ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
25661 | COc1cnc(SC)nc1NS(=O)(=O)c1ccc(C)cc1 | [C][O][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(C)cc1.c12cnc5nc14.CO2.S5C.N34 |
25662 | CCOC(=O)c1nc2cc(OC)c(OC)cc2nc1N1CCCCC1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][=C][Ring1][=C][N][C][C][C][C][C][Ring1][=Branch1] | c18nc2cc5c6cc2nc17.N17CCCCC1.C38=O.CC4.O34.O5C.O6C |
25663 | O=C(CCn1c(=O)sc2ccccc21)OC1CCCC1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][C][C][C][C][Ring1][Branch1] | n15c(=O)sc2ccccc21.O=C3CC5.C14CCCC1.O34 |
25667 | CCOC(=O)Nc1nc2cc(OC)c(OC)c(OC)c2s1 | [C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][S][Ring1][#C] | c19nc2cc6c7c8c2s1.C34=O.CC5.O35.N49.O6C.O7C.O8C |
25668 | CCOC(=O)Nc1nc2cc(OC)c(OC)cc2s1 | [C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][S][Ring1][=N] | c18nc2cc6c7cc2s1.C34=O.CC5.O35.N48.O6C.O7C |
25669 | CN(C)c1ccc(C2=Nc3ncnn3C(c3cccs3)C2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c14ccc(C2=Nc3ncnn3C(c3cccs3)C2)cc1.CN4C |
25671 | O=c1c2ccccc2ncn1Cc1cccc(Cl)c1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | O=c1c2ccccc2ncn13.c14cccc(Cl)c1.C34 |
25676 | COc1c(F)c(F)c(CC(O)CO)c(F)c1F | [C][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][Branch2][C][C][Branch1][C][O][C][O][C][Branch1][C][F][=C][Ring1][=C][F] | c12c(F)c(F)c3c(F)c1F.C3C(O)CO.CO2 |
25677 | Cc1cc(NCc2cccnc2)n2c(nc3ccccc32)c1C#N | [C][C][C][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Ring2][Ring1][Branch1][C][#N] | Cc1cc5n2c(nc3ccccc32)c1C#N.c16cccnc1.N45.C46 |
25678 | Cc1cc(NCc2ccncc2)n2c(nc3ccccc32)c1C#N | [C][C][C][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Ring2][Ring1][Branch1][C][#N] | Cc1cc5n2c(nc3ccccc32)c1C#N.c16ccncc1.N45.C46 |
25679 | CC(C)(C)c1ccc(C(=O)NC(O)C(=O)c2ccccc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c17ccc5cc1.c16ccccc1.C4(O)C6=O.CC7(C)C.C35=O.N34 |
25682 | COC(=O)Nc1ccc(SCC(=O)Nc2ccc(C)cc2)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c17ccc9cc1.c18ccc(C)cc1.C6C5=O.C34=O.CO3.N47.S69.N58 |
25683 | COC(=O)Nc1ccc(SCC(=O)c2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc8cc1.c17ccccc1.C5C7=O.C34=O.CO3.N46.S58 |
25685 | COC(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C] | c15ccc6c7c1.C25=O.C36=O.C47=O.CO2.O3C.O4C |
25687 | CCOC(=O)c1c(C)oc2ccc(OC(C)C(=O)OC)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][N][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][P][Ring1][=N] | c18c(C)oc2ccc7cc12.C6(C)C4=O.C38=O.CC5.O35.O67.O4C |
25688 | COC(=O)C(C)Oc1ccc2oc(C)c(C(=O)OC(C)C)c2c1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][N][=C][Ring1][S] | c17ccc2oc(C)c8c2c1.C3(=O)C5C.C48=O.C6(C)C.CO3.O57.O46 |
25689 | COC(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][N][=C][Ring1][S] | c17ccc2oc(C)c8c2c1.C3(=O)C5.C48=O.C6(C)C.CO3.O57.O46 |
25690 | O=C(c1c(-c2ccccc2)oc2ccc(O)cc12)N1CCCCC1 | [O][=C][Branch2][Ring1][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][S][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c14c5oc2ccc(O)cc12.c15ccccc1.N13CCCCC1.O=C34 |
25691 | CN(C)C(=O)c1c(-c2ccccc2)oc2ccc(O)cc12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][S][Ring1][#Branch1] | c14c5oc2ccc(O)cc12.c15ccccc1.CN3C.C34=O |
25692 | CCOC(=O)c1c(C)oc2ccc(OC(=O)CC)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][C][=C][Ring1][#C][Ring1][O] | c17c(C)oc2ccc6cc12.C4(=O)CC.C37=O.CC5.O35.O46 |
