)(C)c1ccc(CN(Cc2cccs2)n2ccnc2)cc1
CC(C)(C)c1ccc(CN(Cc2ccc(Cl)cc2Cl)n2ccnc2)cc1
Fc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)c(F)c1
Clc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)c(Cl)c1
COc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
COc1ccccc1CN(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
Fc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
Clc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
Cc1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
Fc1ccccc1CN(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
Clc1ccccc1CN(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
Cc1ccccc1CN(Cc1ccc(cc1)-c1ccccc1)n1ccnc1
C(N(Cc1ccc(cc1)-c1ccccc1)n1ccnc1)c1ccccc1
CC(C)(C)c1ccc(CN(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)cc1
Clc1ccc(CN(Cc2cccc3ccccc23)n2ccnc2)c(Cl)c1
CC(C)(C)c1ccc(CN(Cc2cccc3ccccc23)n2ccnc2)cc1
Clc1ccc(CC(Cc2ccccc2)n2ccnc2)s1
Clc1ccc(CC(Cc2ccc(cc2)-c2ccccc2)n2ccnc2)s1
Clc1ccc(CN(Cc2cccc3ccsc23)n2ccnc2)c(Cl)c1
Oc1cc2OCOc2cc1C(c1ccc(F)cc1)n1ccnc1
[O-][N+](=O)c1ccc2n(Cc3ccccc3)c(C=O)c(Cn3ccnc3)c2c1
Cc1nc2ccc(Cl)c(-n3ccnc3)c2cc1CCn1ccnc1
COc1ccc(cc1)-c1cnnn1Cc1ccco1
c1ccc(cc1)-c1cc(nc(c1)-c1cccnc1)-c1cccnc1
COc1ccc2nc3cc(Cl)ccc3c(Nc3cccnc3)c2c1
COc1ccc2c(Cc3ccc(O)cc3)cncc2c1O
COc1ccc2c(Cc3cccc(c3)[N+]([O-])=O)cncc2c1O
[O-][N+](=O)c1ccc2n(CCc3ccncc3)c(nc2c1)-c1ccccn1
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(Cl)cc1)-c1cccnc1
COc1ccc(cc1)C(N=Nc1cnnc(Cl)c1Cl)c1ccccc1 |w:9.9|
[O-][N+](=O)c1cccc(Cc2nncc3ccccc23)c1
[O-][N+](=O)c1ccc(cc1)[C@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
[O-][N+](=O)c1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
COc1ccc(cc1)-c1cc2c(O)cc(=O)oc2cc1SCc1ccncc1
COc1ccc(cc1)C(Cn1ccnc1)Sc1ccc(Cl)c(Cl)c1
Oc1cc2OCOc2cc1C(c1ccc2OCOc2c1)n1ccnc1
COc1ccc(cc1)C(c1cc2OCOc2cc1O)n1ccnc1
C[C@]12CCC3C(C1CCC2=O)[C@H](CCc1ccccc1)CC1=CC(=O)CC[C@]31C |t:24|
C[C@]12CCC3C(C1CCC2=O)[C@H](Cc1ccccc1)CC1=CC(=O)CC[C@]31C |t:23|
C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)C=C[C@]31C)Sc1ccc(N)cc1 |c:19,t:15|
C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(N)cc1 |t:15|
CC12CCC3C(Cc4c5c(nn4Cc4ccccc4)C(=O)CCC35C)C1CCC2=O
CC12CCC3C(Cc4c5c(nn4C\C=C\c4ccccc4)C(=O)CCC35C)C1CCC2=O
CC12CCC3C(Cc4[nH]nc5c4C3(C)CCC5=O)C1CCC2=O
CC12CCC3C(Cc4nn(Cc5ccc(cc5)[N+]([O-])=O)c5c4C3(C)CCC5=O)C1CCC2=O
CC12CCC3C(Cc4nn(C\C=C\c5ccccc5)c5c4C3(C)CCC5=O)C1CCC2=O
CC12CCC3C(Cc4c5c(nn4Cc4ccc(cc4)[N+]([O-])=O)C(=O)CCC35C)C1CCC2=O
CC12CCC3C(Cc4nn(Cc5ccccc5)c5c4C3(C)CCC5=O)C1CCC2=O
[O-][N+](=O)c1ccc(Cn2ccnc2)cc1
Fc1ccc(Cn2ccnc2)cc1
Clc1ccc(Cn2ccnc2)cc1
N#Cc1ccc(Cn2ccnc2)cc1
Cc1ccc(Cn2ccnc2)cc1
[#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1-[#8]
C[C@H]1CC(=O)O[C@H]1[C@@]1(C)CC(=O)c2c(O)c(ccc2O1)-c1c(C)cc(O)c2C(=O)C[C@](C)(Oc12)[C@@H]1OC(=O)C[C@H]1O |r,wU:6.7,1.0,34.38,wD:39.45,30.33,7.8,(-4.23,-9.24,;-5.36,-8.2,;-6.87,-8.51,;-7.63,-7.18,;-9.16,-7.01,;-6.6,-6.04,;-5.18,-6.67,;-3.84,-5.9,;-2.51,-6.67,;-5.17,-5.14,;-5.18,-3.61,;-6.51,-2.84,;-3.86,-2.84,;-3.86,-1.29,;-5.19,-.52,;-2.52,-.52,;-1.19,-1.28,;-1.18,-2.82,;-2.52,-3.6,;-2.51,-5.13,;-2.52,1.02,;-3.85,1.78,;-5.18,1.01,;-3.85,3.32,;-2.52,4.1,;-2.52,5.64,;-1.19,3.32,;.14,4.09,;.14,5.63,;1.47,3.31,;1.46,1.77,;1.45,.23,;.12,1.01,;-1.2,1.78,;2.79,2.54,;4.19,1.91,;5.22,3.05,;6.75,2.89,;4.45,4.38,;2.95,4.06,;1.81,5.09,)|
C[C@H]1CC(=O)O[C@H]1[C@@]1(C)CC(=O)c2c(O)c(ccc2O1)-c1c(C)cc2O[C@@](C)(CC(=O)c2c1O)[C@@H]1OC(=O)C[C@H]1O |r,wU:1.0,6.7,34.38,wD:7.8,26.29,39.45,(12.51,.38,;13.97,.87,;14.44,2.34,;15.98,2.35,;16.88,3.6,;16.47,.88,;15.22,-.03,;15.23,-1.57,;13.91,-2.35,;16.56,-.79,;17.89,-1.57,;19.23,-.81,;17.89,-3.11,;19.21,-3.88,;20.55,-3.12,;19.2,-5.42,;17.86,-6.18,;16.55,-5.4,;16.56,-3.87,;15.23,-3.11,;20.53,-6.2,;20.51,-7.74,;19.16,-8.5,;21.83,-8.52,;23.17,-7.76,;24.49,-8.54,;25.82,-7.79,;25.81,-9.34,;25.84,-6.26,;24.52,-5.47,;24.54,-3.93,;23.19,-6.23,;21.86,-5.44,;21.88,-3.89,;27.15,-7.03,;28.56,-7.65,;29.59,-6.51,;31.12,-6.67,;28.82,-5.17,;27.31,-5.49,;26.17,-4.46,)|
C[C@@H]1[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2C2(C)CCC(=O)C=C1O2 |r,t:21|
Cc1nc-2c(cc1C#N)C(Nc1ccc(Cl)cc1)Oc1ccc(cc-21)[N+]([O-])=O
CCC(\C(CC)=C1/SC(=O)C=C1)c1ccc(OC(C)=O)cc1 |c:10|
CC1C(O)CC23COC(=O)C2=CCCC3C1(C)CCC1=CC(=O)OC1 |c:11,t:22|
CCCC(=O)Oc1cc(OC(=O)CCC)c2c(C)cc(=O)oc2c1
CC1C2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:21|
O[C@@H](COC(=O)C(Cc1ccc(O)cc1)N=O)[C@H](O)COC(=O)C(Cc1ccc(O)cc1)N=O |r|
OC(c1ccncc1)c1ccc(cc1)-c1ccc(O)cc1
Nc1ccc(cc1)-c1ccc(Cc2ccncc2)cc1
Nc1cccc(c1)-c1ccc(Cc2ccncc2)cc1
Nc1ccc(cc1N)-c1ccc(Cc2ccncc2)cc1
Oc1cccc(c1)-c1ccc(Cc2ccncc2)cc1
Oc1ccc(cc1O)-c1ccc(Cc2ccncc2)cc1
Oc1ccc(cc1F)-c1ccc(Cc2ccncc2)cc1
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C=CCC[C@]34C)[C@@H]1CCC2=O |r,c:9|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C=CCC[C@]34C)[C@@H]1CC[C@@H]2O |r,c:9|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@@H]5O[C@@H]5CC[C@]34C)[C@@H]1CCC2=O |r|
C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:8|
C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:9|
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:9|
CCCC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1 |r,c:6|
CCCCCC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1 |r,c:8|
C[C@]12CC[C@H]3[C@@H](CCC4=C(CCC[C@]34C)OC(=O)c3ccccc3)[C@@H]1CCC2=O |r,t:8|
CC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1 |r,c:4|
CC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(CO)CCC1 |r,c:4|
C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:9|
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CCCC[C@]34CO)[C@@H]1CCC2=O |r,t:9|
C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](O)CCC[C@@]34C)[C@@H]1CCC2=O |r,t:7|
CC(=O)OC1CCC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:24|
CC(=O)OC1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:24|
CC(=O)OC1CCC[C@]2(CO)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:25|
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H](O)CCC[C@@]34C)[C@@H]1CCC2=O |r,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H](O)CCC[C@]34CO)[C@@H]1CCC2=O |r,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](O)CCC[C@]34CO)[C@@H]1CCC2=O |r,t:7|
CO[C@H]1CCC[C@]2(CO)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:23|
C[C@H]1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:21|
CC[C@H]1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:22|
CCC[C@H]1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12 |r,t:23|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)CCC[C@]34C)[C@@H]1CCC2=O |r|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)[C@H](O)CC[C@]34C)[C@@H]1CCC2=O |r|
C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC(=O)O2 |r|
C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@@]34C)[C@@H]1CCC2=O |r,t:7|
NS(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N
c1cc(c(cc1Cn2cncn2)c3ccc(c(c3)Cl)OS(=O)(=O)N)C#N
NS(=O)(=O)Oc1ccc(cc1)-c1cc(ccc1C#N)N(Cc1ccccc1)n1cnnc1
NS(=O)(=O)Oc1ccc(cc1)-c1cc(ccc1C#N)N(Cc1ccc(Br)cc1)n1cnnc1
NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccccc2)n2cnnc2)cc1
NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccccc2)n2cnnc2)cc1F
NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccccc2)n2cnnc2)cc1Cl
NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccccc2)n2cnnc2)cc1Br
COc1ccc(cc1)-c1cc(ccc1C#N)N(Cc1ccc(OS(N)(=O)=O)cc1)n1cnnc1
NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccc(F)cc2)n2cnnc2)cc1
NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccc(cc2)C#N)n2cnnc2)cc1
OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
OC[C@@]1(O)CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@H]2OCCc2ccc(O)c(O)c2)[C@@H]1O |r|
OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O |r|
O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O |r|
Fc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Clc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
FC(F)(F)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Fc1cc(F)cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Fc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1F
Fc1cccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Clc1cccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
COc1cccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Cc1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Clc1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
O=c1cc(Cn2ccnc2)c2ccc(Oc3ccc(cc3)C#N)cc2o1
CC(=O)c1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
CN(C)c1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Fc1cc(F)cc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Fc1ccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1F
