Class int64 0 1 | SMILES stringlengths 15 166 |
|---|---|
0 | COc1cccc(C(=O)Nc2cccc(C3(C4CCCCC4)N=C(N)N(C)C3=O)c2)c1 |
0 | CN1C(=O)C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2F)N=C1N |
0 | CC(NC(=O)c1cc(COCC([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 |
0 | CN1CC(N)=NC(C)(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)C1=O |
0 | Cc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)cc(C)n1 |
0 | CN1C(=O)[C@](c2ccc(OC(F)(F)F)cc2)(c2ccc(F)c(-c3cncnc3)c2)N=C1N |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3CCNC3=O)c2)CCCCC1 |
0 | CC(C)Oc1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(O)c(Br)c3)C2O)c1 |
0 | CC1=NC(c2cccc(-c3cccnc3)c2)(C2CCCCC2)N=C1N |
0 | CN1C(=O)[C@](c2ccccc2)(c2ccc(OC(F)(F)F)cc2)N=C1N |
0 | CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc4[nH]ncc4c3)C2O)c1 |
0 | CN1C(=O)C2(CC(C)(C)C(F)(F)c3ccc(-c4cncnc4)cc32)N=C1N |
0 | COC(CNc1ccccc1)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 | COC(CNc1ccc(F)cc1)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 | CCc1cn2c3c(ccc(C(=O)NC(COc4cc(F)cc(F)c4)C(O)CC(COCc4ccc(OC)cc4)OC)c13)N(C)S(=O)(=O)CC2 |
0 | CCN(CC)C(=O)n1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccccc21 |
0 | CC(C)Oc1cccc(C[NH+]2CCC3(CC2C)CN(c2ncccn2)S(=O)(=O)N3c2cccc(F)c2)c1 |
0 | COc1c(C)cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(C)C(N)=N2)cc1C |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ncc(C(C)(C)C)o2)CCCCC1 |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-n3ccnc3)c2)CCCCC1 |
0 | CCCCC1CCN(C(C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C2Cc3ccccc3C[NH2+]2)C1=O |
0 | CC1CC2(CC[NH+]1Cc1ccc(O)c(Cl)c1)CN(C)S(=O)(=O)N2c1cccc(F)c1 |
0 | COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccc(C)c3)ccc1O2 |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3CCCCO3)c2)CC1 |
0 | CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@]1(c2cccc(C(C)(C)C(F)F)c2)C[C@H]1C |
0 | CC1CC2(CC[NH+]1Cc1cccc(-c3ccccc3Cl)c1)CNS(=O)(=O)N2c1cccc(F)c1 |
0 | CCN1CC2(CC[NH+](Cc3cccc(OC(C)C)c3)C(C)C2)N(c2cccc(F)c2)S1(=O)=O |
0 | CC(C)Oc1cccc(C[NH+]2CCC3(CC2C)CN(c2ncco2)S(=O)(=O)N3c2cccc(F)c2)c1 |
0 | CCc1csc(C2([NH2+]CC(O)C(Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1 |
0 | CC(C)NC(=O)c1ccc(-c2ccc(-c3ccccc3)n2Cc2cccc(N)n2)cc1 |
0 | CC(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc(O)cc3)C2O)c1 |
0 | CC(NC(=O)c1cc(-c2nc(C(C)([NH3+])Cc3ccccc3)no2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 |
0 | CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2cscc2-c2ccncc2)C(=O)[O-])=N1 |
0 | COC(COCC1CC1)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(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(N3CC4CCC3C4)c2)CC1 |
0 | COCCCC1NC(=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 | CC1(C)Cc2ccc(-c3cccnc3F)cc2C2(COC(N)=N2)C1 |
0 | COc1ccc(C2(c3cccc(-c4cc(Cl)ccc4F)c3)COC(N)=N2)cc1 |
0 | CCn1cc([C@@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1 |
0 | CCCN(CCC)C(=O)c1cc(CC(COC)OC)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cccc(OC)c2)c1 |
0 | COc1cccc(-c2cccc(C3(C)CSCC(N)=N3)c2)c1 |
0 | COc1cccc(-c2cccc(C3(C)CCSC(N)=N3)c2)c1 |
0 | CC1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)COC(N)=N1 |
0 | C=CCOCC(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 | COc1ccc(C2(c3cccc(-c4cccc(Cl)c4)c3)COC(N)=N2)cc1 |
0 | CCCCNC(=O)NCc1ccc(CN2C(=N)NC(CC3CCCCC3)(CC3CCCCC3)C2=O)cc1 |
0 | COc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)C(C(C)C)=N2)cc1 |
0 | COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3ccncc3Cl)ccc1O2 |
0 | CC(C)Oc1cccc(C[NH+]2CCC3(CC2C)CN(c2nccs2)S(=O)(=O)N3c2cccc(F)c2)c1 |
