677 SMILES Strings for Tyrosine-protein phosphatase non-receptor type 7

Compound Name
SMILES String
c1ccc(cc1)[C@@H](C(=O)O)O
O[C@@H](C(O)=O)c1ccccc1 |r|
OC(=O)CCCC#C
Cn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O
O=C1C(Cc2ccccc12)Sc1nnc(-c2ccco2)c(n1)-c1ccco1
OC(=O)C1Nc2ccc(cc2C2C=CCC12)[N+]([O-])=O |c:13|
CC(=O)Nc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:12|
NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:12|
COc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:10|
Cc1cc(C)c2NC(C3CC=CC3c2c1)C(O)=O |c:10|
OC(=O)C1Nc2ccccc2C2C=CCC12 |c:13|
Cc1ccc(C)c2C3C=CCC3C(Nc12)C(O)=O |c:8|
Cc1ccc2C3C(Cl)C(CC3C(Nc2c1Cl)C(O)=O)Sc1ccccc1[N+]([O-])=O
c1cc(c2c(c1C(=O)O)N[C@H]([C@@H]3[C@H]2C=CC3)C(=O)O)[N+](=O)[O-]
Cc1cc(C)c2C3C=CCC3C(Nc2c1)C(O)=O |c:7|
OC(=O)C1Nc2c(Cl)cc(Cl)cc2C2C=CCC12 |c:15|
OC(=O)C1Nc2ccc(Br)cc2C2C=CCC12 |c:14|
OC(=O)C1Nc2c(cccc2C(=O)Oc2ccc(cc2)-c2ccccc2)C2C=CCC12 |c:30|
OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
OC(=O)c1ccc(cc1)-c1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
OC(=O)C1Nc2c(cccc2C(F)(F)F)C2C=CCC12 |c:17|
Cc1cc(I)cc2C3C=CCC3C(Nc12)C(O)=O |c:8|
OC(=O)C1Nc2c(I)cccc2C2C=CCC12 |c:14|
OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(O)=O |c:13|
CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
Brc1cnc2c(c1)nc1s\c(=C/c3ccco3)c(=O)n21
Brc1cccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)c1
[O-][N+](=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Clc1ccccc1\C=c1/sc2nc3cc(Br)cnc3n2c1=O
CCn1c(SCC(O)=O)nc2sc3CCCCc3c2c1=O
CCOc1cc2C3C=CCC3C(Nc2c(c1)[N+]([O-])=O)C(O)=O |c:7|
Cc1ccc2c(nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n23)c1C
Cc1cc2nc3s\c(=C\c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2cc1C
Cc1cc2ccccn2c1C(=O)C(O)=O
OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)Oc1ccc2ccccc2c1 |c:13|
OC(=O)C1Nc2cc(Cl)cc(Cl)c2C2C=CCC12 |c:15|
CC(C)COC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|
CCCCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|
Clc1cc(Cl)cc(c1)-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
CCOC(=O)c1ccccc1OC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:23|
OC(=O)C1Nc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2C2C=CCC12 |c:25|
COC(=O)c1ccccc1OC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:22|
OC(=O)C1Nc2c(Cl)cc(Cl)c(Cl)c2C2C=CCC12 |c:16|
NC(=O)c1cccc2C3C=CCC3C(Nc12)C(O)=O |c:9|
Cc1cc(cc2C3C=CCC3C(Nc12)C(O)=O)[N+]([O-])=O |c:7|
OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|
Cc1ccc2c(NC(NS2(=O)=O)C(O)=O)c1
OC(=O)C1Nc2cc(ccc2S(=O)(=O)N1)C(F)(F)F
COc1ccc(cc1)N1Cc2cccc(C(O)=O)c2C1=O
Clc1cccc(Cl)c1COc1nnc(-c2cccs2)c(n1)-c1cccs1
CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Clc1ccccc1CSc1nnc(-c2ccco2)c(n1)-c1ccco1
CCCCCCCCC#CC#CCCCC(O)=O
CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
Oc1c(cc(c2cccnc12)S([O-])(=O)=O)N=Nc1ccc2cc(ccc2c1)S([O-])(=O)=O |w:16.18|
O=C1CC(=O)N(Cc2ccco2)C(=O)N1
O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1
C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Cc1ccc(C)n1C(Cc1ccccc1)C(O)=O
Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|
OC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:14|
COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|
Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:9|
OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
CCCCCCCCCCCCCCCCCCC#C
CCCCCCCCCCCCCCCCCCC#CCCCCCCCC(O)=O
CCCCCCCCCCCCCCCCCCC#CCCCCCCCCCCC(O)=O
CCCCCCCCCCCCCCCCCCC#CCCCCCCCCCCCC(O)=O
CCCCCCCCCCCCCCCCCCC=CCCCCCC(O)=O
Cn1c(=O)n(CC(N)=O)c(=O)n(-c2ccccc2)c1=O
Cn1c(=O)n([C@@H](Cc2ccccc2)C(N)=O)c(=O)n(-c2ccccc2)c1=O
CCn1c(=O)n(C)c(=O)n([C@@H](Cc2ccccc2)C(N)=O)c1=O
Cn1c(=O)n([C@@H](Cc2ccccc2)C(N)=O)c(=O)n(-c2ccc(Cl)cc2)c1=O
NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O
C[C@@H](C(N)=O)n1c(=O)n(Cc2ccccc2)c(=O)n(-c2ccccc2)c1=O
C[C@@H](C(N)=O)n1c(=O)n(Cc2ccccc2C)c(=O)n(-c2ccccc2)c1=O
CC(C)[C@@H](C(O)=O)n1c(=O)n(Cc2ccccc2C)c(=O)n(-c2ccccc2)c1=O
NC(=O)[C@H](Cc1ccccc1)n1c(=O)n(Cc2ccc(Br)cc2)c(=O)n(-c2ccccc2)c1=O
CC(C)[C@@H](C(N)=O)n1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O
CC(C)[C@@H](C(N)=O)n1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1=O
CCn1c(=O)n(CC)c(=O)n([C@@H](Cc2ccccc2)C(O)=O)c1=O
CCn1c(=O)n(Cc2ccccc2C)c(=O)n([C@@H](Cc2ccccc2)C(O)=O)c1=O
CCn1c(=O)n(Cc2ccc(cc2)N(O)O)c(=O)n([C@@H](Cc2ccccc2)C(O)=O)c1=O
CCCCCCn1c(=O)nc(NCc2ccccc2OC)[nH]c1=O
CCCn1c(=O)nc(NCc2ccc(C)cc2)[nH]c1=O
COc1ccc(cc1)-n1c(=O)nc(NCCc2cccc(Cl)c2)[nH]c1=O
COCCCNc1nc(=O)n(-c2ccc(F)cc2)c(=O)[nH]1
CCCn1c(=O)nc(NCCc2ccccc2)[nH]c1=O
CCCn1c(=O)nc(NCc2ccccc2OC)[nH]c1=O