O=c1cc(Cn2ccnc2)c2ccc(Nc3ccccc3)cc2o1
Oc1ccc2c(Cn3ccnc3)cc(=O)oc2c1
COc1ccc2c(cc(=O)oc2c1)C(c1ccccc1)n1ccnc1
O=c1cc(C(c2ccccc2)n2ccnc2)c2ccc(Oc3ccccc3)cc2o1
Fc1ccc(Oc2ccc3c(cc(=O)oc3c2)C(c2ccccc2)n2ccnc2)cc1F
Clc1ccc(cc1)C(c1cc(=O)oc2cc(Oc3ccccc3)ccc12)n1ccnc1
O=c1cc(C(c2ccc(cc2)C#N)n2ccnc2)c2ccc(Oc3ccccc3)cc2o1
O=c1oc2cc(Oc3ccccc3)ccc2cc1C(c1ccccc1)n1ccnc1
Cc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Fc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Clc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
FC(F)(F)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
FC(F)(F)Oc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
[O-][N+](=O)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
O=C1CC(Oc2c1ccc1ccccc21)c1ccccc1
O=C1CC(Oc2c1ccc1ccccc21)c1ccc(cc1)C#N
Oc1ccc(cc1)C1CC(=O)c2ccc3ccccc3c2O1
C1C(Oc2c(ccc3ccccc23)C1n1ccnc1)c1ccccc1
N#Cc1ccc(cc1)C1CC(c2ccc3ccccc3c2O1)n1ccnc1
Oc1ccc(cc1)C1CC(c2ccc3ccccc3c2O1)n1ccnc1
Clc1ccc(C(=O)C(=Cc2ccccc2)n2cncn2)c(Cl)c1 |w:8.8|
COc1ccc(cc1)C(=O)OC(COc1ccccc1)Cn1ccnc1
O=S(=O)(NCCCn1ccnc1)c1ccc2OCCOc2c1
OC(COc1ccc2c3CCCc3c(=O)oc2c1)Cn1cncn1
COc1cc(CC(=O)N2CCOC(Cn3ccnc3)C2)cc(OC)c1OC
COc1ccc2C(=O)CC3(CCN(CC3)C(=O)Cn3cncn3)Oc2c1
O=C(Cn1cncn1)NC(CCc1ccccc1)c1ccc2OCCOc2c1
CCc1[nH]c2ccc(cc2c1C)C(=O)NCC(C)n1cncn1
CC(CNC(=O)c1cc2CCCCCc2[nH]c1=O)n1cncn1
Cc1ncc(CNc2ccc(OCC(O)Cn3ccnc3)cc2)cn1
O=C(CCn1ccnc1)NC[C@H]1CC[C@@H](CC1)c1ncncc1-c1ccccn1 |r,wU:11.11,wD:14.18,(3.26,3.98,;3.26,2.44,;4.59,1.67,;5.93,2.44,;7.26,1.67,;8.66,2.3,;9.69,1.16,;8.92,-.18,;7.41,.15,;1.93,1.67,;.59,2.44,;-.74,1.67,;-.74,.13,;-2.07,-.64,;-3.41,.13,;-3.41,1.67,;-2.08,2.44,;-4.74,-.65,;-6.08,.12,;-7.41,-.65,;-7.41,-2.2,;-6.07,-2.97,;-4.74,-2.2,;-3.41,-2.96,;-2.08,-2.19,;-.75,-2.95,;-.74,-4.5,;-2.08,-5.27,;-3.41,-4.51,)|
Fc1ccc(Oc2ccccc2NC(=O)Cn2ccnc2)cc1
COc1ccc(cc1F)C(C)NC(=O)c1ccccc1Cn1cncn1
COc1cc2OCCCOc2cc1-c1cncn1CCCn1ccnc1C
COc1ccc(cc1)S(=O)(=O)N1CCOC(Cn2ccnc2)C1
CC(=O)c1ccc(cc1)S(=O)(=O)N1CCOC(Cn2ccnc2)C1
Cc1ccc(cc1[N+]([O-])=O)C(=O)NCCCn1ccnc1
Cc1ccc(cn1)C(=O)NCCCn1ccnc1
CCOc1ccc(c2ccccc12)S(=O)(=O)NCCCn1ccnc1
Cc1cc(C)c(cc1C)S(=O)(=O)NCCCn1ccnc1
COc1ccc(cc1C)S(=O)(=O)NCCCn1ccnc1
COc1cc(Cl)c(cc1Cl)S(=O)(=O)NCCCn1ccnc1
COc1ccc(cc1C(C)(C)C)S(=O)(=O)NCCCn1ccnc1
CS(=O)(=O)N(CC=C)c1ccc(cc1)C(=O)NCCCn1ccnc1
COc1ccc(cc1F)S(=O)(=O)NCCCn1ccnc1
CC(C)(C(=O)Nc1ccccc1Oc1ccc(F)cc1)n1cncn1
Fc1ccc(CC(=O)N2CCOC(Cn3ccnc3)C2)cc1
O=C(Cc1ccc2OCOc2c1)N1CCOC(Cn2ccnc2)C1
CC1(C)Oc2ccc(cc2NC1=O)S(=O)(=O)NCCCn1ccnc1
CCCc1cn(nn1)C(c1ccc(cc1)C#N)c1ccc(cc1)C#N
CCCCCCc1cn(nn1)C(c1ccc(cc1)C#N)c1ccc(cc1)C#N
CCCCCCCc1cn(nn1)C(c1ccc(cc1)C#N)c1ccc(cc1)C#N
CCCCCCCCCCc1cn(nn1)C(c1ccc(cc1)C#N)c1ccc(cc1)C#N
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cc(nn1)C1CCCCC1
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cc(nn1)-c1ccccc1
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cc(COc2ccccc2)nn1
Clc1ccc(OCc2cn(nn2)C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)cc1
N#Cc1ccc(OCc2cn(nn2)C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)cc1
[O-][N+](=O)c1ccc(OCc2cn(nn2)C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)cc1
Cc1ccc(OCc2cn(nn2)C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)cc1
COc1ccc(OCc2cn(nn2)C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)cc1
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cc(COc2ccc(cc2)-c2ccccc2)nn1
c1cn(nn1)C(c1ccccc1)c1ccccc1
CCCc1cn(nn1)C(c1ccccc1)c1ccccc1
CCCCCCc1cn(nn1)C(c1ccccc1)c1ccccc1
CCCCCCCc1cn(nn1)C(c1ccccc1)c1ccccc1
CCCCCCCCCCc1cn(nn1)C(c1ccccc1)c1ccccc1
C1CCC(CC1)c1cn(nn1)C(c1ccccc1)c1ccccc1
c1c(nnn1C(c1ccccc1)c1ccccc1)-c1ccccc1
C(Oc1ccccc1)c1cn(nn1)C(c1ccccc1)c1ccccc1
Clc1ccc(OCc2cn(nn2)C(c2ccccc2)c2ccccc2)cc1
N#Cc1ccc(OCc2cn(nn2)C(c2ccccc2)c2ccccc2)cc1
[O-][N+](=O)c1ccc(OCc2cn(nn2)C(c2ccccc2)c2ccccc2)cc1
Cc1ccc(OCc2cn(nn2)C(c2ccccc2)c2ccccc2)cc1
COc1ccc(OCc2cn(nn2)C(c2ccccc2)c2ccccc2)cc1
C(Oc1ccc(cc1)-c1ccccc1)c1cn(nn1)C(c1ccccc1)c1ccccc1
N#Cc1ccc(Cn2ccnn2)cc1
N#Cc1ccc(Cn2nccn2)cc1
C(c1ccccc1)n1ccnn1
C(c1ccccc1)n1nccn1
N#Cc1ccc(Cn2cncn2)cc1
C(c1ccccc1)n1cncn1
c1ccc(cc1)Cn2ccnc2
c1cnn(n1)C(c1ccccc1)c1ccccc1
c1ncn(n1)C(c1ccccc1)c1ccccc1
c1cn(cn1)C(c1ccccc1)c1ccccc1
CCCc1cn(Cc2ccc(cc2)C#N)nn1
CCCCCCc1cn(Cc2ccc(cc2)C#N)nn1
CCCCCCCc1cn(Cc2ccc(cc2)C#N)nn1
CCCCCCCCCCc1cn(Cc2ccc(cc2)C#N)nn1
N#Cc1ccc(Cn2cc(nn2)C2CCCCC2)cc1
N#Cc1ccc(Cn2cc(nn2)-c2ccccc2)cc1
N#Cc1ccc(Cn2cc(COc3ccccc3)nn2)cc1
Clc1ccc(OCc2cn(Cc3ccc(cc3)C#N)nn2)cc1
N#Cc1ccc(Cn2cc(COc3ccc(cc3)C#N)nn2)cc1
[O-][N+](=O)c1ccc(OCc2cn(Cc3ccc(cc3)C#N)nn2)cc1
Cc1ccc(OCc2cn(Cc3ccc(cc3)C#N)nn2)cc1
COc1ccc(OCc2cn(Cc3ccc(cc3)C#N)nn2)cc1
N#Cc1ccc(Cn2cc(COc3ccc(cc3)-c3ccccc3)nn2)cc1
CCCc1cn(Cc2ccccc2)nn1
CCCCCCc1cn(Cc2ccccc2)nn1
CCCCCCCc1cn(Cc2ccccc2)nn1
CCCCCCCCCCc1cn(Cc2ccccc2)nn1
C(c1ccccc1)n1cc(nn1)C1CCCCC1
C(c1ccccc1)n1cc(nn1)-c1ccccc1
C(Oc1ccccc1)c1cn(Cc2ccccc2)nn1
Clc1ccc(OCc2cn(Cc3ccccc3)nn2)cc1
N#Cc1ccc(OCc2cn(Cc3ccccc3)nn2)cc1
[O-][N+](=O)c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1
Cc1ccc(OCc2cn(Cc3ccccc3)nn2)cc1
COc1ccc(OCc2cn(Cc3ccccc3)nn2)cc1
C(Oc1ccc(cc1)-c1ccccc1)c1cn(Cc2ccccc2)nn1
Clc1ccc(cc1)C1Cn2cccc2C(=O)\C1=C/c1cccnc1
COC(=O)[C@@H]1Cc2c(CN1C(=O)OCC=C)[nH]c1ccccc21 |r|
COC(=O)[C@@H]1Cc2c(CN1CC(C)C)[nH]c1ccccc21 |r|
COC(=O)[C@@H]1Cc2c(CN1S(=O)(=O)c1ccc(C)cc1)[nH]c1ccccc21 |r|
COC(=O)[C@H]1Cc2c(CN1S(C)(=O)=O)[nH]c1ccccc21 |r|
COC(=O)[C@@H]1Cc2c(CN1CC1CC1)[nH]c1ccccc21 |r|
COC(=O)[C@@H]1Cc2c(CN1C(=O)NC(C)C)[nH]c1ccccc21 |r|
CC(C)CN1Cc2[nH]c3ccccc3c2C[C@H]1C(O)=O |r|
COC(=O)[C@@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21 |r|
OC(=O)[C@@H]1Cc2c(CN1Cc1ccc(O)cc1)[nH]c1ccccc21 |r|
COCO[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r|
O=C(C(Cn1ccnn1)c1ccccc1)c1ccccc1
O=C(O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1)c1ccccc1 |r|
CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r|
COCO[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r|
O[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r|
CC(=O)O[C@@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccccc1 |r|
c1cc(ccn1)-c1nsc(n1)-c1ccncc1
Clc1ccc(cc1)-c1nsc(n1)-c1ccc(Cl)cc1
Fc1ccc(cc1)-c1nsc(n1)-c1ccc(F)cc1
Brc1ccc(cc1)-c1nsc(n1)-c1ccc(Br)cc1
COc1ccc(cc1)-c1nsc(n1)-c1ccc(OC)cc1
Brc1ccccc1-c1nsc(n1)-c1ccccc1Br
Clc1ccccc1-c1nsc(n1)-c1ccccc1Cl
FC(F)(F)c1ccc(cc1)-c1nsc(n1)-c1ccc(cc1)C(F)(F)F
CC(C)(C)c1ccc(cc1)-c1nsc(n1)-c1ccc(cc1)C(C)(C)C
Ic1ccc(cc1)-c1nsc(n1)-c1ccc(I)cc1
Ic1cccc(c1)-c1nsc(n1)-c1cccc(I)c1
Fc1cccc(c1)-c1nsc(n1)-c1cccc(F)c1
Fc1ccccc1-c1nsc(n1)-c1ccccc1F
Brc1cccc(c1)-c1nsc(n1)-c1cccc(Br)c1
Clc1cccc(-c2nsc(n2)-c2cccc(Cl)c2Cl)c1Cl
Cc1cc(Cl)ccc1-c1nsc(n1)-c1ccc(Cl)cc1C
Cc1cccc(c1)-c1nsc(n1)-c1cccc(C)c1
FC(F)(F)c1ccccc1-c1nsc(n1)-c1ccccc1C(F)(F)F
Clc1ccc(Cl)c(c1)-c1nsc(n1)-c1cc(Cl)ccc1Cl
Clc1ccc(cc1Cl)-c1nsc(n1)-c1ccc(Cl)c(Cl)c1
Cc1c(Cl)cccc1-c1nsc(n1)-c1cccc(Cl)c1C
Cc1ccc(cc1)-c1nsc(n1)-c1ccc(C)cc1
c1ccc2cc(ccc2c1)-c1nsc(n1)-c1ccc2ccccc2c1
CCCCc1ccc(cc1)-c1nsc(n1)-c1ccc(CCCC)cc1
Cc1ccc(Cl)cc1-c1nsc(n1)-c1cc(Cl)ccc1C
Cc1cc(Br)ccc1-c1nsc(n1)-c1ccc(Br)cc1C
Ic1ccccc1-c1nsc(n1)-c1ccccc1I
Cc1ccc(-c2nsc(n2)-c2ccc(C)cc2Br)c(Br)c1
Clc1ccc(-c2nsc(n2)-c2ccc(Cl)cc2Cl)c(Cl)c1
[O-][N+](=O)c1ccc(cc1)-c1nsc(n1)-c1ccc(cc1)[N+]([O-])=O
N#Cc1ccc(cc1)-c1nsc(n1)-c1ccc(cc1)C#N
N#Cc1cccc(c1)-c1nsc(n1)-c1cccc(c1)C#N
COc1cccc(c1)-c1nsc(n1)-c1cccc(OC)c1
Oc1ccc(cc1)-c1nsc(n1)-c1ccc(O)cc1
Oc1cccc(c1)-c1nsc(n1)-c1cccc(O)c1
Nc1ccc(cc1)-c1nsc(n1)-c1ccc(N)cc1
Oc1ccc(\C=C/c2cc(O)cc(O)c2)cc1
c1cc(ccc1CCc2cc(cc(c2)O)O)O
N#Cc1ccc(Oc2cccnc2)cc1C#N
N#Cc1ccc(Oc2cccnc2)cc1NCc1ccccc1
N#Cc1ccc(Oc2cccnc2)cc1Oc1cccnc1
Clc1cccc(Oc2cc(ccc2Oc2cccnc2)C#N)c1
N#Cc1ccc(cc1)-n1ccc2ccncc12
Clc1ccc(cc1)-n1ccc2ccncc12
Cc1cc(ccc1Cl)-n1ccc2ccncc12
N#Cc1ccc(cc1Oc1ccccc1)-n1ccc2ccncc12
N#Cc1ccc(Oc2cccnc2)cc1
Clc1ccc(cc1)-c1nc(cs1)-c1cccnc1
COc1ccc(cc1)-c1nc(cs1)-c1cccnc1
Brc1ccc(cc1)-c1nc(cs1)-c1cccnc1
Oc1ccc(cc1)-c1nc(cs1)-c1cccnc1
c1sc(nc1-c1cccnc1)-c1ccncc1
CCOc1ccc(cn1)-c1csc(n1)-c1ccncc1
COc1ccc(cn1)-c1csc(n1)-c1cccnc1
COc1ccc(cn1)-c1csc(n1)-c1ccncc1
c1sc(nc1-c1cccnc1)-c1ccccc1
Fc1ccc(cc1)-c1nc(cs1)-c1cccnc1
COc1cccc(c1)-c1nc(ns1)-c1cccnc1
Brc1cccc(c1)-c1nc(ns1)-c1cccnc1
Clc1cc(ccn1)-c1nc(cs1)-c1cccnc1
COc1cc(ccn1)-c1nc(cs1)-c1cccnc1
Cc1cnccc1-c1nc(cs1)-c1cccnc1
Brc1ccc(cn1)-c1csc(n1)-c1ccncc1
Brc1ccc(cn1)-c1csc(n1)-c1cccnc1
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C
OC(C1CC1)(c1ccc(Cl)cc1)c1cncnc1
OC(c1ccccc1)(c1ccc(Cl)c(Cl)c1)c1cncnc1
OC(c1ccc(Cl)cc1)(c1ccc(cc1)C(F)(F)F)c1cncnc1
OC(c1ccccc1)(c1ccc(cc1)C(F)(F)F)c1cncnc1
OC(c1ccccc1)(c1ccc(cc1)[N+]([O-])=O)c1cncnc1
Clc1ccc(CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2cncnc2)cc1
Clc1ccc(cc1)C(Cc1ccccc1)(c1ccc(Cl)cc1)c1cncnc1
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cnc[n+]([O-])c1
CC(C)C(O)(c1ccc(Cl)cc1)c1cncnc1
