Compound Name

SMILES String

[O-]C(=O)CCCC#N

[O-]C(=O)c1ccc(cc1)C#N

CCCCCC[N+](C)(C)C

C[N+](C)(C)CCc1ccccc1

c1ccc(cc1)C(=O)O

Cc1ccc(cc1)C(=O)O

CCc1ccc(cc1)C(=O)O

c1cc(ccc1C(=O)O)Cl

c1cc(cc(c1)Cl)C(=O)O

C1CCC(CC1)C(=O)O

C[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:4.7,wD:1.0,(-11.11,-3.91,;-11.11,-2.37,;-9.78,-1.6,;-9.78,-.06,;-11.11,.72,;-12.44,-.06,;-12.44,-1.6,;-11.11,2.26,;-9.78,3.03,;-12.44,3.03,)|

C1CCC(C1)C(=O)O

OC(=O)C1CCCCCC1

[O-]C(=O)C12CC3CC(C1)[C@H](Br)C(C3)C2 |r,TLB:6:5:13:7.9.8,6:7:13:5.12.4,THB:4:5:9:13.3.8,4:3:5.12.6:9,10:9:13:5.12.4,10:9:5.12.6:13.3.8|

[O-]C(=O)c1cccc(c1)[N+]([O-])=O