O=c1nc(NCCc2ccccc2)[nH]c(=O)n1-c1ccccc1
CC(C)CNc1nc(=O)n(-c2ccc(F)cc2)c(=O)[nH]1
COCCCNc1nc(=O)n(-c2ccc(C)cc2)c(=O)[nH]1
CCOC(=O)C1Nc2c(O)cc(C)cc2C2C=CCC12 |c:17|
CCOC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:16|
CCOC(=O)C1Nc2c(O)ccc(C)c2C2C=CCC12 |c:17|
CCOC(=O)C1Nc2c(OC)cccc2C2OCCC12
CCOC(=O)C1Nc2c(OC)cccc2C2OCCCC12
Cc1ccc(O)c2NC(C3CC=CC3c12)C(O)=O |c:11|
Cc1cc(O)c2NC(C3CC=CC3c2c1)C(O)=O |c:10|
OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12 |c:23|
OC(=O)C1Nc2c(cccc2N2CCOCC2)C2C=CCC12 |c:20|
OC(=O)C1Nc2c(F)cccc2C2C=CCC12 |c:14|
CCC(CC)c1nnc(NC(=O)Cc2cccs2)s1
O=C(Cc1cccs1)Nc1ccon1
Cc1cc(NC(=O)\C=C\c2cccs2)no1
Cc1cc(NC(=O)CCc2ccc(C)o2)no1
Cc1cc(NC(=O)c2cccs2)no1
Cc1cc(NC(=O)Cc2ccc(C)cc2)no1
CCCCCc1nnc(NC(=O)Cc2cccs2)s1
Cc1cc(NC(=O)Cc2cccs2)no1
O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
CCOC(=O)C1=C(N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1)c1ccccc1 |t:5,7|
COc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
c1coc(c1)-c1nc2ccccc2nc1-c1ccco1
O=S(=O)(N1CCOCC1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(NC1CCCC1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCSCC1
CC1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(NCCC1=CCCCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |t:5|
O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCC(C1)c1ccccc1
COc1cccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCOCC1
[H]C12CC(C)(CN1C(=O)Nc1ccc3nc(-c4ccco4)c(nc3c1)-c1ccco1)CC(C)(C)C2 |TLB:7:6:2:31.30.34|
CCN(CC)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |w:7.6|
O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1
O=C(NCc1ccc2OCOc2c1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCOc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
CNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
OCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Clc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
O=C(NCCc1ccccc1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)Nc1cccc2ccccc12
O=C(Nc1ccccc1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
O=C(NCc1ccccc1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(NC1CCCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(NC1CCCCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(NCc1ccco1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCOC(=O)CCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Clc1cccc(Cl)c1NC(=S)NCCc1ccccc1
COc1cc(ccc1O)C(=S)N1CCC(C)CC1
S=C(N1CCOCC1)c1cn(CCOc2ccccc2)c2ccccc12
S=C(N1CCCC1)c1cn(CCOc2ccccc2)c2ccccc12
OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccccc1
CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1
CCOc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)N1CCN(C)CC1
NS(=O)(=O)c1ccc(NC(=S)NC2CC2)cc1
NS(=O)(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1
NS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1
COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(O)=O
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8|
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
CC(C)OC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
Fc1ccc(OCCn2cc(C(=S)N3CCCCC3)c3ccccc23)cc1
CC(C)(Oc1ccc2sc3ccccc3c2c1)C(O)=O
CSc1ccc(OCC(O)=O)cc1C
Cc1cc(OCC(O)=O)ccc1S(C)=O
Cc1cc(OCC(O)=O)ccc1S(C)(=O)=O
c1ccc2cc(ccc2c1)OCC(=O)O
[O-][N+](=O)c1ccc(OC(=O)COc2c(Cl)cccc2Cl)cc1
COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
COc1cc(ccc1O)C(=S)N1CCCCC1
CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(Br)c(OCC(O)=O)c(OC)c2)cc1 |w:13.14,t:7|
CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1cccc(C)c1
CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1ccccc1O
NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
CN(C)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
NS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
CNS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
CCN1CCN(CC1)C(=S)c1ccc(O)c(OC)c1
COc1cc(ccc1O)C(=S)N1CCCC1
OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(O)=O |c:21|
COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1OC
OC(=O)c1cccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Cl)c1
OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2)cc1
OC(=O)c1ccc(cc1)C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)\C#N
COC(=O)c1ccc(COc2ccc3cc(-c4ccc(F)cc4)c(=O)oc3c2)cc1
COc1cc(\C=C(/C#N)c2ccc(F)cc2)ccc1OCc1ccc(cc1)C(O)=O
CCOc1cc(\C=C(\C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(cc1)C(O)=O
OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Cc1c(sc2nc(C=Cc3ccc(C)c(c3)[N+]([O-])=O)[nH]c(=O)c12)C(O)=O |w:7.6|
OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