Clc1ccc(cc1)C(=C1CNC=NC1)c1ccc(Cl)cc1 |c:12|
Clc1ccc(cc1)C(Cl)(c1ccc(Cl)cc1)c1cncnc1
OC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cncnc1
c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl
Fc1ccc(cc1)C(F)(c1cncnc1)c1ccccc1Cl
OC(c1ccccc1)(c1ccccc1)c1cncnc1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1cncnc1
OC(c1ccccc1)(c1ccc(F)cc1)c1cncnc1
OC(C1CC1)(c1ccc(F)cc1)c1cncnc1
Cc1ccc(cc1)C(O)(c1ccc(C)cc1)c1cncnc1
CC(C)C(O)(c1ccc(C)s1)c1cncnc1
OC(c1cccs1)(c1cccs1)c1cncnc1
CCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1
CCC(C)C(O)(c1ccc(OC)cc1)c1cncnc1
OC(c1cccs1)(c1ccccc1)c1cncnc1
OC(C1CC1)(c1ccc(Br)cc1)c1cncnc1
COc1ccc(cc1)C(O)(c1cncnc1)C(C)(C)C
OC(C1CC1)(c1cccs1)c1cncnc1
COc1ccc(c(Cl)c1)C(O)(c1ccc(Cl)cc1)c1cncnc1
OC(c1ccccc1)(c1ccc(Cl)cc1)c1cncnc1
COc1ccc(cc1C)C(O)(c1ccc(C)c(C)c1)c1cncnc1
Cc1ccc(cc1C)C(O)(c1ccccc1)c1cncnc1
Cc1ccc(cc1)C(O)(C1CCCCC1)c1cncnc1
OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl
Fc1ccc(cc1)C(F)(c1ccc(Cl)cc1)c1cncnc1
OC(C1CC1)(C1CCCC1)c1cncnc1
COc1ccc(cc1)C(O)(C1CCC1)c1cncnc1
COC(=O)CCCCC(CCSS\C(CCO)=C(/C)N(Cc1cnc(C)nc1N)C=O)SC(C)=O
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1
OC(C1CC2CCC1C2)(c1ccc(Cl)cc1)c1cncnc1 |THB:1:2:8:6.5|
COc1ccc(cc1)[C@](c2cncnc2)(C3CC3)O
COc1ccc(cc1)C(O)(C1CCCCCCC1)c1cncnc1
OC(c1ccc(Cl)cc1)(c1cccc(Cl)c1)c1cncnc1
OC(C1CCCCC1)(c1ccc(Cl)cc1)c1cncnc1
FC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1
OC(c1ccc(F)cc1)(c1cccc(F)c1)c1cncnc1
Clc1ccc(cc1)C(C1=CN=CNC1)c1ccc(Cl)cc1 |c:11,t:9|
COc1ccc(cc1)C(O)(c1ccccc1)c1cncnc1
OC(c1ccc(F)cc1)(c1ccc(Cl)cc1)c1cncnc1
CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1
OC(c1ccc(Cl)cc1)(c1cccc(F)c1)c1cncnc1
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CS)C1CCC2=O |t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34S)C1CC[C@@H]2O |t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34S)C1CCC2=O |t:8|
C[C@]12CCC3C(CCC4CC(=O)C(=S)C[C@]34C)C1CCC2=O
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2 |r,c:12,t:8|
CC12CCC(=O)C(=O)C1CCC1C2CCC2(C)C1CCCC2=O
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
[H][C@@]12COC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:22,t:18|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:12,t:8|
CC12CCCC1C1CCC3=CC(=O)C=CC3(C)C1CC2 |c:14,t:10|
CC1(CCC2C(CCC3=CC(=O)C=CC23C)C1)C(O)=O |c:12,t:8|
CC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:15,t:11|
CC(=O)OCC1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:17,t:13|
CCC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:16,t:12|
COC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:16,t:12|
COC(=O)C1(C)CCC2C(CCC3=CC(=O)C=CC23C)C1C |c:16,t:12|
CC1(CCC2C(CCC3=CC(=O)C=CC23C)C1)C=O |c:12,t:8|
CC1(CO)CCC2C(CCC3=CC(=O)C=CC23C)C1 |c:14,t:10|
CC1C2CCC3=CC(=O)C=CC3(C)C2CCC1(C)C(O)=O |c:9,t:5|
Clc1ccc(cc1)C(c1ccn[nH]1)(c1ccc(Cl)cc1)n1ccnc1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)(c1cccnc1)n1ccnc1
Clc1ccccc1C(c1ccccc1Cl)n1ccnc1
CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1
Clc1ccc(cc1)C(Cl)(c1ccc(Cl)cc1)c1cccnc1
COc1ccc(cc1)C(c1ccc(Cl)cc1)n1ccnc1
COc1ccc(cc1)C(c1ccc(OC)cc1)n1ccnc1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1ccnc1
OC(c1nnn[nH]1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1
OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl
Clc1ccc(cc1)C(c1cncs1)(c1ccc(Cl)cc1)n1ccnc1
OC(c1cnn[nH]1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
OC(C1CCCNC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccncn1
Clc1ccc(cc1)C(c1nnc[nH]1)(c1ccc(Cl)cc1)n1ccnc1
Clc1ccc(cc1)C(N1CCCCC1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(c1ccc[nH]1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(c1cn[nH]c1)(c1ccc(Cl)cc1)n1ccnc1
COc1cc(Cl)ccc1C(O)(c1ccccc1)c1cccnc1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cccn1
OC(c1cncs1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
OC(c1ncc[nH]1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Brc1ccc(cc1)C(c1ccc(Br)cc1)n1ccnc1
FC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)(c1cncnc1)n1ccnc1
Clc1ccc(cc1)C(c1ncc[nH]1)(c1ccc(Cl)cc1)n1ccnc1
Cc1ccc(cc1)C(c1ccc(C)cc1)n1ccnc1
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cnccn1
Clc1ccc(cc1)C(N1CCNCC1)c1ccc(Cl)cc1
OC(c1cn[nH]c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1ccnn1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cncn1
COc1ccccc1C(c1ccccc1)n1ccnc1
OC(c1cnc[nH]1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1ncnn1
OC(c1ccc(Cl)cc1)(c1cccnc1)c1cccc(c1)C(F)(F)F
Clc1ccc(cc1)C(c1ccc(Cl)cc1)(c1ccccn1)n1ccnc1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccccn1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1nccn1
OC(c1ccn[nH]1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Cc1ccc(cc1)C(O)(c1ccc(Cl)cc1)c1cccnc1
COC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1cccnc1
Clc1ccc(cc1)C(c1ccns1)(c1ccc(Cl)cc1)n1ccnc1
COc1ccc(cc1)C(O)(c1ccc(OC)cc1)c1cccnc1
Fc1ccc(cc1)C(c1ccc(F)cc1)n1ccnc1
COc1ccc(cc1)C(c1ccc(C)cc1)n1ccnc1
OC(c1ccncc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(N1CCCC1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(c1ccncc1)(c1ccc(Cl)cc1)n1ccnc1
Clc1ccc(cc1)C(c1cnc[nH]1)(c1ccc(Cl)cc1)n1ccnc1
Clc1ccc(cc1)C(c1ccncc1)c1ccc(Cl)cc1
OC(c1ccns1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
OC(c1cccnc1)(c1cccc(Cl)c1)c1cccc(Cl)c1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cnnc1
OC(c1ccccc1)(c1cccnc1)c1ccc(Cl)cc1Cl
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccccn1
OC(c1ccc(F)cc1)(c1cccnc1)c1ccc(Cl)cc1Cl
OC(c1nnc[nH]1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(c1ccccc1)n1ccnc1
FC(F)(F)c1ccc(cc1)C(c1ccc(Cl)cc1)n1ccnc1
[O-][N+](=O)c1ccc(cc1)C(c1ccc(cc1)[N+]([O-])=O)n1ccnc1
OC(c1ccccc1)(c1ccc(Cl)cc1)c1cccnc1
Clc1ccc(cc1)C(c1cnn[nH]1)(c1ccc(Cl)cc1)n1ccnc1
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:6,12,t:8|
C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(cc1)N=[N+]=[N-] |t:15|
C[C@]12CCC3C(CCC4=CC(=O)C(C)(C)C[C@]34C)C1CCC2=O |t:8|
C[C@@]12CCCC1C1CCC3=CC(=O)C=C[C@]3(C)C1CC2 |c:14,t:10|
C[C@]12CCC3C(CCC4=CC(=C)CC[C@]34C)C1CCC2=O |t:8|
C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(NC(=O)CBr)cc1 |t:15|
C[C@]12CCC3C(CCC4C(=O)C(=O)CC[C@]34C(F)F)C1CCC2=O
Clc1ccc(COC(Cn2cccc2)c2ccc(Cl)cc2Cl)cc1
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(F)F)C1CCC2=O |t:8|
C[C@]12CCC3C(CCC4C(=N)C(=O)CC[C@]34C)C1CCC2=O
C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(I)cc1 |t:15|
CC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |c:7|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=C)C1CCC2=O |t:8|
C\C=C\[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |c:8|
Cn1nnc2ccc(cc12)C(c1ccc(Cl)cc1)n1cncn1
C[C@]12CCC3C(C[C@@H](Br)C4=CC(=O)CC[C@]34C)C1CC[C@@H]2OC(=O)CBr |t:9|
Oc1ccc2ccc3c(oc(cc3=O)-c3ccccc3)c2c1
CCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |c:8|
c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2
Clc1ccc(cc1)C1c2ccc(Cl)cc2-c2ncncc12
C[C@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C1CCC(=O)O2 |c:12,t:8|
N#CCCCC1CCCc2cncn12
N#Cc1ccc(cc1)C1CCCCc2cncn12
OCc1ccc(cc1)C1CCCc2cncn12
Cc1ccc(cc1)C1CCCc2cncn12
Brc1ccc(cc1)C1CCCc2cncn12
Cc1cncn1Cc1ccc(cc1)C#N
OC(=O)c1ccc(cc1)C1CCCc2cncn12
N#Cc1ccc(cc1)C1CCc2cncn12
CCOC(=O)c1ccc(cc1)C1CCCc2cncn12
CC(=O)OCC12CCCC=C1CCC1C3CCC(OC(C)=O)C3(C)CCC21 |c:9|
CC(=O)OCC12CCCC=C1CCC1C3CCC(O)C3(C)CCC21 |c:9|
CC12CCC3C(CCC4=CCCCC34C)C1C[C@H](Br)C2=O |t:8|
CC12CCC3C(CCC4=CCCCC34C(O)C#C)C1CCC2=O |t:8|
CC(=O)OCC12CCCC=C1CCC1C3CCC(=O)C3(C)CCC21 |c:9|
CC(=O)OC1CCC2C3CCC4=CCCCC4(CO)C3CCC12C |t:11|
CC12CCC3C(CCC4=CCCCC34CO)C1CCC2O |t:8|
CC12CCC3C(CCC4=CCCCC34C)C1C[C@@H](Br)C2=O |t:8|
CC12CCC3C(CCC4=CCCCC34C)C1CCC2O |t:8|
CC12CCC3C(CCC4=CCCCC34C(F)F)C1CCC2=O |t:8|
C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34C(F)F)[C@@H]1CC[C@@H]2O |t:8|
C[C@]12CCC3C(CCC4=C(SCCl)C(=O)CC[C@]34C)C1CCC2=O |c:8|
C[C@]12CC=C3C(CCC4C(=S)C(=O)CC[C@]34C)C1CCC2=O |c:3|
C[C@]12CC=C3C(CCC4=C(SCCl)C(=O)CC[C@]34C)C1CCC2=O |c:3,8|
C[C@]12CCC3C(CCC4=C(SCF)C(=O)CC[C@]34C)C1CCC2=O |c:8|
C[C@]12CC[C@H]3[C@@H](CCC4=C(SCC#N)C(=O)CC[C@]34C)[C@@H]1CCC2=O |c:8|
C[C@]12CC[C@H]3[C@@H](CCC4=C(SC(F)F)C(=O)CC[C@]34C)[C@@H]1CCC2=O |c:8|
COCSC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O |c:4|
CSC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O |c:2|
C[C@]12CC=C3C(CCC4C(=O)C(=O)CC[C@]34C)C1CCC2=O |c:3|
C[C@]12CCC3C(CCC4C(=S)C(=O)CC[C@]34C)C1CCC2=O
CSCSC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O |c:4|
COCOC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O |c:4|
C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1
C[C@]12CCC3C(CC[C@H]4[C@@H]5O[C@@H]5CC[C@]34C)C1CCC2=O
C[C@]12CCC3C(CCC4C(=O)C(=O)CC[C@]34C)C1CCC(=O)O2
