Compound Name

SMILES String

CC(C)(Sc1ccnc2ccc(cc12)C(F)(F)F)C(=O)NS(C)(=O)=O

CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O

c1ccc(cc1)C(=O)NCCC(=O)O

[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |r,c:6,9|

CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|

OS(=O)(=O)Oc1c[nH]c2ccccc12

CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20|

CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |t:12|

C[C@H]1OC=C2C(=O)C(C(O)=O)C(=O)C(C)=C2[C@@H]1C |r,c:14,t:3|

CCCCCCCC([O-])=O

Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)Cn4cnnn4)SC2)C(=O)O

CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:16|

CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5|

Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O

[O-]C(=O)C1=C(C[n+]2ccccc2)CS[C@@H]2[C@@H](NC(=O)Cc3cccs3)C(=O)N12 |r,c:3|

CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:23|

CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O |c:26|

OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 |(-2.97,1.02,;-1.83,-.01,;-2.15,-1.52,;-.36,.46,;-.04,1.97,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;5.38,1.97,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;3.44,-5.95,;1.9,-5.95,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)|