OC(=O)COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
COc1cc(ccc1O)C(=S)NC(C)(C)C
COc1cc(ccc1O)C(=S)NC1CCCCC1
CCC(CC)NC(=S)c1ccc(O)c(OC)c1
CCN(CC)C(=S)c1ccc(O)c(OC)c1
COc1cc(ccc1O)C(=S)NCc1ccccc1
COc1cc(ccc1O)C(=S)NC1CCCC1
S=C(N1CCCCC1)c1cn(CCOc2ccccc2)c2ccccc12
S=C(NC1CCCCC1)c1cn(CCOc2ccccc2)c2ccccc12
S=C(NCc1ccccc1)c1cn(CCOc2ccccc2)c2ccccc12
O=C(NCc1ccccc1)c1cn(CCOc2ccccc2)c2ccccc12
CN(C)C(=O)c1cn(CCOc2ccccc2)c2ccccc12
CNC(=O)c1cn(CCOc2ccccc2)c2ccccc12
CCN(CC)C(=O)c1cn(CCOc2ccccc2)c2ccccc12
CC(C)NC(=S)c1cn(CCOc2ccccc2)c2ccccc12
NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCCc2ccccc12
CCOc1ccc2nc(NC(=O)CSc3cc(O)c4c(C)c(C)sc4n3)sc2c1
Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCC1
O=C(CSc1nc(nc2sc3CCCCc3c12)C1CC1)NCc1ccc2OCOc2c1
CCOC(=O)C1=C(C)N=c2s\c(=C\c3cc(Cl)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl |c:5,t:8|
COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCC(O)=O
Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3ccc(cc3)C(O)=O)C2=O)cc1
COc1cc(C=C2SC(Nc3cccc(Br)c3)=NC2=O)ccc1OCC(O)=O |w:5.4,c:17|
CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)c(Cl)c2)cc1 |w:13.14,t:7|
CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1OCC |w:12.11,c:24|
CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(I)c1OCC(O)=O |w:6.5,c:17|
CCOc1cc(C=C2SC(Nc3ccc4ccccc4c3)=NC2=O)cc(Cl)c1OCC(O)=O |w:6.5,c:22|
Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
CCOc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)OC
CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|
NS(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1cccc(Cl)c1
NS(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1ccc2CCCc2c1
OC(=O)c1ccc(C=c2sc(=CC(=O)c3ccco3)[nH]c2=O)cc1
CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
COC(=O)COc1ccc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1 |w:10.9,c:22|
COc1cc(ccc1O)C(=S)NCc1ccc(C)cc1C
COc1cc(ccc1O)C(=S)NCc1ccc(F)c(C)c1
COc1cc(ccc1O)C(=S)NCc1ccc(Cl)c(C)c1
COc1cc(ccc1O)C(=S)NCc1ccc(O)cc1
COc1cc(ccc1O)C(=S)NCc1ccc(F)c(c1)C(F)(F)F
O=c1n2CCCc2nc2sc3CCCc3c12
CN(Cc1ccccc1)c1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1
CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)N1CCCC1
Cc1cc(C)n(n1)-c1nc(Nc2ccccc2)nc(n1)-n1nc(C)cc1C
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
COCC(=O)N1CCC(CC1)n1nnc2cc(F)ccc12
FC(F)(F)c1cccc(CNC(=O)C2CCCN(C2)c2ncccn2)c1
CC(C)(Nc1ccccc1)C#N
CCOc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1ccoc1C |(8.47,-3.04,;8.47,-1.5,;9.81,-.73,;11.14,-1.5,;11.14,-3.04,;12.47,-3.81,;13.81,-3.04,;13.81,-1.5,;12.47,-.73,;12.47,.81,;11.23,1.71,;9.76,1.24,;8.62,2.27,;7.15,1.79,;6.83,.29,;6.01,2.82,;4.54,2.35,;3.08,1.87,;4.07,3.81,;5.02,.88,;11.7,3.18,;13.24,3.18,;13.72,1.71,;15.18,1.24,;15.66,-.23,;17.2,-.23,;17.68,1.24,;16.43,2.14,;16.43,3.68,)|
[H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccccc1
Nc1nc(Nc2cccc3ccccc23)nc(n1)C1CCCC1=O
C(c1ccc2OCOc2c1)n1cnnn1
Nc1nc(SCC=C)ns1
Cc1c([nH]c2ccc(OCc3ccccc3)cc12)C(=O)N1CCOCC1
COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccc(F)cc1
CC(C)(C)n1nnnc1C(N1CCCC2(CCCCC2)C1)c1ccc(cc1)C#N
CC(C)C(OC(=O)c1cccs1)C(=O)NCc1ccco1
Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc12
COc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1OC
CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CCCCC1
CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)s1
Cn1c2nc(SCc3cccnc3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O
Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C([O-])=O |t:9|
CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O |c:10|
c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O
c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C([O-])=O |t:5|
CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
COc1ccc(cc1)C(=O)c1n[o+]n([O-])c1C(=O)c1ccc(OC)cc1
CCOC(=O)C(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl
CCn1c(SC(C)C(O)=O)nc2sc3CCCc3c2c1=O
CCn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O
[O-]n1[o+]nc(C(=O)c2cccs2)c1C(=O)c1cccs1
CNC(=O)N(c1ccccc1)c1ccccc1
NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4CCCCCc4sc3n12
OC(C(O)=O)c1ccco1
CNC(=O)N(O)C1N(C)C(=O)N(CC(=O)OC)C1(C)C
CC(=O)Oc1oc(nc1C=Nc1ccccn1)-c1ccccc1 |w:10.11|
Cc1nc2C(O)c3ccccc3CCc2o1
O=C(N1CCOCC1)c1ccc(=O)oc1
Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nnc(o2)-c2ccco2)cc1
CN1CCN(CCOc2ccccc2OCc2cc(C)on2)CC1
COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1
Cc1ccc(cc1)C(=O)c1c[nH]nc1-c1cc(Cl)ccc1O
CN1CCc2c(C1)sc1NC(NC(=O)c21)c1cccs1
CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccc(C)cc1