C[C@]12CCC3C(CC[C@H]4C(=O)[C@H](O)CC[C@]34C)C1CCC2=O
C[C@]12CCC3C(CC[C@H]4C=CCC[C@]34C)C1CCC2=O |c:9|
COc1ccc(\C=C\C(=O)c2ccc(OC)cc2O)cc1
[#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])ccc1-[#8]
[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1
[#6]-[#8]-[#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1ccc(-[#8]-[#6]-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1
COc1ccc(cc1)C1CC(=O)c2ccc(OC)cc2O1
[#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1
[#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc1
[#6]-[#8]-[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1
[#6]-[#8]-c1ccc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1
[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1cccc(-[#6]\[#6]=[#6](\[#6])-[#6])c1
[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2cccc(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1
[#6]-[#8]-[#6]-[#8]-c1ccc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8]-[#6])cc2-[#8]-1
[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1
[#6]-[#8]-[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1
[#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1
[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](-[#8])-c2ccccc2-[#8])cc1-[#6]\[#6]=[#6](\[#6])-[#6] |w:8.8|
[#6]-[#8]-c1ccc(-[#6](=O)-[#6]-[#6](-[#8])-c2ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)c(-[#8])c1
[#6]-[#8]-c1ccc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6]-[#6](=O)-c2ccccc2-[#8]-1
[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2)c(-[#8])c1
[#6]-[#8]-[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6])cc2-[#8])cc1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1
[#6]-[#8]-[#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1
CN(c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1OCc1ccccc1)S(C)(=O)=O
CN(c1ccc(NC(=O)c2ccc3ccccc3c2)cc1OCc1ccccc1)S(C)(=O)=O
CN(c1ccc(NC(=O)c2ccc(cc2)C#N)cc1OCc1ccccc1)S(C)(=O)=O
CN(c1ccc(NC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1OCc1ccccc1)S(C)(=O)=O
CN(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1)S(C)(=O)=O
CN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1ccccc1)S(C)(=O)=O
CN(c1ccc(NC(=O)c2ccccc2)cc1OCc1ccccc1)S(C)(=O)=O
CN(c1ccc(NC(C)=O)cc1OCc1ccccc1)S(C)(=O)=O
CN(c1ccc(N)cc1OCc1ccccc1)S(C)(=O)=O
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)c(OCc2ccccc2)c1
[O-][N+](=O)c1ccc(NC(=O)c2ccc3ccccc3c2)c(OCc2ccccc2)c1
[O-][N+](=O)c1ccc(NC(=O)c2ccc(cc2)C#N)c(OCc2ccccc2)c1
[O-][N+](=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(OCc2ccccc2)c1
[O-][N+](=O)c1ccc(NC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c(OCc2ccccc2)c1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
CC(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(NC(=O)C2CCCCC2)c(OCc2ccccc2)c1
[O-][N+](=O)c1ccc(NC(=O)c2ccccc2)c(OCc2ccccc2)c1
CN(c1ccc(cc1OCc1cccc2ccccc12)[N+]([O-])=O)S(C)(=O)=O
CS(=O)(=O)Nc1ccc(cc1OCc1cccc2ccccc12)[N+]([O-])=O
CN(c1ccc(cc1OCCc1ccccc1)[N+]([O-])=O)S(C)(=O)=O
CS(=O)(=O)Nc1ccc(cc1OCCc1ccccc1)[N+]([O-])=O
CN(c1ccc(cc1OCc1ccc(cc1)-c1ccccc1)[N+]([O-])=O)S(C)(=O)=O
CS(=O)(=O)Nc1ccc(cc1OCc1ccc(cc1)-c1ccccc1)[N+]([O-])=O
CN(c1ccc(cc1OCc1ccc(Br)cc1)[N+]([O-])=O)S(C)(=O)=O
CS(=O)(=O)Nc1ccc(cc1OCc1ccc(Br)cc1)[N+]([O-])=O
CN(c1ccc(cc1OCc1ccc(Cl)cc1)[N+]([O-])=O)S(C)(=O)=O
CS(=O)(=O)Nc1ccc(cc1OCc1ccc(Cl)cc1)[N+]([O-])=O
CS(=O)(=O)Nc1ccc(cc1OCc1ccc(F)cc1)[N+]([O-])=O
CC(C)c1ccc(COc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)cc1
COc1ccc(COc2cc(ccc2N(C)S(C)(=O)=O)[N+]([O-])=O)cc1
COc1ccc(COc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)cc1
Cc1ccc(COc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)cc1
CS(=O)(=O)Nc1ccc(cc1OCc1ccccc1-c1ccccc1)[N+]([O-])=O
CS(=O)(=O)Nc1ccc(cc1OCc1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
Cc1ccc(C)c(COc2cc(ccc2NS(C)(=O)=O)[N+]([O-])=O)c1
CS(=O)(=O)Nc1ccc(cc1OCc1ccc2ccccc2c1)[N+]([O-])=O
CS(=O)(=O)Nc1ccc(cc1OCc1ccccc1)[N+]([O-])=O
Oc1cccc(c1)C1CC(=O)c2ccc3ccccc3c2O1
O=C1CC(Oc2c1ccc1ccccc21)c1cccc(c1)C#N
Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 |r|
Oc1cccc(c1)C1CC(=O)c2ccc(O)cc2O1
COc1ccc2C(=O)CC(Oc2c1)c1ccc(O)cc1
COc1ccc2C(=O)CC(Oc2c1)c1cccc(O)c1
COc1ccc2C3C(CCc2c1)C3c1cnc[nH]1 |w:6.5|
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O
Oc1ccc(cc1O)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O
c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
N#Cc1ccc(Cn2cncn2)cc1-c1ccccc1
Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N
Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)ccc1C#N
Oc1cc(ccc1Cl)-c1cc(Cn2cncn2)ccc1C#N
Oc1cccc(c1)-c1ccc(C#N)c(Cn2cncn2)c1
Oc1ccc(cc1Cl)-c1ccc(C#N)c(Cn2cncn2)c1
N#Cc1cc(Cn2cncn2)cc(c1)-c1ccccc1
Fc1ccc(cc1)-c1cc(Cn2cncn2)cc(c1)C#N
N#Cc1ccc(cc1)-c1cc(Cn2cncn2)cc(c1)C#N
Oc1ccc(cc1)-c1cc(Cn2cncn2)cc(c1)C#N
Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)cc(c1)C#N
C(c1cccc(c1)-c1ccccc1)n1cncn1
N#Cc1cc(Cn2cncn2)ccc1-c1ccccc1
Oc1ccc(cc1)-c1ccc(Cn2cncn2)cc1C#N
Oc1ccc(cc1Cl)-c1ccc(Cn2cncn2)cc1C#N
N#Cc1ccc(Cn2cncn2)c(c1)-c1ccccc1
Oc1ccc(cc1Cl)-c1cc(ccc1Cn1cncn1)C#N
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccccc1
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(O)cc1
Clc1cccc(c1)-c1cc(Cn2cncn2)ccc1C#N
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(O)c(Cl)c1
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(OS(N)(=O)=O)c(Cl)c1
NS(=O)(=O)Oc1cc(ccc1Cl)-c1cc(Cn2cncn2)ccc1C#N
CN(C)S(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N
NS(=O)(=O)Oc1ccc(cc1Cl)-c1cc(ccc1Cn1cncn1)C#N
CN(C)S(=O)(=O)Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)ccc1C#N
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)-c1ccc(OS(N)(=O)=O)cc1
NS(=O)(=O)Oc1ccc(cc1Cl)-c1cccc(Cn2cncn2)c1
NS(=O)(=O)Oc1ccc(cc1Cl)-c1cc(Cn2cncn2)cc(c1)C#N
NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(C#N)c(Cn2cncn2)c1
NS(=O)(=O)Oc1ccc(cc1)-c1ccc(C#N)c(Cn2cncn2)c1
NS(=O)(=O)Oc1ccc(cc1)-c1cccc(Cn2cncn2)c1
NS(=O)(=O)Oc1ccc(cc1)-c1cc(Cn2cncn2)cc(c1)C#N
NS(=O)(=O)Oc1ccc(cc1)-c1ccc(Cn2cncn2)cc1C#N
NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(Cn2cncn2)cc1C#N
Cn1nnc2ccc(cc12)[C@H](c1ccc(Cl)cc1)n1cncn1 |r|
[O-][N+](=O)c1ccc(cc1)C(c1coc2ccccc2c1=O)n1ccnc1
Cn1c2ccc(cc2sc1=O)C(c1ccccc1)n1ccnc1
Oc1cccc2ccc3c(oc(cc3=O)-c3ccccc3)c12
CCn1c(C)c(C(c2ccc(F)cc2)n2ccnc2)c2ccccc12
FC(F)(F)Oc1ccc(cc1)C1\C(=C\c2cccnc2)C(=O)c2cccn12
Fc1ccc(cc1)-n1cc(Cn2ccnc2)c2ccccc12
CCn1cc(C(c2ccccc2)n2ccnc2)c2cc(Br)ccc12
Fc1ccc2ccc(Cn3ccnc3)cc2c1
[O-][N+](=O)c1ccc(CCn2ccnc2)cc1
CC(C)\C=C\Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Clc1cccc(c1)C(c1ccc2nc[nH]c2c1)n1ccnc1
O=C1C(C(Oc2cc(Oc3ccccc3)ccc12)SCc1cccnc1)c1ccccc1
Fc1ccc(CCCn2ccnc2)cc1
COc1ccc(cc1OC)C1=C(C(=O)OC1)c1ccc(OC)c(OC)c1 |t:11|
c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3CC=C(C)[C@@H]3[C@H]2OC1=O |r,t:10|
Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
COc1ccc2C(=O)C(CC3=CC=NCC3)=C(N)c2c1 |c:12,t:10,16|
COc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(OC)c(OC)c1 |t:9|
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
c1ccc(cc1)C2=CC(=O)c3ccccc3O2
Oc1cc2oc(cc(=O)c2cc1O)-c1ccccc1
Clc1ccc(cc1)C(c1cc2ccccc2o1)n1ccnc1
CC1=CC(=O)C2=C(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12 |r,c:5,t:1|
Cc1cccc(O)c1C(=O)c1c(O)cc(cc1C=O)C(O)=O
CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,c:1|
CC1=CC[C@H]2CCC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12 |r,t:1|
COc1ccc(cc1OC)C1=C(COC1=O)c1cc(OC)c(OC)c(OC)c1 |t:11|
COc1cc(cc(C=O)c1C(=O)c1c(C)cccc1O)C(=O)N(C)C
Oc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(O)c2)cc1O
Oc1cccc(C[C@@H]2[C@@H](Cc3ccccc3)COC2=O)c1 |r|
C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
O=c1c2ccccc2sc2c(Cn3ccnc3)cccc12
[O-][N+](=O)c1ccc(Cn2ccnc2)c(Sc2ccccc2)c1
[O-][N+](=O)c1ccc(Cn2ccnc2)c(Oc2ccccc2)c1
[O-][N+](=O)c1ccc(Cn2ccnc2)c2sc3ccccc3c(=O)c12
O=c1c2ccccc2oc2c(Cn3ccnc3)cccc12
[O-][N+](=O)c1cc(Cn2ccnc2)c2oc3ccccc3c(=O)c2c1
[O-][N+](=O)c1ccc(Cn2ccnc2)c2oc3ncccc3c(=O)c12
O=c1c2ccccc2oc2cccc(Cn3ccnc3)c12
C(c1ccccc1Oc1ccccc1)n1ccnc1
[O-][N+](=O)c1ccc2c(oc3ccccc3c2=O)c1Cn1ccnc1
O=c1c2ccccc2oc2ccc(Cn3ccnc3)cc12
COc1cc(OC)cc(\C=C(/Cn2ccnc2)c2ccc(cc2)[N+]([O-])=O)c1
COc1cc(OC)cc(\C=C(/Cn2ccnc2)c2ccc(N)cc2)c1
COc1cc(OC)cc(\C=C\c2ccc(N)cc2)c1
COc1ccc(\C=C\c2ccc(N)cc2)c(OC)c1
COc1ccc(\C=C\c2cccc(N)c2)c(OC)c1
COc1ccc(OC)c(\C=C\c2ccc(N)cc2)c1
COc1cccc(\C=C\c2ccc(N)cc2)c1OC
COc1ccc(\C=C\c2ccc(N)cc2)cc1OC
COc1cc(\C=C\c2cccc(N)c2)cc(OC)c1OC
COc1cc(\C=C\c2ccc(N)cc2)cc(OC)c1OC
COc1ccc(\C=C\c2ccc(N)cc2)c(OC)c1OC
COc1cc(OC)c(OC)c(\C=C\c2ccc(N)cc2)c1
Nc1cccc(\C=C\c2ccc3OCOc3c2)c1
Nc1ccc(\C=C\c2ccc3OCOc3c2)cc1
[O-][N+](=O)c1ccc(\C=C\c2cccc(c2)[N+]([O-])=O)cc1
COc1cccc(\C=C\c2ccc(N)cc2)c1
COc1cc(CCc2ccc(N)cc2)cc(OC)c1
COc1ccc(CCc2ccc(N)cc2)cc1OC