0 | CCCOc1cccc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)C)c3)C2O)c1 |
0 | CC(C)Oc1cccc(C[NH+]2CCC3(CC2C)CN(C(C)C)S(=O)(=O)N3c2cccc(F)c2)c1 |
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@H](CC(C)C)NC(=O)OC(C)(C)C |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(-n3cccn3)c2)CCOC1 |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cc(C(C)(C)C)ncn2)CCCCC1 |
0 | CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2cscc2C2CC2)C(=O)[O-])=N1 |
0 | COc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1 |
0 | CN1C(=O)C(c2ccccc2)(c2cccc(Cl)c2)N=C1N |
0 | NC1=[NH+][C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(Br)c2)C2=NCCCN21 |
0 | CC1=NC(Cc2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N |
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([N+](=O)[O-])cc1 |
0 | CN1C(=O)C(c2ccccc2)(c2ccncc2)N=C1N |
0 | CCCCNC(=O)C(C)CC(O)C(Cc1ccccc1)NC(=O)C1CCCC(C2(NC(C)=O)CCCC2)C1 |
0 | CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2nccc(=O)[nH]2)=N1 |
0 | CC(C)(C)c1cccc(C[NH2+]C2CS(=O)(=O)CC(Cc3ccc4[nH]ccc4c3)C2O)c1 |
0 | COc1ccc(CC2CS(=O)(=O)CC([NH2+]Cc3cccc(C(C)C)c3)C2O)cc1Br |
0 | CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)C(=O)[O-])=N1 |
0 | CCCC(=O)Nc1cccc([C@@]2(C3CCCCC3)N=C(N)N(C)C2=O)c1 |
0 | CC(C)Oc1cccc(-c2ccc3c(c2)C2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1 |
0 | CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccsc2)C(=O)[O-])=N1 |
0 | CN1C(=O)CC(C)(C2CC2c2cccc(/C=C/c3ccccc3)c2)N=C1N |
0 | CCCCNC(=O)NCc1ccc(CN2C(=N)NC(CCC3CCCCC3)(CC(C)C)C2=O)cc1 |
0 | CCCCNC(=O)c1ccc(-c2ccc(-c3ccccc3)n2Cc2cccc(N)n2)cc1 |
0 | COc1cccc(-c2cccc(C3(C4CCOCC4)N=C(C)C(N)=N3)c2)c1 |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2csc(CC(C)(C)C)n2)CC1 |
0 | CCCCS(=O)(=O)n1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(OC)c2)c2ccccc21 |
0 | COc1ccc(C2NC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)NC(C(O)CC(C(=O)NCC(C)C)C(C)C)COCc3cccc2c3)cc1 |
0 | CC(C)Oc1cccc(C[NH+]2CCC3(CC2C)CN(c2cccnc2)S(=O)(=O)N3c2cccc(F)c2)c1 |
0 | COc1cccc(-c2cccc(C3(C)COCC(N)=N3)c2)c1 |
0 | COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cc(Cl)c(C)cc3F)ccc1O2 |
0 | NC1=NC2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)CCOCC2O1 |
0 | COc1cccc(-c2cccc(C3CC3C3(C)CC(=O)N(C)C(N)=N3)c2)c1 |
0 | COc1ccc(C2(c3cccc(Br)c3)N=C(N)N3CC(F)(F)CN=C32)cc1 |
0 | CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N |
0 | Nc1cccc(Cn2c(-c3ccccc3)ccc2-c2ccc(C(=O)NC3CCC3)cc2)n1 |
0 | COc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1 |
0 | COc1cccc(-c2cccc(C3(C)N=C(C)C(N)=N3)c2)c1 |
0 | CC(C)CNC(=O)C(CC(O)C1COCc2cccc(c2)C(c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C |
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)/C=C/c1ccc(C(F)(F)F)cc1 |
0 | COc1ccc(C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C)cc1OC |
0 | CN1C(=O)[C@](c2ccncc2)(c2cccc(-c3cc(F)ccc3F)c2)N=C1N |
0 | COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3ccncc3)ccc1O2 |
0 | CCCCNC(=O)C(C)CC(O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(C)NC(C)=O |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2cccc(C3COCCO3)c2)CC1 |
0 | CS(=O)(=O)c1ccc(-c2ccccc2C2C[NH2+]CC2C(=O)N2CCOCC2c2ccccc2)cc1 |
0 | O=C(C1C[NH2+]CC12CCCc1ccccc12)N1CCC(c2ccccc2)CC1 |
0 | CC1(c2cccc(-c3cncc(F)c3)c2)N=C(N)C2CCCCN21 |
0 | NC1=NC2(CCc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)CS1 |
0 | CN1C(=O)CC(C)(C2CC2c2cccc(CCc3ccccc3)c2)N=C1N |
0 | CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]C1(c2ccc(C(C)C)s2)CCCCC1 |
0 | CC(=O)NC(C)(C)C1CCCC(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cccc(C(C)C)c2)C1 |
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