Compound Name

SMILES String

O=C(C1CCCCC1)N1CC2N(CCc3ccc(OCCCOc4nonc4S(=O)(=O)c4ccccc4)cc23)C(=O)C1

[O-][n+]1onc(OCCCOc2ccc3CCN4C(CN(CC4=O)C(=O)C4CCCCC4)c3c2)c1S(=O)(=O)c1ccccc1

O=C(C1CCCCC1)N1CC2N(CCc3ccc(OCc4nonc4C#N)cc23)C(=O)C1

NC(=O)c1nonc1COc1ccc2CCN3C(CN(CC3=O)C(=O)C3CCCCC3)c2c1

[O-][n+]1onc(COc2ccc3CCN4C(CN(CC4=O)C(=O)C4CCCCC4)c3c2)c1C#N

NC(=O)c1c(COc2ccc3CCN4C(CN(CC4=O)C(=O)C4CCCCC4)c3c2)no[n+]1[O-]

O=C(N1CC2N(CCc3ccccc23)C(=O)C1)c1nonc1C#N

NC(=O)c1nonc1C(=O)N1CC2N(CCc3ccccc23)C(=O)C1

COC(=O)c1nonc1C(=O)N1CC2N(CCc3ccccc23)C(=O)C1

[O-][n+]1onc(C(=O)N2CC3N(CCc4ccccc34)C(=O)C2)c1C#N

NC(=O)c1c(no[n+]1[O-])C(=O)N1CC2N(CCc3ccccc23)C(=O)C1

COC(=O)c1c(no[n+]1[O-])C(=O)N1CC2N(CCc3ccccc23)C(=O)C1

[O-][n+]1onc(c1C#N)-c1ccccc1

[O-][n+]1onc(C(=O)c2cccs2)c1C#N

[O-][n+]1onc(-c2cccs2)c1C#N

[O-][n+]1onc(-c2ccco2)c1C#N

Oc1ccc(cc1)-c1no[n+]([O-])c1C#N

[O-][n+]1onc(c1C#N)-c1ccc(cc1)-c1ccccc1

Cc1ccc(cc1)-c1no[n+]([O-])c1C#N

COc1ccc(cc1)-c1no[n+]([O-])c1C#N

COc1cccc(c1)-c1no[n+]([O-])c1C#N

COc1cc(cc(OC)c1OC)-c1no[n+]([O-])c1C#N

COc1ccccc1-c1no[n+]([O-])c1C#N

[O-][n+]1onc(c1C#N)-c1ccc(F)cc1

Oc1cccc(c1)-c1no[n+]([O-])c1C#N

[O-][n+]1onc(c1C#N)-c1ccc(cc1)C(F)(F)F

[O-][n+]1onc(c1C#N)-c1ccc(Cl)cc1

[O-][n+]1onc(c1C#N)-c1ccc(Br)cc1

[O-][n+]1onc(c1C#N)-c1cccc(Cl)c1

[O-][n+]1onc(c1C#N)-c1cccc(Br)c1

[O-][n+]1onc(c1C#N)-c1ccc(F)c(Br)c1

[O-][n+]1onc(c1C#N)-c1cccc(c1)C(F)(F)F

[O-][N+](=O)c1cccc(c1)-c1no[n+]([O-])c1C#N

[O-]n1[o+]nc(C(=O)c2cccs2)c1C(=O)c1cccs1

NC(=O)c1c(no[n+]1[O-])-c1ccccc1

OC(=O)c1c(no[n+]1[O-])-c1ccccc1

[O-][n+]1onc(c1C=O)-c1ccccc1

OCc1c(no[n+]1[O-])-c1ccccc1

Cc1c(no[n+]1[O-])-c1ccccc1

[O-]n1[o+]nc(-c2cc(cs2)-c2no[n+]([O-])c2C#N)c1C#N

[O-][n+]1onc(-c2ccc(s2)-c2no[n+]([O-])c2C#N)c1C#N

[O-][n+]1onc(c1C#N)-c1cc(F)cc(c1)-c1no[n+]([O-])c1C#N

[O-][n+]1onc(c1C#N)-c1ccc(cc1)-c1no[n+]([O-])c1C#N

[O-][n+]1onc(c1C#N)-c1cccc(c1)-c1no[n+]([O-])c1C#N

CCc1nc2c([nH]1)c1no[n+]([O-])c1c1no[n+]([O-])c21

COc1ccc(cc1)C(=O)c1no[n+]([O-])c1C(=O)c1ccc(OC)cc1

[O-][N+](=O)c1nonc1NC(=O)CSc1ccccn1

CCNc1sc(Br)c(c1[N+]([O-])=O)[N+]([O-])=O

COC(=O)CS(=O)(=O)c1nnc(o1)C(Cc1ccccc1)NC(=O)OC(C)(C)C

CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1

OCc1cn(nn1)-c1cnn(-c2ccccc2)c(=O)c1Cl

[O-][N+](=O)c1ccc2C=CS(=O)(=O)c2c1 |c:7|

COc1ccc(c(n1)S(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O

CCOC(=O)C(C(=O)OCC)C1=C(Br)C2=NOC3C2C(=C1)C(=O)c1ccccc31 |c:11,20,t:14|

COc1ccc(cc1)C(Nc1cc(C)ccn1)c1ccc2ccc(C)nc2c1O

C#CCN(Cc1nc(-c2ccccc2)oc1C)C1C[C@@H]2C[C@H]([C@H]1C)C2(C)C

C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1NCc3cn(c4c3cccc4)[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O