Class int64 0 1 | SMILES stringlengths 15 166 |
|---|---|
0 | O=S1(=O)CC(Cc2ccc(O)c(Br)c2)C(O)C([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 |
0 | COc1cccc(-c2cccc(CCc3cc(=O)n(C)c(N)n3)c2)c1 |
0 | CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(Cl)cc1Cl |
0 | CC(C)c1ccnc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(O)c(Br)c3)C2O)c1 |
0 | C#Cc1csc(C2([NH2+]CC(O)C(Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1 |
0 | CS(=O)(=O)N(c1ccccc1)c1ccnc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CC[NH2+]CC1 |
0 | COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3ccccc3Cl)ccc1O2 |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ncc(C(C)(C)C)o2)CC1 |
0 | Cc1cc2cc(c1)C(=O)N[C@H](c1ccccc1)C/C=C/COCC(C(O)C[NH2+]Cc1cccc(C(C)C)c1)NC2=O |
0 | CCCCNC(=O)NCc1ccc(CN2C(=N)NC(C)(CC3CCCCC3)C2=O)cc1 |
0 | COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3ccc(OC(F)(F)F)cc3)ccc1O2 |
0 | Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)N(C)C3CCCCC3)cc2c1 |
0 | NC1=[NH+][C@](c2ccccc2)(c2cccc(Cc3ccccc3)c2)C2=NCCCN21 |
0 | CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1 |
0 | COc1ccc(C(Cc2cc([N+](=O)[O-])ccc2OC)c2c[nH]c(N)n2)cc1 |
0 | CC(NC(=O)c1cc(CNC(=O)C(C)([NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 |
0 | CC1(C)Cc2ccc(-c3cncc(F)c3)cc2C2(COC(N)=N2)C1 |
0 | CC1CC2(CC[NH+]1Cc1ccc3[nH]ccc3c1)CN(C)S(=O)(=O)N2c1cccc(F)c1 |
0 | CN1C(=O)CC(C)(C2CC2c2cccc(-c3cccs3)c2)N=C1N |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C#N)c2)CCCCC1 |
0 | Cc1cccc(Cc2cc(CC3CS(=O)(=O)CC([NH2+]Cc4cccc(C(C)C)c4)C3O)ccc2O)c1 |
0 | CN1C(=O)C2(CC(C)(C)Oc3ccc(-c4ccncc4)cc32)N=C1N |
0 | CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)NC1CCCCC1 |
0 | CC(=O)Nc1ccc(C[NH+]2CCC3(CC2C)CN(C)S(=O)(=O)N3c2cccc(F)c2)cc1 |
0 | COC(COc1ccccc1)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1 |
0 | CCCCN(C)C(=O)n1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2ccccc2OC)c2cccnc21 |
0 | Cn1c(N)nc(CCc2cccc(-c3ccccc3)c2)cc1=O |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ccc(Br)c(C(C)(C)C)c2)CCCCC1 |
0 | CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |
0 | COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3ccccc3C)ccc1O2 |
0 | Cc1cnc(C(=O)Nc2cccc(C3(C)N=C(N)CN(C)C3=O)c2)cn1 |
0 | COc1ccc(Cc2cccc([C@@]3(c4ccccc4)[NH+]=C(N)N4CCCN=C43)c2)cc1 |
0 | COc1ccc(-c2ccc3c(c2)C2(CC(C)(C)O3)N=C(N)N(C)C2=O)cc1 |
0 | CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2nc3ccccc3c(=O)[nH]2)=N1 |
0 | COc1ccc(C2(c3cccc(-c4cccnc4)c3)COC(N)=N2)cc1 |
0 | CN1C(=O)CC(C)(C2CC2c2cccc(-c3ccsc3)c2)N=C1N |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-n3nccn3)c2)CCCCC1 |
0 | COCCC(=O)Nc1cccc(C2(C3CCCCC3)N=C(N)N(C)C2=O)c1 |
0 | CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)NC1CCCCC1 |
0 | COc1cccc(-c2cccc(C3(C)N=C(N)CS3)c2)c1 |
0 | COc1ccc(C2(c3cccc(-c4cncnc4)c3)CCC(N)=N2)cc1 |
0 | NC1=[NH+]C(c2ccccc2)(c2cccc(Cc3ccc(F)cc3)c2)C2=NCCCN21 |
0 | COc1ccc(C2(c3cccc(-c4cnccc4F)c3)COC(N)=N2)cc1 |
0 | CCCOc1cccc(-c2cccc(C3CC3C3(C)CC(=O)N(C)C(N)=N3)c2)c1 |
0 | CN1C(=O)C2(CC(C)(C)Oc3ccc(N4CCCCC4)cc32)N=C1N |
0 | [NH2+]=C(NCc1cc(Cl)cc(Cl)c1)NC(=O)Cn1ccc2ccccc21 |
0 | CC1(c2cccc(NC(=O)c3ccccn3)c2)CSC(N)=N1 |
0 | CC1=C(C(=O)NOCc2ccccc2)[C@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C(C)N1CC(=O)OC(C)C |
0 | CCSc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1 |
0 | CC[C@H]1C(C(=O)NOCc2ccccc2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 |
0 | CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccsc2Br)C(=O)[O-])=N1 |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC[NH2+]C1 |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCC(CCO)CC1 |
