260 SMILES Strings for Cell division control protein 42 homolog
Compound Name
SMILES String
Brc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:8.20|
Brc1cccc2C(C(=O)Nc12)=C1Nc2ccccc2C1=O |w:11.13|
Brc1cccc2NC(=O)\C(=C3/Cc4ccccc4C3=O)c12
Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O
CC(=O)Oc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:11|
CC(=O)Oc1ccccc1C(O)=O
CC(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
CC(C(O)=O)c1cccc(Oc2ccccc2)c1
CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
CC(C)C(N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O)c1nnnn1C1CCCC1
CC(C)C(NCc1c(Cl)cccc1Cl)C(O)=O
CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O |r|
CC1(C)Cc2c(CO1)sc(NC(=S)NC(=O)c1ccccc1)c2C(O)=O
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C\c1ccc(cc1)S(C)=O |c:1|
CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1
CCCN1C(=S)S\C(=C/C=C2\N(CC)c3ccccc3C2(C)C)C1=O
CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
CCOc1ccc(\C=C2/SC(=NC2=O)N2CCc3ccccc3C2)cc1 |c:10|
CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N4CCc5ccccc45)c(O)c3c2)cc1
CCc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)S(N)(=O)=O |t:9|
CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(cc3)C#N)c2)cc1
CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Br)cc1 |c:12|
CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1 |c:12|
CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(F)cc1 |c:12|
CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:12|
CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1C)c1ccccc1 |c:12|
CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:13|
CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
COC(=O)c1ccc(cc1)C(=O)C#Cc1ccccc1
COC(=O)c1cccnc1SCCc1ccccc1
CO\N=C1/C[C@H]2Oc3c4c(CN[C@H](CO)C[C@]24[C@@H](C1)SCc1ccc(OC)cc1)cc(OCC1CC1)c3Br |r|
COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
COc1cc2cc(nc(C)c2cc1OC)-c1ccc(O)c(O)c1
COc1cc2cc(nc(C)c2cc1OC)-c1ccc2ccccc2c1
COc1ccc(CS[C@@H]2C\C(C[C@H]3Oc4c5c(CN[C@H](CO)C[C@]235)cc(OCC2CC2)c4Br)=N\OCc2ccccc2)cc1 |r|
COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]n1
COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)on1
COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N
COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1
COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)o1
COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)s1
COc1ccc(cc1)-c1cccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)c1
COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCC(CC2)c2cc(C)ccc2C)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(Br)cc2)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(C)cc2)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(F)cc2)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(Br)c2)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(C)c2)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(C)c2C)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(F)c2)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(OC)c2)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2Br)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2C(F)(F)F)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2C)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2Cl)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2F)n1
COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2OC)n1
COc1ccc(cc1)-c1noc(CCCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
COc1ccc(cc1)-c1noc(CCCCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
COc1ccc(cc1)C(=O)C#Cc1ccccc1
COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1cccc(F)c1 |t:9|
COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccccc1 |t:9|
COc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccccc1F |t:9|
COc1ccc(cc1)C1=NN(C(C1)c1ccc(OC)c(OC)c1C(O)=O)c1ccccc1 |t:9|
COc1ccc(cc1)C1=NN(C(C1)c1ccccc1C(F)(F)F)c1ccccc1 |t:9|
COc1ccc(cc1)C1=NN(C(C1)c1ccccc1F)c1ccc(Cl)cc1 |t:9|