COc1cc(CCc2ccc(N)cc2)cc(OC)c1OC
Nc1ccc(CCc2cccc(N)c2)cc1
Nc1ccc(\C=C\c2cccc(N)c2)cc1
Nc1ccc(\C=C\c2cc(N)cc(N)c2)cc1
CC(=O)Oc1cc(OC(C)=O)cc(\C=C\c2ccc(N)cc2)c1
Nc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
[O-][N+](=O)c1ccc(cc1)C(=O)Cn1ccnc1
Nc1ccc(cc1)C(=O)Cn1ccnc1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#8])c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(F)c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(-[#8])c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#7])c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7])c(-[#7])c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc2cc(-[#8])ccc2c1
CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(OC)c(OC)cc3[C@H]2O1 |r|
CCC[C@H]1C[C@H]2OC(=O)c3c(O)c(O)c(OC)cc3[C@H]2O1 |r|
CCC[C@H](O)C[C@@H]1Cc2cc(OC)c(OC)c(O)c2C(=O)O1 |r|
CCC[C@H](O)C[C@@H]1Cc2cc(OC)c(O)c(O)c2C(=O)O1 |r|
CCC[C@@H](O)C[C@H]1OC(=O)c2c(O)c(OC)c(OC)cc2[C@H]1O |r|
CCCC(=O)CC[C@H]1OC(=O)c2c1cc(OC)c(OC)c2O |r|
COc1cc(OC)cc(c1)C1COc2ccccc2C1=O
OC1Oc2ccccc2C(=O)C1c1ccccc1
O=C1C(COc2ccccc12)c1ccccc1
Cc1ccc2OCC(C(=O)c2c1)c1ccccc1
Cc1ccc2C(=O)C(COc2c1)c1ccccc1
Cc1cccc(c1)C1COc2ccccc2C1=O
Cc1ccc(cc1)C1COc2ccccc2C1=O
O=C1C(COc2ccc3ccccc3c12)c1ccccc1
O=C1C(COc2ccccc12)c1ccc(Oc2ccccc2)cc1
COc1ccc2OCC(C(=O)c2c1)c1ccccc1
COc1ccccc1C1COc2ccccc2C1=O
COc1cccc(c1)C1COc2ccccc2C1=O
COc1ccc(cc1)C1COc2ccccc2C1=O
O=C1C(COc2ccccc12)c1ccsc1
O=C1C(COc2ccccc12)c1cccnc1
Fc1ccc2OCC(C(=O)c2c1)c1ccccc1
Clc1ccc2OCC(C(=O)c2c1)c1ccccc1
Brc1ccc2OCC(C(=O)c2c1)c1ccccc1
CC(C)(C)c1ccc2OCC(C(=O)c2c1)c1ccccc1
COc1ccc2C(=O)C(COc2c1)c1ccccc1
Oc1ccc(cc1)C1COc2ccccc2C1=O
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O |r,c:10|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]5O[C@@H]5C[C@]34C)[C@@H]1CCC2=O |r|
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r,t:8|
COc1ccc(cc1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
C=C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
O=C1CCc2cc(cc(-c3ccsc3)c2N1)-c1cccnc1
O=C1CCc2cc(cc(c2N1)-c1cccnc1)-c1cccnc1
O=C1CCc2cc(cc(c2N1)-c1ccccc1)-c1cccnc1
Brc1cc(cc2CCC(=O)Nc12)-c1cccnc1
CN1C(=O)CCc2cc(c(OCc3ccccc3)cc12)-c1cccnc1
O=C1CCc2cc(c(OCc3ccccc3)cc2N1)-c1cccnc1
CN1C(=O)CCc2cc(c(OC3CCCC3)cc12)-c1cccnc1
O=C1CCc2cc(c(OC3CCCC3)cc2N1)-c1cccnc1
CCOc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
CCOc1cc2NC(=O)CCc2cc1-c1cccnc1
COc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
COc1cc2NC(=O)CCc2cc1-c1cccnc1
Oc1cc2NC(=O)CCc2cc1-c1cccnc1
O=C1CCc2cc(ccc2N1)-c1cccnc1
C[C@]12CC[C@H]3[C@@H](C[C@@H](OCC#CCO)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |r,c:18,t:14|
CCCCCCCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:28,t:32|
CCCCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:25,t:29|
CCCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:24,t:28|
CC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C
CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:20,t:24|
CO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 |r,c:19,t:23|
COc1cccc(c1)-c1csc(n1)-c1cccc(OC)c1
COc1cccc(c1)-c1csc(n1)-c1ccccc1
COc1cccc(c1)-c1nc(cs1)-c1ccccc1
CC12CCC3C(CCC4=C(Sc5ccc(N)cc5)C(=O)CCC34C)C1CCC2=O |c:8|
CCSC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O |c:3|
CC(=O)SC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O |c:4|
CCCSC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O |c:4|
CCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1
CCCCN1C(=O)C2CC2(C1=O)c1ccc(N)cc1
C=C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
O=C1CCc2cc(Cc3ccncc3)cc3CCN1c23
OC(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Fc1ccc(cc1)C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
Clc1cccc(c1)C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
Cc1cccc(c1)C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
COc1ccccc1C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
O=C1CCc2cc(cc3CCN1c23)C(c1ccccc1)c1cccnc1
CC(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
C=C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
O=C1CCc2cc(Cc3cccnc3)cc3CCN1c23
OC(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
COc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
COc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
COc1ccccc1C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
O=C1CCc2cc(cc3CCN1c23)C(c1ccccc1)c1ccncc1
OC(c1ccccc1)(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
O=C1CCc2cc(cc3CCN1c23)C(C1CCCCC1)c1ccncc1
CC(C)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
CC(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Cc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Clc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Clc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Fc1ccc(cc1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Fc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
Nc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
Oc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
O=c1c2ccccc2oc2c(OC3CCCC3)ccc(Cn3ccnc3)c12
O=c1c2ccccc2oc2c(OCC3CC3)ccc(Cn3ccnc3)c12
CCC(C)Oc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
CC(C)CCOc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
CC(C)Oc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
CCOc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
COc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
O=c1c2ccccc2oc2c(ccc(Cn3ccnc3)c12)-c1ccccc1
Ic1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
Clc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
Clc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccc(Cl)cc12
Cc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccc(Cl)cc12
COc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccc(Cl)cc12
COc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccc(OC)cc12
COc1ccc2cc(Cn3ccnc3)n(-c3ccc(C)cc3)c2c1
COc1ccc2cc(Cn3ccnc3)n(-c3ccc(cc3)C#N)c2c1
COc1ccc2cc(Cn3ccnc3)n(-c3ccc(cc3)C(F)(F)F)c2c1
COc1ccc2cc(Cn3ccnc3)n(-c3ccc(F)cc3)c2c1
COc1ccc2cc(Cn3ccnc3)n(-c3ccccc3)c2c1
Cc1ccc2cc(Cn3ccnc3)n(-c3ccc(cc3)C#N)c2c1
Cc1ccc2cc(Cn3ccnc3)n(-c3ccc(F)cc3)c2c1
COc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccc(C)cc12
Cc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccc(C)cc12
Cc1ccc2cc(Cn3ccnc3)n(-c3ccccc3)c2c1
C(c1cc2ccccc2n1-c1ccccc1)n1ccnc1
FC(F)(F)c1ccc(cc1)-n1c(Cn2ccnc2)cc2ccccc12
COc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccccc12
Cc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccccc12
Fc1ccc(cc1)-n1c(Cn2ccnc2)cc2ccccc12
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccccc1
COc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
Oc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
COc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
Oc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
COc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
COc1cncc(c1)-c1ccc2ccc(O)cc2c1Cl
COc1ccc2ccc(-c3cncc(OC)c3)c(Cl)c2c1
Oc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
Oc1ccc2ccc(-c3cccnc3)c(F)c2c1
COc1ccc2ccc(-c3cccnc3)c(F)c2c1
Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
COc1ccc2ccc(cc2c1)-c1cccnc1
Oc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
Oc1ccc(O)c(c1)-c1cn2ccsc2n1
Cc1cn2cc(nc2s1)-c1ccc(O)c(O)c1O
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r|
C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)[C@@H](O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |r|
COc1cccc(c1)C1=CC(=O)c2ccc3N=CC=c3c2=N1 |c:17,19,23,t:9|
CCn1ccc2c1ccc1nc(cc(C(O)=O)c21)-c1ccccc1
Cc1cc(C(O)=O)c2ccc3[nH]ccc3c2n1
COc1ccc(cc1)-c1cc(C(O)=O)c2ccc3[nH]ccc3c2n1
CCn1ccc2c1ccc1nc(cc(Cn3cncn3)c21)-c1ccccc1
COc1ccc(cc1)-c1cc(Cn2cncn2)c2ccc3[nH]ccc3c2n1
CCn1ccc2c1ccc1nc(cc(Cn3ccnc3)c21)-c1ccccc1
Cc1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1
COc1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc3[nH]ccc3c2n1
C(c1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1)n1ccnc1
CCn1ccc2c1ccc1nc(cc(CO)c21)-c1ccccc1
Cc1cc(CO)c2ccc3[nH]ccc3c2n1
CCn1ccc2c1ccc1c(CO)cc(nc21)-c1ccccc1
COc1ccc(cc1)-c1cc(CO)c2ccc3[nH]ccc3c2n1
OCc1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1
CCOC(=O)c1cc(nc2ccc3n(CC)ccc3c12)-c1ccccc1
CCOC(=O)c1cc(C)nc2c3cc[nH]c3ccc12
CCOC(=O)c1cc(nc2c3ccn(CC)c3ccc12)-c1ccccc1
CCOC(=O)c1cc(nc2c3cc[nH]c3ccc12)-c1ccc(OC)cc1
CCOC(=O)c1cc(nc2c3cc[nH]c3ccc12)-c1ccccc1
CC(=O)O[C@H]([C@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
CC(=O)O[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r|
O[C@H]([C@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
O[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r|
O[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r|
COCO[C@H]([C@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
