Compound Name

SMILES String

CC1=CC(C)(C)NC(=S)N1c1cccc2cc(ccc12)S(O)(=O)=O |t:1|

Cc1ccc(Nc2ccc(N)cc2S(O)(=O)=O)cc1

OC(=O)c1cc(cc(c1)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O |c:13,21|

Oc1c(ccc2ccccc12)C(=O)Nc1cccc(c1)[N+]([O-])=O

OC(=O)C1=NN(C(=O)C1)c1cc(Cl)c(cc1Cl)S(O)(=O)=O |t:3|

CSC1=NC(=O)\C(=N/Nc2ccc(cc2)[As](O)(O)=O)C(N)=N1 |c:21,t:2|

CCOC(=O)C(=O)Cc1cccnn1

CC#CC#Cc1cccc(=O)o1

[H]C12CC3([H])C4C5NC6=C(C(=O)C(=O)C=C6C15CCN2CC3=CCOC4CC(=O)OC)[N+]([O-])=O |c:14,26,t:8|

COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(C)=NO

COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |(-11.67,5.02,;-11.54,3.68,;-10.41,2.64,;-9.47,1.42,;-9.65,-.11,;-9.68,-1.17,;-8.71,-2.36,;-10.68,-1.93,;-11.03,-.43,;-13.62,-1.04,;-13.27,-2.54,;-14.39,-3.59,;-11.8,-2.98,;-7.94,1.61,;-8.07,.08,;-7.35,3.03,;-6.07,3.72,;-4.54,3.57,;-4.54,2.03,;-3.21,1.26,;-1.87,2.03,;-.54,1.26,;-.54,-.28,;.79,2.03,;1.98,1.05,;3.09,1.05,;3.55,-.42,;4.14,1.87,;4.14,3.41,;5.48,4.18,;6.81,3.41,;7.98,4.41,;6.81,1.87,;7.64,1.05,;8.4,1.75,;9.16,.93,;9.22,-.17,;10.21,1.4,;5.48,1.1,;.79,3.57,;2.05,4.46,;-.54,4.34,;-1.87,3.57,;-3.21,4.34,;-3.1,6.11,;-8.29,4.26,;-9.81,4.06,;-9.92,5.25,;-9.68,3.15,)|

COCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O |t:19|