CC(C)(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
OCCNc1ncnc2n(Cc3ccco3)c(c(-c3ccccc3)c12)-c1ccccc1
COc1ccc2c(c1)[nH]c1c2ncn(CC2CCCO2)c1=O
CN(C)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1Cl
CCn1c(SCC(=O)N2CCOCC2)nc2oc3c(Cl)cc(Cl)cc3c(=O)c2c1=O
CCC(C)[C@H](NC(=O)NCC1CCCO1)C(=O)OC
CN(C)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccc(Cl)cc1Cl
CC(C)(C)OC(=O)N1CC(O)CC1C(=O)OCC(=O)c1ccc(Cl)cc1
CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccccc1
CC1(C)CC(=O)c2cnc(NC(=O)c3ccco3)nc2C1
CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
COn1cnnc1-c1ccccc1
COc1ccc(OC)c(c1)-n1c(O)c2o[nH]c(-c3ccccc3Cl)c2c1=O |(3.08,-4.13,;4.62,-4.13,;5.39,-2.79,;4.62,-1.46,;5.39,-.13,;6.93,-.13,;7.7,1.21,;6.93,2.54,;7.7,-1.46,;6.93,-2.79,;9.24,-1.46,;10.15,-2.71,;9.67,-4.17,;11.61,-2.23,;13.07,-2.7,;13.97,-1.46,;13.07,-.22,;13.55,1.24,;12.52,2.39,;13,3.85,;14.5,4.17,;15.53,3.02,;15.05,1.56,;16.08,.41,;11.61,-.69,;10.15,-.21,;9.67,1.25,)|
Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1 |c:13|
CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1
N=c1n(CCN2CCOCC2)cnc2sc3CCCCc3c12
Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O
Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
CCn1c2ccccc2c2nnc(SCC(=O)N3CC(C)OC(C)C3)nc12
Fc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1Cl)C(=O)NCCCN1CCCC1=O
CCN(CC)c1ccc(cc1)C(=O)OCC(=O)N1CCN(CC1)c1ccccc1
CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc2CCCc2s1
c1cc(ccc1C2(CCC2)C(=O)O)Cl
CC(=N)C(C#N)C(=O)CSc1nnc(Nc2c(C)cccc2C)s1
OC1C(F)C(COC(=O)c2ccccc2)OC1n1cnc2c(NC(=O)c3ccccc3)ncnc12
O=C(NCc1ccco1)c1c2CCCc2nc2ccccc12
NC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1
CCc1ccccc1NC(=O)CN(C)Cc1nc(N)nc(Nc2ccccc2C)n1
O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1)NCc1ccco1
COc1ccc(-c2n[nH]c(c2-c2cc3ccccc3o2)C(F)(F)F)c(O)c1
c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Cc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SCC(=O)NCc1ccco1
CCOc1cccc2cc(C(=O)Nc3nccs3)c(=O)oc12
COc1ccccc1CNC(=O)Nc1cccs1
COc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccnc2)cc1
COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1
FC(F)(F)c1ccc(Cl)c(NC(=O)C2CCN(CC2)c2nnc(s2)-n2cccc2)c1
Clc1ccc2c(c1)[nH]c(=O)n(CCCC(=O)NCCN1CCN(CC1)c1ccccc1)c2=O
OC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
OC(=O)c1cccc(c1)-n1cccc1CN=O
CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCC(C)CC1
Cc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
COc1ccc(NC(=O)CN2CCN(CC2)c2ccccc2F)cc1
COC(=O)c1ccccc1NC(=O)c1noc2CCCc12
Brc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1cccs1
OC1C(Sc2ccccc2NC1=O)c1ccccc1
OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OC1CCCCC1 |c:13|
Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C1)C(=O)Nc1ccc2OCCOc2c1
O=C(CCCn1c(=S)[nH]c2ccsc2c1=O)NCc1ccco1
[H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O |c:5,TLB:30:7:2:6.5,THB:9:8:2:6.5|
CCOC(=O)COc1ccc(cc1)C1NC(CS1)C(O)=O
COc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1
COc1ccccc1Oc1ccc(cc1)S(=O)(=O)NCc1ccccn1
COc1ccc(Br)cc1C(=O)Nc1cccc(c1)-c1nnc(o1)-c1ccco1
[H]C12C3C(C(=O)N(CC(=O)N4CCOCC4)C3=O)C([H])(c3ccccc13)c1ccccc21 |TLB:27:26:2.3:25.20,21:20:2.3:31.26,16:2:25.20:31.26,THB:30:31:2.3:25.20,24:25:2.3:31.26,4:3:25.20:31.26,(13.92,1.26,;13.9,2.22,;10.07,.52,;10.84,-.81,;9.81,-1.94,;10.13,-3.45,;8.41,-1.32,;7.08,-2.09,;7.08,-3.63,;8.41,-4.4,;5.75,-4.4,;4.41,-3.63,;3.08,-4.4,;3.08,-5.94,;4.41,-6.71,;5.75,-5.94,;8.57,.2,;7.43,1.23,;13.51,.73,;13.57,-.22,;12,3.52,;10.6,4.3,;10.59,5.91,;11.98,6.71,;13.36,5.9,;13.33,4.29,;16.33,-.44,;17.44,-1.59,;19,-1.19,;19.41,.36,;18.27,1.49,;16.73,1.05,)|
CCc1ccccc1N(CC(=O)OC)S(C)(=O)=O
Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2Cl)c1
Cc1ccc(C)n1-c1cccc(c1)C(O)=O
O=C(NC1CCN(Cc2ccccc2)CC1)Nc1ccc2OCOc2c1
Cc1cnn(c1)C(=S)NCc1ccc(Cl)cc1
Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3ncccc3o2)cc1
CNC(=O)C1=NCCCc2cc(OC)c(OC)cc12 |t:4|
CCC(=O)Nc1ccc(NC(=O)c2ccco2)c(OC)c1
COc1ccc(CC(=O)Nc2ccc(cc2)-c2nnc(o2)-c2ccc(C)cc2)cc1
OC(=O)C1CC=CCC1C(=O)Nc1ccc(F)c(F)c1 |c:5|
CN(Cc1nc(no1)-c1cccnc1)S(=O)(=O)c1ccc(Br)cc1
CCN(CC)CCNc1ccnc2cc(Cl)ccc12
c1ccc(cc1)-c1nn[nH]c1-c1ccccc1
O=C(NC1=NCCS1)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1 |t:3|
Fc1c(F)c(F)c(C(=O)Nc2nncs2)c(F)c1F
O=C(Nc1ccccc1)c1ccc(NCC2CCCO2)c(c1)S(=O)(=O)N1CCOCC1
Cc1nnc2sc(nn12)-c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2Cl)cc1
Cc1ccc(C)n1-c1ccc(cc1C)C(O)=O |(3.08,3.19,;4.54,3.66,;5.02,5.13,;6.56,5.13,;7.04,3.66,;8.5,3.19,;5.79,2.76,;5.79,1.22,;7.12,.45,;7.12,-1.09,;5.79,-1.86,;4.46,-1.09,;4.46,.45,;3.12,1.22,;5.79,-3.4,;7.12,-4.17,;4.46,-4.17,)|