COCO[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r|
COCO[C@H]([C@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r|
CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r|
CC(=O)O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r|
O[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r|
O[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r|
COCO[C@H]([C@@H](Cn1ccnn1)c1ccc(Br)cc1)c1ccccc1 |r|
COCO[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(Br)cc1 |r|
COCO[C@H]([C@@H](Cn1ccnn1)c1ccccc1)c1ccc(F)cc1 |r|
COC(=O)[C@@]1(CCc2cncn12)c1ccc(cc1Cl)C#N |r|
Fc1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r|
O=C1\C(=C/c2ccncc2)C(c2ccccc2)n2cccc12
O=C1\C(=C/c2cccnc2)C(c2ccccc2)n2cccc12
Fc1ccc2OCC(C(=O)c2c1)c1cccnc1
Fc1cccc2C(=O)C(COc12)c1cccnc1
COc1ccc2OCC(C(=O)c2c1)c1cccnc1
O=C1C(COc2ccc3ccccc3c12)c1ccc(Oc2ccccc2)cc1
Fc1cc(F)cc(c1)C1COc2ccccc2C1=O
Fc1ccc(cc1)C1COc2ccccc2C1=O
Fc1cccc(c1)C1COc2ccccc2C1=O
Fc1ccccc1C1COc2ccccc2C1=O
Fc1cccc2C(=O)C(COc12)c1ccccc1
Oc1ccc2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCCCC |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCCc1ccccc1 |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCc1ccc(OC)cc1 |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1ccc(N)cc1 |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCc1ccccc1 |r,t:18|
CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc2OCOc2c1
CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc(C)cc1
CCOC(=O)c1nnn(Cc2cccc(Br)c2)c1-c1ccc(Br)cc1
CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc(Br)cc1
CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccccc1
CCOC(=O)c1nnn(Cc2cccc(Br)c2)c1-c1ccccc1
CCOC(=O)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1
CCOC(=O)c1nnn(Cc2cccc(Br)c2)c1-c1ccc(Cl)cc1
FC(F)(F)Oc1ccc(COc2ccc(cc2)C(=O)Cn2ccnc2)cc1
O=C(Cn1ccnc1)c1ccc(OCc2cccc(c2)C#N)cc1
[O-][N+](=O)c1cccc(COc2ccc(cc2)C(=O)Cn2ccnc2)c1
FC(F)(F)Oc1cccc(COc2ccc(cc2)C(=O)Cn2ccnc2)c1
O=C(Cn1ccnc1)c1ccc(OCc2ccccc2)cc1
O=C(Cn1ccnc1)c1cccc(OCc2ccccc2)c1
COc1cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc(OC)c1OC
COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1OC
O=c1cc(Cn2ccnc2)c2ccc(OCCc3ccccc3)cc2o1
CC(C)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
CCCOc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
[O-][N+](=O)c1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
COc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
CC(C)(c1cccnc1)C(=O)c2cccnc2
O=C(Cn1ccnc1)c1ccc(OCc2cccnc2)cc1
[H][C@]12CCc3cocc3[C@]1(CO)CCC1(O)C(C)=C(O)C(=O)C[C@]21C |r,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CO)C2=CC(=O)C=C[C@]12C |r,c:24,t:16,20|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C |r,c:23,t:19|
[H][C@@]12O[C@]1([H])[C@@]1(C)C(=CC2=O)C(=C)C[C@@]2([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]12[H] |r,c:8|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@]2(CO2)C2=CC(=O)C=C[C@]12C |r,c:25,t:21|
Fc1cc-2c(CCc3nncn-23)cc1-c1cccnc1
Fc1cc(cc2CCc3nncn3-c12)-c1cccnc1
Cc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
CCc1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
CCc1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
CC(C)c1nnc2CCc3cc(c(F)cc3-n12)-c1cccnc1
CC(C)c1nnc2CCc3cc(cc(F)c3-n12)-c1cccnc1
Fc1cc-2c(CCc3nnc(-c4ccccc4)n-23)cc1-c1cccnc1
Fc1cc(cc2CCc3nnc(-c4ccccc4)n3-c12)-c1cccnc1
Fc1cc-2c(CCc3nnc(Cc4ccccc4)n-23)cc1-c1cccnc1
Fc1cc(cc2CCc3nnc(C(=O)c4ccccc4)n3-c12)-c1cccnc1
Fc1cc-2c(CCc3nnc(-c4ccncc4)n-23)cc1-c1cccnc1
Fc1cc(cc2CCc3nnc(-c4ccncc4)n3-c12)-c1cccnc1
COc1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
CC(O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
CC(=O)c1cncc(c1)-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C(F)(F)F
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)C#N
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(c1)-c1ccccc1
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc2ccccc12
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C
Fc1cncc(c1)-c1cc(F)c-2c(CCc3nncn-23)c1
Cc1c(F)cncc1-c1cc(F)c-2c(CCc3nncn-23)c1
NCCOc1ccc(cc1)C(=C(/Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
NCCOc1ccc(cc1)C(=C(\Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
NCCOc1ccc(cc1)C(=C(/Cn1cncn1)c1ccccc1)\c1ccc(O)cc1
NCCOc1ccc(cc1)C(=C(/Cn1ccnc1)c1ccccc1)\c1ccc(O)cc1
NCCOc1ccc(cc1)C(=C(/CC#N)c1ccccc1)\c1ccc(O)cc1
[#7]-[#6]-[#6]-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8])cc1
CC(C)C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)\c1ccccc1
CCC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
NCCOc1ccc(cc1)C(=C(/CCCl)c1ccccc1)\c1ccc(O)cc1
C\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
NCCOc1ccc(cc1)C(=C\c1ccccc1)\c1ccc(O)cc1
CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccccc1
CC\C(=C(\c1ccccc1)c1ccc(OCCN)cc1)c1ccccc1
[#6]-[#6]\[#6](-[#6]-[#6])=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7])cc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(F)cc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
NCCOc1ccc(cc1)C(=C1/CCc2ccccc12)\c1ccc(O)cc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCO)cc1)c1ccccc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCC(O)=O)cc1)c1ccccc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCCN)cc1)c1ccccc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccccc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccc(O)cc1
C(c1ccc(nc1)-c1ccccc1)n1ccnc1
Cc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
[O-][N+](=O)c1ccc(c(OCc2ccccc2)c1)-c1cccnc1
[O-][N+](=O)c1ccc(c(OCCc2ccccc2)c1)-c1cccnc1
[O-][N+](=O)c1ccc(c(OCCCc2ccccc2)c1)-c1cccnc1
[O-][N+](=O)c1ccc(c(OCc2ccccc2)c1)-c1ccncc1
[O-][N+](=O)c1ccc(c(OCCc2ccccc2)c1)-c1ccncc1
[O-][N+](=O)c1ccc(c(OCCCc2ccccc2)c1)-c1ccncc1
FC(F)(F)c1ccc(c(OCCc2ccccc2)c1)-c1ccncc1
N#Cc1ccc(c(OCCc2ccccc2)c1)-c1cccnc1
N#Cc1ccc(c(OCCc2ccccc2)c1)-c1ccncc1
[O-][N+](=O)c1ccc(Cc2cccnc2)c(OCCc2ccccc2)c1
[O-][N+](=O)c1ccc(Cc2ccncc2)c(OCCc2ccccc2)c1
Nc1ccc(c(OCc2ccccc2)c1)-c1cccnc1
Fc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
CC(C)(O)c1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
CC(C)(O)c1cncc(c1)-c1nc2ccc(F)cc2n1C1CC1
O=S(=O)(NCCc1ccccc1)c1ccc(cc1)-n1cc(nn1)-c1ccccc1
O=S(=O)(NCCc1ccccc1)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
Cc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1
O=Cc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1
[O-][N+](=O)c1ccc(OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1
Cc1ccccc1OCc1cn(nn1)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
O=S(=O)(NCCc1ccccc1)c1ccc(cc1)-n1cc(COc2cccc3ccccc23)nn1
O=S(=O)(NCCc1ccccc1)c1ccc(cc1)-n1cc(COc2ccc3ccccc3c2)nn1
O=c1ccc2ccc(OCc3cn(nn3)-c3ccc(cc3)S(=O)(=O)NCCc3ccccc3)cc2o1
O=c1cc(OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)NCCc2ccccc2)c2ccccc2o1
COc1ccc(CCNS(=O)(=O)c2ccc(cc2)-n2cc(nn2)-c2ccccc2)cc1OC
COc1ccc(CCNS(=O)(=O)c2ccc(cc2)-n2cc(COc3ccc(cc3)[N+]([O-])=O)nn2)cc1OC
CC(=O)c1ccccc1OCc1cn(nn1)-c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
O=c1cc(OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)c2ccccc2o1
COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc(cc2)[N+]([O-])=O)nn1
COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2C)nn1
COC(=O)c1ccccc1OCc1cn(nn1)-c1ccc(cc1)S(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1
COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2C(C)=O)nn1
COc1ccc(C=O)cc1OCc1cn(nn1)-c1ccc(cc1)S(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1
O=c1cc(OCc2cn(nn2)-c2cccc(c2)S(=O)(=O)N2CCc3ccccc3C2)c2ccccc2o1
COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1cccc(c1)-n1cc(COc2cc(=O)oc3ccccc23)nn1
Oc1ccc(SCCN(c2ccc(cc2)C#N)n2cnnc2)cc1
NS(=O)(=O)Oc1ccc(SCCN(c2ccc(cc2)C#N)n2cnnc2)cc1
NS(=O)(=O)Oc1ccc(SCCN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
NS(=O)(=O)Oc1ccc(SCCCN(c2ccc(cc2)C#N)n2cnnc2)cc1
NS(=O)(=O)Oc1ccc(SCCCCCN(c2ccc(cc2)C#N)n2cnnc2)cc1
Oc1ccc(cc1)S(=O)(=O)CCCN(c1ccc(cc1)C#N)n1cnnc1
NS(=O)(=O)Oc1ccc2CC(CN(c3ccc(cc3)C#N)n3cnnc3)CCc2c1
NS(=O)(=O)Oc1ccc2cc(CN(c3ccc(cc3)C#N)n3cnnc3)ccc2c1
NS(=O)(=O)Oc1ccc2n(CCN(c3ccc(cc3)C#N)n3cnnc3)ccc2c1
Cn1cc(CCN(c2ccc(cc2)C#N)n2cnnc2)c2cc(OS(N)(=O)=O)ccc12
NS(=O)(=O)Oc1ccc2occ(CCN(c3ccc(cc3)C#N)n3cnnc3)c2c1
Cn1nnc2ccc(cc12)C(c1ccc(OS(N)(=O)=O)cc1)n1cncn1
CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccccc2)c1
CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccc(OS(N)(=O)=O)cc2)c1
CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccc(OS(N)(=O)=O)c(Cl)c2)c1
CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccc(OS(N)(=O)=O)c(Br)c2)c1
NS(=O)(=O)Oc1ccc(Sc2cc(Cn3cncn3)cc(c2)C2(CCC2)C#N)cc1
NS(=O)(=O)Oc1ccc(Sc2cc(Cn3cncn3)cc(c2)C2(CC2)C#N)cc1
CC(C)(C#N)c1cc(Cn2cncn2)cc(Oc2ccc(OS(N)(=O)=O)cc2)c1