COc1ccc(cc1)C1CC(=NN1c1cc(Cl)ccc1Cl)c1ccc(F)cc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(Cl)c(Cl)c1)c1ccc(OC)cc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(Cl)c(c1)C(O)=O)c1ccccc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(N)=O)c1ccccc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccccc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)C(C)(C)C |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)C1CCCCC1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(OC)cc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)C(F)(F)F |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N(C)C |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Br)c1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(C)c1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(F)c1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(OC)c1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(c1)C(F)(F)F |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(c1)N(C)C |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Br |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C(F)(F)F |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Cl |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1F |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1OC |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccnc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccncc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccsc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1cccc(F)c1)c1ccc(OC)cc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1cccc(c1)S(N)(=O)=O)c1ccccc1 |c:11|
COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11|
COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12|
COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:12|
COc1ccc(cc1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(OC)cc1
COc1ccc(cc1)S(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccc(Br)cc1)-c1ccccc1
COc1ccc(cc1)S(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(Br)c(OC)c(OC)c1
COc1ccc(cc1)S(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cncc(Br)c1
COc1ccc(cc1Br)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(C)(=O)=O
COc1ccc(cc1Cl)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
COc1ccc(cc1OC)C(=O)NCc1cccc(NC(=O)CCC2CCCNC2)c1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCCNC1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCNCC1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
COc1ccc(cc1OC)C1CC(=NN1c1ccc(Cl)c(c1)C(O)=O)c1ccccc1 |c:13|
COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:13|
COc1ccc(cc1OC)C1CC(=NN1c1cccc(F)c1)c1ccc(F)cc1 |c:13|
COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1 |c:13|
COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(F)cc1 |c:13|
COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
COc1ccc2c(cn(C)c3c4cc(O)c(=[OH+])cc4ccc23)c1OC
COc1ccc2cc(CC(O)=O)ccc2c1
COc1ccc2cc(ccc2c1)[C@@H](C)C([O-])=O
COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O
COc1ccc2cc3-c4cc(O)c(O)cc4CC[n+]3cc2c1OC
COc1ccc2oc(COc3ccc(Cl)cc3)c(C(O)=O)c2c1
COc1cccc(NC(=O)COC(=O)\C=C\c2ccc(Cl)cc2Cl)c1
COc1cccc(c1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
COc1cccc(c1)-n1nnnc1S(C)(=O)=O
COc1cccc(c1)C1=NN(C(C1)c1ccc(Br)cc1)c1ccc(cc1)S(N)(=O)=O |t:9|
COc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11|
COc1ccccc1-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
COc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11|
COc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1 |c:11|
COc1ccccc1N1N=C(CC1c1ccccc1)c1ccccc1 |c:10|
CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)NC(=O)C1CCCCC1
CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9|
C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Cc1c2cc(O)c(O)cc2cc2c3ccc(O)c(O)c3cc[n+]12
Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1-c1ccc(Cl)cc1
Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1
Cc1cc(C)c(C)c(C(=O)c2ccccc2C(O)=O)c1C
Cc1ccc(C)c(OCCn2cc(C(O)=O)c3ccccc23)c1
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(Br)cc1
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(Cl)cc1
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(F)cc1
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(cc1)C(F)(F)F
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(Br)c1
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(Cl)c1
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(c1)C(F)(F)F
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1Br
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C(F)(F)F
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1Cl
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1F
Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8|
Cc1ccc(SC(CC(=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1