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NC(N)=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
Cc1cc(NC(=O)c2ccc3C(=O)N(Cc4cccnc4)C(=O)c3c2)no1
Brc1ccc(cc1)-c1nnc2sc(CNC3CCCC3)cn12
Fc1cccc(CNC(=O)c2noc3CCCCc23)c1
CCCCNC(=O)c1cc(on1)-c1ccc(OC)c(OC)c1
Fc1ccc(CNC(=O)c2cc3ccccn3n2)cc1
Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC(C1)C(=O)N1CCn2c1nc1ccccc21
OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
COc1ccccc1N1CCN(CC1)S(=O)(=O)c1c[nH]cn1
COc1ccc(OC)c(c1)C1C(C(=O)Nc2ccccc2OC)C(C)=Nc2nc(CCCO)nn12 |c:26|
Cc1ccc(cc1)-n1nnc2c1ncn(CC(=O)NCc1ccco1)c2=O
COc1cccc2s\c(=N/C(=O)c3cccs3)n(CC#C)c12
CC(NC(=O)c1ccco1)C(N1CCOCC1)c1cccs1
COc1ccc(C(=O)Oc2ccc(cc2)C(C)=O)c(OC)c1
C1CN(CCO1)c1ncnc2scc(C3COc4ccccc4O3)c12
O=C(Nc1ccccn1)c1cccc(c1)S(=O)(=O)N1CCCCC1
CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1
Cc1cc(C)cc(OCCCCCNCCO)c1
O=C(OCN1C(=O)c2ccccc2C1=O)c1cccs1
O=C(CCSCCC(=O)NCc1ccco1)NCc1ccco1
O=C1CCCC2=C1C(Nc1ccc3ccccc3c21)c1ccco1 |c:5|
CC1(C)N(O)CC(c2cccs2)=[N+]1[O-] |c:12|
Fc1c(F)c(F)c(C(=O)NC2CCCCCC2)c(F)c1F
CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Cc1c(N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)c(=O)n(-c2ccccc2)n1C
CC(C)(CS([O-])(=O)=O)NC(=O)CC[N+](C)(C)CCO
O=C(NN=Cc1ccc2OCOc2c1)c1cc(nc2ccccc12)-c1ccncc1
CCOc1cc(\C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(cc1)C(O)=O
CCOc1cc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(C)cc3)n2)ccc1OCC(O)=O |w:7.7|
COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
COc1ccc(Cl)cc1C(=O)Nc1cccc(c1)-c1ccc2nncn2n1
OC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1 |w:14.15|
CCOc1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(O)=O)ccc1OCc1ccc(Br)cc1
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
CC(C)n1c(cc2occc12)C(=O)OCC(=O)NCc1ccc2OCOc2c1
Clc1ccc(NC(=O)CS(=O)CC(=O)NCC2OCCc3ccccc23)cc1
O=C(Nc1nccs1)c1ccc(cc1)S(=O)(=O)NCc1cccs1
CCCCCOc1ccc(CN2CCOCC2)cc1Cl
CC(C)Cc1nc(c(o1)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
Brc1ccc2Oc3ncnc(N4CCCCC4)c3N=Cc2c1 |c:20|
OCc1c(F)c(F)c(NCCNC2=CC(=O)CCC2)c(F)c1F |t:12|
CSCC[C@H](NC(=O)Nc1cccc(c1)C(F)(F)F)C(O)=O
COc1ccc(CNC(=O)c2cc(n[nH]2)-c2ccccc2O)cc1
CSc1nsc(SCC(=O)Nc2cccc(c2)C(C)=O)n1
COc1ccc2c(cc(nc2c1)N1CCOCC1)-c1ccccc1
COc1ccc(cc1C(=O)OCc1c(C)noc1C)S(=O)(=O)N1CCCCCC1
CCOc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)cn1
OC(=O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3-c4ccccc4C(=O)c1c23
CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
Cn1ncnc2c1nc(=O)n(C)c2=O
Cc1cc(cs1)C(=O)NCCCN1CCCC1=O
O=C(N1CCN(CC1)C(=O)c1ccncc1)c1ccncc1
COc1ccc(OC(C)C(=O)N2CC(C)OC(C)C2)cc1
COC(=O)C(C1CCCCCC1)C(=O)NCC1CCCO1
CC12CCC(=O)N1c1ccccc1C(=O)N2c1ccccc1
O=C(N1C(CCC1=O)c1ccccc1)c1cccnc1
Cc1ccc(cc1)S(=O)(=O)c1nc(oc1NCCN1CCOCC1)-c1ccccc1
Cn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1-c1cc2ccccc2o1
ClC1=CCC2C(C1)C(=O)N(CCC(=O)NCc1ccco1)C2=O |t:1|
CCNS(=O)(=O)c1cc(ccc1Cl)S(C)(=O)=O
CCOc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1
CCCC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O
CCCCOc1ccc(CN2CCCCC2)cc1
Brc1ccc(o1)C1Nc2cccc3cccc(N1)c23
COc1ccc(cc1OC)C(CCC#N)(CCC#N)C#N
CN(C)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
CSc1nc(nn1C(=O)c1ccco1)-c1ccc(Cl)cc1
Cc1cccnc1-n1c(C)nc2ccccc2c1=O |(4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;12.52,.33,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
Cc1ccc(OCC(=O)NN=Cc2ccco2)c(C)c1
COc1ccc(cc1)C1SCC(=O)N1CCCN(C)C
COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O |w:11.11|
Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1 |w:6.5|
CC(=O)c1ccc2NC(C3CC(Sc4ccccc4[N+]([O-])=O)C(Cl)C3c2c1)C(O)=O
COc1ccc(OCC(=O)NN=Cc2ccc(OC)c(OC)c2C(O)=O)cc1
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1
CCOC(=O)C(O)(c1ccc(NC(NC(=O)CCl)(C(=O)OCC)C(F)(F)F)cc1)C(F)(F)F
COc1ccc[c-](\C=[NH+]\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O
Brc1cccc(c1)C(=O)NNC(=O)C(=O)N1CCCCC1
Cc1cc2ncc(Cl)nc2cc1C
[H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)=O |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
CCOC(=O)NC(=O)C(C=Nc1ccc(C)cc1)C(=O)NC(=O)OCC |w:10.10|
CCOC1(C)OCC(=O)[C@]2(CCC3C4CCC5=CC(=O)C=CC5(C)C4C(=O)CC23C)O1 |c:20,t:16|
Cc1ccc(cc1)N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1
O=[#6](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](\C#N)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
CCC(C)NCCOCCOc1ccc(Cl)c(C)c1C
CCN(CCO)Cc1csc2ccc(cc12)C(C)(C)C
Cc1ccc(\C=C\C(=O)NC(=S)N(CC=C)CC=C)cc1
Cc1ccccc1Cn1cc(NC(=O)c2nn(C)cc2Cl)cn1
Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1ccc(F)c(c1)[N+]([O-])=O
Clc1ccc(CNC(=S)NC2CCCCC2)c(Cl)c1
FC(F)(F)CNC(=O)CNC(=O)c1ccc(Cl)cc1
Cc1ccc(NC(=O)COC(=O)c2cc(nn2-c2ccccc2)-c2cccs2)cc1[N+]([O-])=O
COC(=O)NN=C(C)c1ccc2ccccc2c1OC(F)F |w:5.4|
[H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1scc(c1C(=O)OCCC)-c1ccc(C)cc1C |TLB:12:7:6:3.2,THB:9:8:6:3.2|
COC(=O)C1=NN(C(=O)c2cccc(Cl)c2)C(O)(C1)C(C)(C)C |t:4|
CCOc1ccccc1-c1cc(C(=O)NN=Cc2ccc(O)c(OC)c2)c2ccccc2n1 |w:15.15|
Cc1occc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1
Brc1cncc(c1)C(=O)NCc1ccccc1
NC(=O)Nc1ccccc1C(=O)NCCc1ccccc1
CCSc1nnc(NC(=O)C2CCCCC2C(O)=O)s1
CC1=NN(C(=O)c2ccc(Cn3ccc(n3)[N+]([O-])=O)cc2)C(O)(C1)C(F)(F)F |t:1|
CCn1cc(Br)c(n1)C(=O)NC(=S)Nc1ccc(cc1)C(=O)OC
COc1ccc(cc1)N1CCN(CCOc2ccc3c(C)cc(=O)oc3c2)CC1
COc1ccc(Cl)cc1-c1nc(N)nc(NC2CCCCC2)n1
Oc1c2CCCCc2n(-c2ccccc2)c(=O)c1-c1ccccc1
COc1ccc2c(OC)cc(=O)n(C)c2c1
Cc1ccc(s1)-c1cc(C(=O)Nc2cc(C)cc(C)n2)c2ccccc2n1
CC(C)C(=O)Nc1cccc(c1)C(C)=NNC(=O)c1c(C)onc1-c1ccccc1Cl |w:14.15|
CCc1nc2cc(c(cc2[nH]1)[N+]([O-])=O)[N+]([O-])=O
Cc1nn(C)cc1C=NNC(=O)COc1cc(C)cc(C)c1
C(N1CCCCC1)c1csc2ccccc12
[H]C12C=CC([H])(C3C1C(=O)N(N=Cc1cccc(c1)[N+]([O-])=O)C3=O)C21CC1 |c:2,TLB:8:7:24:2.3,THB:22:6:24:2.3|
Cc1ccc2[nH]c(=O)cc(C(=O)OCC(=O)c3ccccc3)c2c1
CCn1cc(CNC(=O)c2cc(c(C)c(c2)[N+]([O-])=O)[N+]([O-])=O)cn1
OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(F)c1
Fc1ccc(NC(=O)CC2N(CCN3CCOCC3)C(=S)N(Cc3ccccc3)C2=O)cc1
Brc1ccc(cc1)C1=N\C(=C/c2ccco2)C(=O)O1 |t:8|
Oc1ccc(cc1)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Cc1cccc(c1)-n1cc(CN2CCN(CC2)C(=O)c2nnc[nH]2)c(n1)-c1cccc(F)c1
[O-][N+](=O)C1=CC(Br)=CC(\C=N\n2cnnc2)C1=O |c:6,t:3|
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)Cc1cccs1
O=C(NCc1ccco1)c1ccc2ccccc2n1
CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
CCCCC(C(N)Cc1ccc(F)cc1)C(=O)OCC
COC(=O)C1CCN(Cc2ccc(OCCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc2)CC1
Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)[nH]n1
Cc1ccc(C)n1-c1ccc(cc1)-c1cc[nH]n1
Clc1ccc(NC(=O)c2ccc(OC3CSC3)cc2)cc1
OC(=O)c1ccc(cc1)-n1c(O)cc(SC(=N)NN=Cc2ccc3OCOc3c2)c1O |w:18.18|
Cc1ccc(C)c(CN2C(=O)COc3ccc(cc23)C(=O)c2ccccc2C(O)=O)c1
CC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)cn2)cc1
Cc1[nH]c2ccccc2c1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O |w:11.13|
CC1Cc2ccccc2N1CC(=O)Nc1cccc(c1)S(N)(=O)=O
Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
COc1ccc(Cc2nnc(NC(=O)c3ccccc3F)s2)cc1OC
COc1ccc(cc1)N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc1ccccn1
COc1ccc(cc1OC)C1CC(=NN1C(=O)CCC(O)=O)c1ccc(C)cc1 |c:13|
CCCC(=O)Nc1ccc(Cl)c(c1)-c1nc2ncccc2o1
CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCN1CCOCC1
CC(C)CCNC(=O)c1ccc2c(Cl)c3CCCc3nc2c1
Cc1ccc(cc1F)-n1c(=O)n(CC(=O)NCC2CCCO2)c2ccsc2c1=O
CCOC(=O)CC1(CCCCC1)NC(=O)c1cc(COc2cncc(Cl)c2)on1
Cc1ccc(cc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O)C(O)=O
COc1ccccc1N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1Cl
COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CCC(O)=O)C3=O)c3ccccc23)cc1
CS(=O)(=O)N1CCc2ccc(NC(=O)C3CCCO3)cc2C1
COCCn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(Br)cc1
Clc1ccc(cc1Cl)C(=O)NN=Cc1ccccn1
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3nn(ccc3=O)-c3ccccc3)cc2)c1C
Fc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)C(=O)c1ccco1
OC(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc12
OC(=O)Cn1c(O)c(C=Nc2ccccc2)sc1=S |w:9.9|
CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc3OCOc3c1)c2=O
CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N
COc1ccc(CN2C(=S)S\C(=C/c3ccc(o3)-c3ccc(Cl)c(c3)C(O)=O)C2=O)cc1
OC(=O)COc1ccccc1\C=N\NC(=O)c1ccc(cc1)-c1csc(Nc2ccc(Cl)cc2)n1
Oc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1 |w:6.6|
CCOc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(C)cc3)n2)cc1OCC
OC(=O)COc1ccc(NC(=O)c2ccco2)cc1
OC(=O)COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
NC1=NC(=O)C(S1)=Cc1ccc(OCC(O)=O)cc1 |w:7.8,t:1|
OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1cccs1
OC(=O)COc1ccc(C=NNC(=O)c2ccccc2Br)cc1
CC(=NNC(=O)c1ccccc1)c1ccc(OCC(O)=O)cc1 |w:2.2|
OC(=O)COc1ccc(Nc2ccccc2)cc1
COc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(OCC(O)=O)cc1
OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1
OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)cc1
C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1
C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=C/c1ccccc1
OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)c1
OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