CC(C)(C#N)c1cc(Cn2cncn2)cc(\C=C\c2ccc(OS(N)(=O)=O)cc2)c1
COC(=O)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
C1Cc2cc(ccc2-n2c1nnc2-c1ccccc1)-c1cccnc1
COC(C)(C)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
Cc1nnc2CCc3cc(ccc3-n12)-c1cncc(c1)[C@](C)(O)C(F)(F)F |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](F)C[C@]12C |r,t:18|
[H][C@@]12C[C@H](C#N)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Sc3ccccc3)C(=O)CC[C@]12C |r,c:20|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C(=O)C(O)=C(C[C@]12C)C#N |r,c:23|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C(=O)c3[nH]ncc3C[C@]12C |r|
[H][C@@]12C[C@@H](C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C)n1ccnc1 |r,c:22,t:18|
[H][C@@]12C[C@@H](C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)n1ccnc1 |r,t:18|
[H][C@@]12C\C(=C/c3ccncc3)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:26|
[H][C@@]12C=CC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@](C)([C@H]2CC#N)C(C)=O |r,c:2,t:4|
[H][C@@]12CC=C3CC(O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](C)OC(=O)C[C@@]21[H] |r,t:3|
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@](C)([C@H]2CC#N)C(C)=O |r,t:4|
O=C1\C(CCc2ccccc12)=C/c1c[nH]cn1
Fc1ccc(cc1)C(c1cc2ccccc2o1)n1cncn1
Fc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
NS(=O)(=O)Oc1ccc(CCC(c2ccc(cc2)C#N)n2cncn2)cc1Br
NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2ccnc2)c(F)c1
[H][C@@]12C\C(=C/c3ccc(OCCCn4ccnc4)c(OC)c3)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:37|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3cc(NC(=O)c4ccncc4)c(O)cc3CC[C@@]21[H] |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(NC(=O)c4ccncc4)c3CC[C@@]21[H] |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](CC)C[C@]12C |r,t:18|
[H][C@]12C[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]3(CO1)CCC(=O)C=C23 |r,t:27|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](CC=C)CC2=CC(=O)C=C[C@]12C |r,c:25,t:21|
COc1ccc2CC\C(=C/c3c[nH]cn3)C(=O)c2c1
CCn1cc(C(c2ccccc2)n2ccnc2)c2ccccc12
CCc1nc(C)cn1Cc1ccccc1CC(O)=O
C(c1ccccc1)n1c2ccccc2c2ccccc12
[H][C@@]12C\C(=C/c3ccc4OCOc4c3)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:34,t:30|
[H][C@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])CC[C@]3(C)C1=NN(C)[C@@H]2c1ccccc1 |r,c:13,27,t:9|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@H](CCCc3ccccc3)C[C@@]21[H] |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@@H](CCCc3ccccc3)C[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@H](CCCc3ccccc3)C[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@@H](CCCc3ccccc3)C[C@@]21[H] |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@H](Cc3ccccc3)C[C@@]21[H] |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@@H](Cc3ccccc3)C[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@H](Cc3ccccc3)C[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@@H](Cc3ccccc3)C[C@@]21[H] |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@H](C)C[C@@]21[H] |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@@H](C)C[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@H](C)C[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3[C@@H](C)C[C@@]21[H] |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)C=C[C@]12C)Sc1ccc(Br)cc1 |r,c:22,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3cc(F)c(O)cc3CC[C@@]21[H] |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Cl)cc34)[C@@H]1CCC2=O |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Br)cc34)[C@@H]1CCC2=O |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3cc(C)c(O)cc3CC[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(F)c(O)cc3CC[C@@]21[H]
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(Cl)c(O)cc3CC[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(Br)c(O)cc3CC[C@@]21[H]
Cc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](C)C[C@]12C |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C)(C)C[C@]12C |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(=C)C[C@]12C |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@@H](C)C[C@]12C |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](Cl)C[C@]12C |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](Br)C[C@]12C |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@H](O)C[C@]12C |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@@H](C[C@]12C)OC |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)[C@@H](C[C@]12C)OCC |r,t:18|
[H][C@@]12C[C@@H](Br)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=CC(=O)CC[C@]12C |r,t:20|
[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=CC(=O)CC[C@]12C |r,t:20|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=C[C@@H](CC[C@]12C)OC |r,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C)=C[C@]12C |r,c:23,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](Br)C2=CC(=O)C(C)=C[C@]12C |r,c:24,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)C(CCCCCC)=C[C@]12C |r,c:18,29|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(OC)=C[C@]12C |r,c:24,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(CCCc3ccccc3)=C[C@]12C |r,c:32,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C(=O)CCC[C@]12C |r,t:17|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2[C@@H](O)CCC[C@]12C |t:17|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2[C@H](CCC[C@]12C)OC(C)=O |t:17|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(C(=O)CC[C@]12C)c1ccc(OS(N)(=O)=O)cc1 |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCCC)C2=CC(=O)CC[C@]12C |r,t:23|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCCCC)C2=CC(=O)CC[C@]12C |r,t:24|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCCCCCC)C2=CC(=O)CC[C@]12C |r,t:26|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CCCCC)C2=CC(=O)CC[C@]12C |r,t:23|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CCCCCC)C2=CC(=O)CC[C@]12C |r,t:24|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CCCCCCCC)C2=CC(=O)CC[C@]12C |r,t:26|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C)C2=CCCC[C@]12C |r,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](OC(C)=O)C2=CCCC[C@]12C |r,t:22|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](OC)C2=CCCC[C@]12C |r,t:20|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC)C2=CCCC[C@]12C |r,t:20|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OC(C)=O)C2=CCCC[C@]12C |r,t:22|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OC)C2=CCCC[C@]12C |r,t:20|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C |r,t:16,19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CC)C2=CC(=O)CC[C@]12C |r,t:16,20|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCC)C2=CC(=O)CC[C@]12C |r,t:16,21|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCC)C2=CC(=O)CC[C@]12C |r,t:16,22|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCC)C2=CC(=O)CC[C@]12C |r,t:16,23|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCCC)C2=CC(=O)CC[C@]12C |r,t:16,24|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCCCC)C2=CC(=O)CC[C@]12C |r,t:16,25|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C |r,c:16,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)C=C[C@]12C |r,c:23,t:16,19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CC)C2=CC(=O)C=C[C@]12C |r,c:24,t:16,20|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCC)C2=CC(=O)C=C[C@]12C |r,c:25,t:16,21|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCC)C2=CC(=O)C=C[C@]12C |r,c:26,t:16,22|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCC)C2=CC(=O)C=C[C@]12C |r,c:27,t:16,23|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCCC)C2=CC(=O)C=C[C@]12C |r,c:28,t:16,24|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCCCC)C2=CC(=O)C=C[C@]12C |r,c:29,t:16,25|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CCc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:27|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCCc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:29|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:16,26|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:16,27|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCc2ccccc2)C2=CC(=O)C=C[C@]12C |r,c:31,t:16,27|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OC(=O)CCCCC)C2=CC(=O)CC[C@]12C |r,t:26|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OCc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:27|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](Br)C2=CC(=O)C(C)(C)C[C@]12C |r,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](Br)C2=CC(=O)C(C)(C)C[C@]12C |r,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C2=CC(=O)CC[C@]12C)c1ccc(O)cc1 |r,c:16,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C2=CC(=O)CC[C@]12C)c1ccc(OS(N)(=O)=O)cc1 |r,c:16,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C2=CC(=O)CC[C@]12C)c1ccc(O)cc1 |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C2=CC(=O)CC[C@]12C)c1ccc(OS(N)(=O)=O)cc1 |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C2=CC(=O)C=C[C@]12C)c1ccc(O)cc1 |r,c:16,22,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C2=CC(=O)C=C[C@]12C)c1ccc(OS(N)(=O)=O)cc1 |r,c:16,22,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=CCC[C@]12C |r,c:19,t:17|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CCCC[C@]12C |r,t:17|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=CCC[C@]12C |r,c:19,t:17|