Cc1ccc(c(Br)c1)-n1c(n[nH]c1=S)-c1cnccn1 |(5.79,-4.65,;5.79,-3.11,;7.12,-2.34,;7.12,-.8,;5.79,-.03,;4.46,-.8,;3.12,-.03,;4.46,-2.34,;5.79,1.51,;7.04,2.41,;6.56,3.88,;5.02,3.88,;4.54,2.41,;3.08,1.94,;8.5,1.94,;8.82,.43,;10.29,-.04,;11.43,.99,;11.11,2.49,;9.65,2.97,)|
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Cc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Cc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10|
Cc1cccc(c1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
Cc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10|
Cc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10|
Cc1ccccc1[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccccc1 |t:8|
Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Cc1nn(Cc2ccccc2)c(Cl)c1C(O)=O
Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NC1CC1)c1ccccc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CNCc1ccccc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Clc1ccc(cc1)C(=O)C#Cc1ccccc1
Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
Clc1ccc(cc1)[C@@H]1CNC[C@H]1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
Clc1cccc(CSCc2ccc(o2)C(=O)NCc2ccc3OCOc3c2)c1
Clc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
Clc1cccc2C(C(=O)Nc12)=C1Nc2ccccc2C1=O |w:11.13|
Cn1cc2c(ccc(O)c2=[OH+])c2ccc3cc(O)c(O)cc3c12
FC(F)(F)Oc1ccc(cc1)C(=O)C#Cc1ccccc1
FC(F)(F)c1cccc(c1)N1N=C(CC1c1ccccc1Cl)c1ccc(Cl)cc1 |c:12|
FC(F)(F)c1ccccc1C1CC(=NN1c1ccccc1)c1ccc(Br)cc1 |c:13|
FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Br)cc1 |c:14|
FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:14|
Fc1ccc(cc1)C(=O)C#Cc1ccccc1
Fc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1cccc(Br)c1 |t:8|
Fc1cccc2C(C(=O)Nc12)=C1Nc2ccccc2C1=O |w:11.13|
Fc1ccccc1C1CC(=NN1c1ccc(Br)cc1)c1ccc(Br)cc1 |c:10|
NC(=O)c1ccc(NC(=O)NCc2cccc(c2)C(=O)Nc2ccc3CCNCc3c2)cc1
NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Br)cc1)c1ccccc1 |c:12|
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:12|
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1 |c:12|
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(Br)c1)c1ccccc1 |c:12|
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(Cl)c1)c1ccccc1 |c:12|
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(F)c1)c1ccccc1 |c:12|
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |c:12|
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:12|
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1Br)c1ccccc1 |c:12|
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1Cl)c1ccccc1 |c:12|
Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1
Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(O)=O)[C@H](O)[C@@H]1O |r|
O=C(C#Cc1ccccc1)c1ccc(cc1)C#N
O=C(C#Cc1ccccc1)c1ccccc1
O=C(C#Cc1ccccc1)c1cccnc1
O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)Nc1ccccc1
O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1ccc(cc1)C#N
O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1cccc(c1)C#N
O=C(NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)Nc1ccc(cc1)C#N
O=C(Nc1ccccc1)C1=C(c2ccccc2)S(=O)(=O)CCS1(=O)=O |c:10|
O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)c1ccc(Cc2ccccc2)cc1
O=C1NC(=O)\C(N1)=C1\C(=O)Nc2ccccc12
O=C1NC(=S)N\C1=C1/C(=O)Nc2ccccc12
O=C1Nc2ccccc2\C1=C1\Cc2ccccc2C1=O
O=C1Nc2ccccc2\C1=C1\Nc2ccccc2C1=O
O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1cccs1
OC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc12
OC(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:11|
OC(=O)c1ccccc1NCCc1ccc(Cl)cc1
OC(=O)c1ccccc1Sc1ncnc2sc3CCCc3c12
OC(=O)c1ncccc1C(=O)NCc1cccs1
OC(CNCCc1ccc(Cl)cc1)COc1ccc2ccccc2c1
ONc1c([nH]c2ccccc12)C1=c2cc(Br)ccc2=NC1=O |c:13,21|
ONc1c([nH]c2ccccc12)C1=c2cccc(Br)c2=NC1=O |c:13,21|
ONc1c([nH]c2ccccc12)C1=c2cccc(Cl)c2=NC1=O |c:13,21|
ONc1c([nH]c2ccccc12)C1=c2cccc(F)c2=NC1=O |c:13,21|
ONc1c([nH]c2ccccc12)C1=c2ccccc2=NC1=O |c:13,20|
Oc1cc2CCn3cc4c(ccc(O)c4=[OH+])cc3-c2cc1O
Oc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:11|
Oc1ccc2CC3N(CCc4cc(O)c(O)cc34)Cc2c1O
[H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
[O-]S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:12|
[O-][N+](=O)c1ccc(cc1)C#Cc1ccccc1
[O-][N+](=O)c1ccc(cc1)C(=O)C#CC1CCCCC1
[O-][N+](=O)c1ccc(cc1)C(=O)C#Cc1ccc(F)cc1
[O-][N+](=O)c1ccc(cc1)C(=O)C#Cc1ccccc1
[O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1 |t:10|
[O-][N+](=O)c1cccc(c1)C(=O)C#Cc1ccccc1
[O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccc(F)cc1 |c:13|
[O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccccc1 |c:13|
[O-][N+](=O)c1ccccc1C(=O)C#Cc1ccccc1