CCOC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc(C)cc3)C2=O)cc1
CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
COc1cccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)c1
COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(O)=O)c(O)c3)C2=O)cc1OC
OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1O
OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(F)cc3)cc2)\C#N)c1
COc1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1
COc1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(O)=O)ccc1OCc1ccc(C)cc1
Cc1ccccc1-n1c(N)c(sc1=S)C(=O)N1CCOCC1 |(3.12,-3.15,;4.46,-3.92,;4.46,-5.46,;5.79,-6.23,;7.12,-5.46,;7.12,-3.92,;5.79,-3.15,;5.79,-1.61,;7.04,-.7,;8.5,-1.18,;6.56,.76,;5.02,.76,;4.54,-.7,;3.08,-1.18,;7.47,2.01,;9,1.85,;6.84,3.41,;5.31,3.58,;4.68,4.98,;5.59,6.23,;7.12,6.07,;7.74,4.66,)|
COc1ccc(Cl)cc1-n1c(N)c(sc1=S)C(=O)N1CCOCC1 |(3.08,-3.92,;4.41,-3.15,;5.75,-3.92,;5.75,-5.46,;7.08,-6.23,;8.41,-5.46,;9.75,-6.23,;8.41,-3.92,;7.08,-3.15,;7.08,-1.61,;8.33,-.7,;9.79,-1.18,;7.85,.76,;6.31,.76,;5.84,-.7,;4.37,-1.18,;8.76,2.01,;10.29,1.85,;8.13,3.41,;6.6,3.58,;5.97,4.98,;6.88,6.23,;8.41,6.07,;9.04,4.66,)|
Cc1ccc(C)c(c1)-n1c(N)c(sc1=S)C(=O)N1CCCCC1 |(8.46,-6.23,;7.12,-5.46,;5.79,-6.23,;4.46,-5.46,;4.46,-3.92,;3.12,-3.15,;5.79,-3.15,;7.12,-3.92,;5.79,-1.61,;7.04,-.7,;8.5,-1.18,;6.56,.76,;5.02,.76,;4.54,-.7,;3.08,-1.18,;7.47,2.01,;9,1.85,;6.84,3.41,;5.31,3.58,;4.68,4.98,;5.59,6.23,;7.12,6.07,;7.74,4.66,)|
Nc1c(sc(=S)n1-c1ccc(F)c(Cl)c1)C(=O)N1CCOCC1
Cc1ccc(cc1C)-n1c(N)c(sc1=S)C(=O)Nc1ccccc1F
Cc1ccc(NC(=O)c2sc(=S)n(c2N)-c2cc(C)ccc2F)cc1 |(10.46,7.31,;9.56,6.07,;10.18,4.66,;9.28,3.41,;7.74,3.58,;6.84,2.33,;7.47,.92,;9,.76,;6.56,-.32,;5.02,-.32,;4.54,-1.79,;3.08,-2.26,;5.79,-2.69,;7.04,-1.79,;8.5,-2.26,;5.79,-4.23,;7.12,-5,;7.12,-6.54,;8.46,-7.31,;5.79,-7.31,;4.46,-6.54,;4.46,-5,;3.12,-4.23,;7.12,4.98,;8.02,6.23,)|
COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1
COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)cc(Cl)c1OCc1cccc(c1)C(O)=O
Cc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)N1CCN(CC1)c1ccccc1F
NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1
NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1
NS(=O)(=O)c1ccc(NC(=S)NC2CCCC2)cc1
CCNS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1
NS(=O)(=O)c1ccc(NC(=S)Nc2ccc3CCCc3c2)cc1
NS(=O)(=O)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1
NS(=O)(=O)c1ccc(NC(=S)NC2CCCc3ccccc23)cc1
Cc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Cc1cccc(NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c1
COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1
Cc1ccc(cc1NC(=O)c1cc(ccc1Cl)-n1cnnc1)-c1nc2ccccc2s1
Clc1ccc(cc1)-c1nc(NC(=O)CSc2ccc3ccccc3n2)ns1
CCOc1ccc(cc1)-n1c(SCC(=O)N2CCc3ccccc23)nnc1-c1c[nH]c2ccccc12
Cc1ccc(cc1)-c1nnn2c1nc(NCCc1ccc(cc1)S(N)(=O)=O)c1ccccc21
COc1ccccc1CCNC(=O)c1cc(nc2ccc(Br)cc12)-c1ccncc1
Cc1ccc2nc(cc(C(=O)Nc3ccc(OC(F)F)cc3)c2c1)-c1ccncc1
Brc1ccc2nc(cc(C(=O)Nc3ccncc3)c2c1)-c1ccccn1
O=C(Nc1ccc2oc(nc2c1)-c1cccnc1)c1ccc2OCCOc2c1
Cc1csc(NC(=O)CCCC(O)=O)c1-c1nc2ccccc2s1
Cn1c2ccccc2c(=O)c2ccc(cc12)C#Cc1ccccn1
COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)N(=O)=O
Oc1c(cc(c2cccnc12)S(O)(=O)=O)N=Nc1ccc2cc(ccc2c1)S(O)(=O)=O |w:16.18|
CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)COC1CC(C)CCC1C(C)C)C(N)=O
COc1cc(CC(=O)NCC(NC(=O)C(CCCNC(=O)c2cccc(I)c2)NC(=O)C(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)NC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O
Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
CCCCC(Oc1cc(O)c(cc1C#Cc1ccccc1OC(F)(F)F)C(O)=O)C(=O)NC1CCCCC1
COc1ccc(cc1)-c1nnc(Nc2nc3c(F)cccc3s2)o1
CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(NC(=O)C(c3ccccc3)S(O)(=O)=O)cc2)cc1
OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)cc1)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8|
CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(O)c(c1)C(O)=O |^1:10|
COC(=O)c1cc(ccc1O)-c1ccc(CNC2CC(C)(C)N([O])C(C)(C)C2)o1 |^1:23|
CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O |^1:10|
CC1(C)CC(CC(C)(C)N1[O])NC(=O)CCCC(=O)Nc1ccc(O)c(c1)C(O)=O |^1:10|
CC1(C)CC(CC(C)(C)N1[O])NCc1ccc(o1)-c1ccc(O)c(c1)C(O)=O |^1:10|
CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O |^1:10|
COC(=O)c1cc(NC(=O)CCCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)ccc1O |^1:22|
OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)-c2ccccc2)C1=O
OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3Cl)cc2)-c2ccccc2)C1=O
OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N2CCCCC2)-c2ccccc2)C1=O
Cn1c(c(-c2cn(CCC(=O)Nc3ccc(cc3)-c3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1
OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)cc1
CCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1
CCCCCCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2OP(O)(O)=O |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OP(O)(O)=O |r|
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
COc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O
Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2ccc(Cl)c3ccccc23)nn1)C(O)=O
Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O
COc1ccc2nc(NC(=O)CCCn3cc(nn3)-c3c(oc4cc(O)c(cc34)C(O)=O)-c3cccc(C)c3)sc2c1
COC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4ccc(Cl)c5ccccc45)nn3)c(oc2cc1O)-c1ccccc1
CCCCC\C=C/C\C=C/CCCCCCCC(=O)O
CCCCC\C=C/C\C=C/CCCCCCCCC(O)=O
CCCCC\C=C/CCCCCCCCCCC(O)=O
CCCCC\C=C/C\C=C/CCCCCCC(O)=O
CCCCC\C=C/C\C=C/CCCCCCCCCCC(O)=O
CCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCCC(O)=O
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
CCCCCCCCCC(=O)OCC(O)CO
c1cc(c(cc1\C=C\C(=O)O)O)O
CCCCCCC(O)\C=C/C(O)C#CC#CC(O)C=C
CCCCCCCCCCCC(=O)OCC(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C |r,t:13|
OCc1ccc(O)cn1
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2occc2cc2ccc(=O)oc12
OC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4cccc5ccccc45)nn3)c(oc2cc1O)-c1ccccc1
CC(C)OC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8|
CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(C)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl |c:5,t:8|
CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|
CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1 |c:5,t:8|
OC(=O)c1ccccc1-c1c2ccc(O)c([As]3SCCS3)c2oc2c([As]3SCCS3)c(=O)ccc12 |(4.34,-7.48,;3.56,-6.15,;4.33,-4.81,;2.02,-6.15,;2.03,-7.69,;.69,-8.47,;-.64,-7.7,;-.64,-6.16,;.69,-5.39,;.69,-3.85,;-.65,-3.08,;-1.98,-3.85,;-3.31,-3.08,;-3.31,-1.53,;-4.64,-.76,;-1.98,-.76,;-1.98,.78,;-.75,1.68,;-1.23,3.14,;-2.77,3.14,;-3.24,1.67,;-.64,-1.53,;.7,-.75,;2.04,-1.53,;3.37,-.76,;3.37,.78,;4.61,1.68,;4.13,3.15,;2.59,3.14,;2.12,1.68,;4.71,-1.52,;6.04,-.75,;4.72,-3.07,;3.38,-3.85,;2.04,-3.08,)|
CC(C)n1nnnc1C(N1CCCC2(CCCCC2)C1)c1cc2cc(C)ccc2[nH]c1=O
COc1ccc(cc1)N1CCN(CC1)C(c1nnnn1C1CCCC1)c1cc2cc(C)ccc2[nH]c1=O
Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCCC1)c1nnnn1C1CCCC1
Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(CC1)c1ccccc1)c1nnnn1C1CCCC1
Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(CC1)c1nc2ccccc2s1)c1nnnn1C1CCCC1
CCOc1ccc2nc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)sc2c1
Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1C
COc1ccc(cc1)-n1ncc2c(SCC(=O)N3C(C)Cc4ccccc34)ncnc12
Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc4OCOc4c3)nc2c1
Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C
Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc12
CCOc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1
Cc1ccc2sc(NC(=O)c3sc4ccccc4c3Cl)nc2c1
COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1
OC(=O)c1cc2c(C#Cc3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(C#Cc3cccc(c3)C(F)(F)F)c(oc2cc1O)-c1ccccc1
OC(=O)c1cc2c(C#Cc3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
c1cc(cc(c1)Cl)C#Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5)O)C(=O)O
CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
CC1(C)Cc2c(C1)c1C(=O)OC(O)Cc1c(C=O)c2O
COc1c2CC(C)(C)Cc2c2C(=O)OC(O)Cc2c1C=O
CN(C)c1cc(O)c(cc1C#Cc1cccc(NC(=O)C(O)=O)c1)C(O)=O
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C(F)(F)F
OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1Cl)C(F)(F)F
COc1ccc(cc1)-n1cc(-c2ccc3ccc(=O)oc3c2)c2cc(cnc12)-c1ccc(cc1)C(O)=O
OS(=O)(=O)C(C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1nc2ccccc2s1)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1cnc2ccccc2c1)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1ccc(cc1)N1CCOCC1)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1ccc(cc1)-n1ccnc1)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1ccc2nc([nH]c2c1)C(F)(F)F)c1ccccc1
OS(=O)(=O)C(C(=O)Nc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1
Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br
OC(=O)c1cccc2C3C(Cl)C(CC3C(Nc12)c1ccc(F)cc1)Sc1ccccc1[N+]([O-])=O
OC(=O)c1cc(ccc1O)-c1ccc(\C=C2/Sc3ccccc3C2=O)o1
OC(=O)c1cccc2C3C(Cl)C(CC3C(Nc12)c1cccc(Br)c1)Sc1ccccc1[N+]([O-])=O
[#6]-c1cc(ccc1-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)o1)-[#6](-[#8])=O
Cc1c(Br)cc(NC(=O)CS(O)(=O)=O)cc1Br
Cc1c(Br)cc(NC(=O)NS(O)(=O)=O)cc1Br
OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12 |r|
C=C(c1ccccc1)c1ccc(C(F)(F)P(=O)(O)O)c2c1oc1ccccc12