Compound Name

SMILES String

CC#CC#Cc1cccc(=O)o1

CC(=O)Nc1ccc(cc1)S(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:20|

CC1=CC(=O)C(=O)c2c(cn(c12)S(=O)(=O)c1ccccc1)-c1ccccc1 |t:1|

CCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

CCN(CC)C(=O)CC(c1ccc(OC)cc1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

CN(C)c1ccc(cc1)-c1cn(c2C=CC(=O)C(=O)c12)S(=O)(=O)c1ccccc1 |c:14|

CO[C@H]1[C@@H](OC(=O)c2ccc[nH]2)[C@@H](O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC(C)=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |r,wU:12.13,3.3,2.1,(74.51,-50.52,;73.18,-51.28,;71.84,-50.52,;70.5,-51.28,;70.5,-52.82,;71.83,-53.6,;73.17,-52.83,;71.83,-55.14,;70.58,-56.04,;71.05,-57.51,;72.59,-57.51,;73.07,-56.05,;69.18,-50.51,;67.84,-51.27,;69.19,-48.98,;67.85,-48.2,;66.52,-48.98,;66.52,-50.52,;65.18,-51.28,;63.85,-50.52,;62.54,-51.28,;62.54,-52.83,;61.21,-50.52,;59.88,-51.29,;59.88,-52.84,;61.22,-53.6,;58.55,-53.61,;58.55,-55.16,;57.22,-55.94,;55.88,-55.16,;54.54,-55.93,;55.88,-53.62,;54.55,-52.85,;54.55,-51.31,;55.88,-50.53,;53.21,-50.54,;53.21,-48.99,;51.88,-51.31,;57.21,-52.85,;61.19,-48.98,;59.85,-48.21,;62.53,-48.21,;63.86,-48.98,;65.19,-48.21,;65.19,-46.67,;70.51,-48.19,;71.84,-48.97,;72.6,-47.63,;73.38,-48.96,)|

COc1cc(OC)c2c(cc(=O)oc2c1C(CC(=O)N1CCCC1)c1ccc2OCOc2c1)-c1ccccc1

COc1cc(cc(OC)c1OC)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

COc1ccc(SC2=CC(=O)C(=O)c3c(cn(c23)S(=O)(=O)c2ccccc2)-c2ccccc2)cc1 |t:7|

COc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)Nc2ccc(Cl)cc2)c1C#N

COc1ccc(cc1)-c1cn(c2C=CC(=O)C(=O)c12)S(=O)(=O)c1ccccc1 |c:13|

COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

COc1ccc(cc1)C(CC(=O)N1CCOCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

COc1ccc(cc1)C1=CC(=O)C(=O)c2c(cn(c12)S(=O)(=O)c1ccccc1)-c1ccccc1 |t:9|

COc1cccc(c1)-c1cn(c2C=CC(=O)C(=O)c12)S(=O)(=O)c1ccccc1 |c:13|

COc1cccc(c1)C1=CC(=O)C(=O)c2c(cn(c12)S(=O)(=O)c1ccccc1)-c1ccccc1 |t:9|

COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CCC(O)C(C)O5)c4c(O)c3C(=O)c12)C(\C)=N\O

CS(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:10|

C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 |r,c:4|

Cc1cc(O)c2c(O)cccc2c1-c1cc(O)cc(=O)o1

Cc1cc(O)cc2cc3C(O)CCC(=O)c3c(O)c12

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

Cc1occ2Cc3c(O)ccc(O)c3C(=O)c12

Fc1ccc(cc1)S(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:17|

Fc1cccc(c1)S(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:17|

Nc1nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c(-c2ccc(COc3ccccc3)cc2)c1C#N

O=C1C=C(c2c(c(cn2S(=O)(=O)c2ccccc2)-c2ccccc2)C1=O)c1ccccc1 |c:2|

O=C1C=Cc2c(c(cn2S(=O)(=O)c2ccccc2)-c2ccccc2)C1=O |c:2|

O=C1c2c(cn(c2C2=C(C3CCC2C=C3)C1=O)S(=O)(=O)c1ccccc1)-c1ccccc1 |c:15,t:8|

Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

[O-][N+](=O)c1ccc(cc1)C1=CC(=O)C(=O)c2c(cn(c12)S(=O)(=O)c1ccccc1)-c1ccccc1 |t:10|

[O-][N+](=O)c1cccc(c1)S(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:19|