[H][C@@]12O[C@@]11C(=O)C[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC2=O |r|
[H][C@@]12O[C@@]11C(=O)C[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@]1(CCC2=O)C=O |r|
[H][C@]12O[C@]11C(=O)CCC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])C2=O |r|
[H][C@]12O[C@]11C(=O)CCC[C@]1(C=O)[C@@]1([H])CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])C2=O |r|
[H][C@@]12O[C@@]11CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC2=O |r|
[H][C@@]12O[C@@]11CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@]1(CCC2=O)C=O |r|
[H][C@@]12O[C@@]11CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(CO)CCC2=O |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OC(=O)CBr)C2=CC(=O)CC[C@]12C |r,t:23|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CCCC)C2=CC(=O)CC[C@]12C |r,t:22|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](Cc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:26|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C)C2=CC(=O)CC[C@]12C |r,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CC)C2=CC(=O)CC[C@]12C |r,t:20|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCC)C2=CC(=O)CC[C@]12C |r,t:22|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C=C)C2=CC(=O)CC[C@]12C |r,t:20|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C\C(=C/C)C2=CC(=O)CC[C@]12C |r,t:20|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC#C)C2=CC(=O)CC[C@]12C |r,t:21|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CC#C)C2=CC(=O)CC[C@]12C |r,t:21|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC[N+]([O-])=O)C2=CC(=O)C=C[C@]12C |r,c:27,t:23|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC=O)C2=CC(=O)C=C[C@]12C |r,c:25,t:21|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CC2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)C2=CC(=O)C=C[C@]12C |r,c:29,40,t:24,36|
[H][C@]1(CO1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |r,c:10|
[H][C@@]1(CO1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |r,c:10|
[H][C@]1(CN1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |r,c:10|
[H][C@@]1(CN1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |r,c:10|
[H][C@]1(CN1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](O)[C@@]3(C)CC[C@]21[H] |r,c:10|
[H][C@@]1(CN1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](O)[C@@]3(C)CC[C@]21[H] |r,c:10|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=CC(=O)C(C)(C)C[C@]12C |r,t:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=C(O)C(=O)C(C)(C)C[C@]12C |r,c:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=C(O)C(=O)CC[C@]12C |r,c:19|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](OC(C)=O)[C@@H](N=[N+]=[N-])C2=CC(=O)CC[C@]12C |r,t:25|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=CC2=CC(=O)C=C[C@]12C)c1ccccc1 |r,c:16,22,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(Cc2ccccc2)=CC2=CC(=O)C=C[C@]12C |r,c:24,30,t:26|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(CCc2ccccc2)=CC2=CC(=O)C=C[C@]12C |r,c:25,31,t:27|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1ccc(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1 |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1 |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1cccc2ccccc12 |r,t:18|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1ccc2ccccc2c1 |r,t:18|
O=c1c(Cc2ccncc2)coc2ccccc12
Fc1ccc2c(c1)occ(Cc1ccncc1)c2=O
Fc1ccc2c(c1)oc(Cc1ccncc1)cc2=O
COc1ccc2c(c1)occ(Cc1c[nH]cn1)c2=O
Fc1ccc2c(c1)occ(Cc1c[nH]cn1)c2=O
C[C@H](O)C\C=C\CCCCC1Cc2cc(O)cc(O)c2C(=O)O1 |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,c:10,t:17|
[H][C@]12CCC[C@]3(C)[C@@]4([H])CC[C@]5(C)C(=O)CC[C@@]5([H])[C@]4([H])CC[C@]13O2 |r|
[H][C@]12C[C@@]1([H])[C@]1([H])CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC2 |r|
COC(=O)c1ccccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Cc1cc(ccc1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
COc1ccc(cc1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
[O-][N+](=O)c1cccc(Cl)c1Oc1cccc(c1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Fc1ccc(cc1Cl)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc2OCCOc2c1
O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1cccc2nsnc12
O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc2nsnc2c1
OC(=O)c1cc(ccc1O)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
COc1ccc(c(OC)c1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Clc1cc(ccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1)C#N
Fc1ccc(cc1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc(cc1)C#N
Fc1ccc(c(F)c1F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
COc1ccc(cc1Br)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
COc1ccc(cc1OC)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Fc1ccc(cc1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Cc1cc(F)ccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1
COc1cc(ccc1S(=O)(=O)N1CCCC(Cn2ccnc2)C1)[N+]([O-])=O
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
[O-][N+](=O)c1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
COc1c(C)cc(c(C)c1C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
COc1c(C)cc(cc1C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
COc1ccc(c(C)c1C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
Fc1cc(ccc1OC1CCCC1)S(=O)(=O)N1CCCC(Cn2ccnc2)C1
O=S(=O)(N1CCCC(Cn2ccnc2)C1)c1ccc(OC2CCCC2)cc1
COc1ccc2c(Cc3ccccc3)c(-c3ccc(Cl)cc3)c(=O)oc2c1
CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
NS(=O)(=O)Oc1ccc(CC(c2ccc(cc2)C#N)n2cncn2)cc1Br
Fc1ccc(cc1)-c1cc(-n2cccc2)c2ccccc2n1
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C(=O)c3[nH]ccc3C[C@]12C |r|
[H][C@@]12CC(C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C)n1ccnc1 |r,c:22,t:18|
[H][C@@]12CC(C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)n1ccnc1 |r,t:18|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](CC=C)CC2=CC(=O)C=C[C@]12C |r,c:25,t:21|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](CC=C)CC2=CCCC[C@]12C |r,t:21|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](CC=C)CC2=CC(=O)CC[C@]12C |r,t:21|
CC(=C(c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O
[#6]-[#6]\[#6](=[#6](\c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1)-c1ccc(cc1)-[#7+](-[#8-])=O
[#6]-[#6]\[#6](=[#6](\c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1
[#6]\[#6](=[#6](\c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1
CCC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccccc1
[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccc(-[#7])cc1
CCC(=C(c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
[#6]\[#6](=[#6](\c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1)-c1ccc(cc1)-[#7+](-[#8-])=O
CC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O
[#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccc(-[#7])cc1
CCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Cn1ccnc1S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
CS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)O1 |r|
FC(F)(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
FC(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccs2)O1 |r|
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)CC#N)O1 |r|
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CCOCC2)O1 |r|
CS(=O)(=O)CS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
COCCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Cc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1
C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r|
Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12
CCc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1
Fc1cncc(c1)-c1nc2cc(F)c(Cl)cn2c1C1CC1
Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc(F)c1
COc1ncnc(NS(=O)(=O)c2ccc(N\C=C/C(=O)c3cc4ccccc4oc3=O)cc2)c1OC
Cc1ccnc(NS(=O)(=O)c2ccc(N\C=C/C(=O)c3cc4ccccc4oc3=O)cc2)n1
O=C(\C=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1)c1cc2ccccc2oc1=O
O=C(\C=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)c1cc2ccccc2oc1=O