0 | COCc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]C(c1cccc(C(C)(C)C)c1)C(F)(F)F)Cc1cccc(c1)OCCCCN2 |
0 | COC(CO)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1 |
0 | COCC(CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)OC |
0 | COc1cccc(COCC(CC(O)C(COc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)NC(C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)OC)c1 |
0 | COC(C[NH2+]Cc1ccccc1)CC(O)C(COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1 |
0 | CC(CC(O)C(COCc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)NC(C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NC1CC1 |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3CCCCC3)c2)CCCCC1 |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ccccc2)CCCCC1 |
0 | COCCOC1NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)NC(C(O)CC(C(=O)NCC(C)C)C(C)C)COCc2cccc1c2 |
0 | COCCOC1CCCc2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)NC(C(O)CC(C(=O)NCC(C)C)C(C)C)COCc2cccc1c2 |
0 | Nc1c(F)cc(CC2CS(=O)(=O)CC([NH3+])C2O)cc1OC(C(F)(F)F)C(F)(F)F |
0 | CC(C)(C)OC1CC1C[NH2+]C1CS(=O)(=O)CC(Cc2cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c2)C1O |
0 | Cc1cc2cc(c1)C(=O)NC(C(O)C[NH2+]Cc1ccccc1)COC/C=C/CCNC2=O |
0 | COc1cccc(-c2cccc(C3(C)N=C(N)CCO3)c2)c1 |
0 | COCC(Oc1cc(CC2C[S+]([O-])CC([NH2+]CCCOC(C)(C)C)C2O)cc(F)c1N)C(F)(F)F |
0 | CC(NC(=O)c1cc(C[NH2+]CC([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 |
0 | CC(NC(=O)c1cc(COCC([NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 |
0 | NC1=NC2(CCc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)CO1 |
0 | CC(NC(=O)c1cc(C(=O)NCC([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 |
0 | CC1=C(C(=O)NOCc2ccccc2)[C@H](C(C)C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C(C)N1S(C)(=O)=O |
0 | CC1CC2(CC[NH+]1Cc1cccc(OC3CCCC3)c1)CNS(=O)(=O)N2c1cccc(F)c1 |
0 | CC(C)COc1cccc(C[NH+]2CCC3(CNS(=O)(=O)N3c3cccc(F)c3)CC2C)c1 |
0 | COc1ccc(C2(c3cccc(-c4cncnc4)c3)COC(N)=N2)cc1 |
0 | CC([NH2+]CC(O)C(Cc1ccccc1)NC(=O)c1cccc(OS(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1 |
0 | CC1=NC(C)(c2cccc(-c3cccnc3)c2)N=C1N |
0 | NC1=NC2(c3cccc(-c4cc(F)cc(Cl)c4)c3)CCOCC2O1 |
0 | CCCOc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1 |
0 | Cn1c(N)nc(C2CC2c2ccc(-c3cccs3)cc2)cc1=O |
0 | COc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1 |
0 | CSc1cccc(-c2ccc(C3CC3c3cc(=O)n(C)c(N)n3)cc2)c1 |
0 | COC(=O)CN1C(C)=C(C(=O)NOCc2ccccc2)[C@@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C1C |
0 | CCOC(=O)CN1C(C)=C(C(=O)NOCc2ccccc2)[C@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C1C |
0 | CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 |
0 | CC1=C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)[C@H](C)C(C(=O)N[C@H](C)c2ccccc2)=C(C)N1S(C)(=O)=O |
0 | CC1=C(C(=O)OCc2ccccc2)[C@@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=CN1CC(=O)OC(C)C |
0 | CC[C@H]1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)N[C@H](C)c1ccccc1 |
0 | CC(NC(=O)c1cc(N(C)S(C)(=O)=O)cc(-n2cc(C(C)([NH3+])Cc3ccccc3)nn2)c1)c1ccc(F)cc1 |
0 | CC(=O)Nc1cccc(-c2cccc(C3CC3C3(C)CC(=O)N(C)C(N)=N3)c2)c1 |
0 | CC(C)C1=NC(c2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N |
0 | CN1C(=O)CC(C)(C2CC2c2ccccc2)N=C1N |
0 | CC(NC(=O)c1cc(CNC(=O)C([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 |
0 | O=C(C1C[NH2+]CC1c1ccccc1)N1CCC(c2ccccc2)CC1 |
0 | CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 |
0 | Cn1c(N)nc(CCc2cccc(Br)c2)cc1=O |
0 | COc1cccc(-c2cccc(C3(C)N=C(N)CN3C(C)=O)c2)c1 |
0 | COc1cccc([C@@]2(c3ccccc3)[NH+]=C(N)N3CCCN=C32)c1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.