25693 | CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccco3)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C][Ring1][=C] | c19c(C)oc2ccc7cc12.c18ccco1.C49=O.C58=O.CC6.O46.O57 |
25694 | CCc1cc2c(=O)c(-c3ccon3)coc2cc1OC | [C][C][C][=C][C][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][=C][O][C][=Ring1][N][C][=C][Ring1][S][O][C] | c15cc2c(=O)c6coc2cc14.c16ccon1.CC5.O4C |
25695 | CCOC(=O)c1c(C)oc2ccc(OCC(=O)OC)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch2][O][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][S][Ring1][N] | c18c(C)oc2ccc7cc12.C6C4=O.C38=O.CC5.O35.O67.O4C |
25696 | CCOC(=O)COc1ccc2oc(C)c(C(=O)OC)c2c1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][#Branch2][=C][Ring1][=C] | c17ccc2oc(C)c8c2c1.C3(=O)C6.C48=O.CC5.O35.O67.O4C |
25697 | COC(=O)COc1ccc2oc(C)c(C(=O)OC)c2c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][#Branch2][=C][Ring1][=C] | c16ccc2oc(C)c7c2c1.C3(=O)C5.C47=O.CO3.O56.O4C |
25698 | CCC(=O)Oc1ccc2oc(C)c(C(=O)OC)c2c1 | [C][C][C][=Branch1][C][=O][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][#Branch2][=C][Ring1][=C] | c15ccc2oc(C)c6c2c1.CCC3=O.C46=O.O35.O4C |
25699 | COC(=O)c1c(C)oc2ccc(OCC(=O)c3ccccc3)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][S] | c17c(C)oc2ccc6cc12.c18ccccc1.C5C8=O.C47=O.CO4.O56 |
25700 | CCOC(=O)C(C)Oc1ccc2oc(C)c(C(=O)OC)c2c1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][#Branch2][=C][Ring1][=C] | c17ccc2oc(C)c8c2c1.C3(=O)C6C.C48=O.CC5.O35.O67.O4C |
25701 | COC(=O)c1c(C)oc2ccc(OC(C)C(=O)OC)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][N][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][P][Ring1][=N] | c17c(C)oc2ccc6cc12.C5(C)C4=O.C37=O.CO3.O56.O4C |
25702 | COC(=O)c1c(C)oc2ccc(OC(=O)C(C)(C)C)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][P][Ring1][=N] | c16c(C)oc2ccc5cc12.C4(=O)C(C)(C)C.C36=O.CO3.O45 |
25703 | CC(=O)Oc1cc(OC(C)=O)c2c(C)c(Cl)c(=O)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][P] | c15cc6c2c(C)c(Cl)c(=O)oc2c1.CC3=O.C4(C)=O.O35.O46 |
25704 | Cc1coc2c1c(C)cc1oc(=O)c3c(c12)CCC3 | [C][C][=C][O][C][=C][Ring1][Branch1][C][Branch1][C][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][=Ring1][#Branch1][Ring1][N][C][C][C][Ring1][=Branch1] | Cc1coc2c1c(C)cc1oc(=O)c3c(c12)CCC3 |
25705 | COc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c1 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][=C][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2c(=O)c7coc2c1.c17cnn6c1.c16ccccc1.CO5 |
25706 | CCOc1ccc(Oc2coc3cc(O)ccc3c2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][Ring1] | c17coc2cc(O)ccc2c1=O.c15ccc6cc1.CC4.O45.O67 |
25707 | CCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1OC(C)=O | [C][C][C][=C][C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][O][C][=Ring1][=N][C][=C][Ring1][P][O][C][Branch1][C][C][=O] | c16cc2c(=O)c7coc2cc15.c17csc(C)n1.C4(C)=O.CC6.O45 |
25708 | COc1ccc2c(=O)c(-c3csc(C)n3)coc2c1 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring1][P] | c14ccc2c(=O)c5coc2c1.c15csc(C)n1.CO4 |
25709 | O=C(Cc1cc2ccccc2o1)c1ccc(O)cc1O | [O][=C][Branch1][#C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c14cc2ccccc2o1.c13ccc(O)cc1O.O=C3C4 |
25710 | COc1cc2occ(-c3csc(C)n3)c(=O)c2cc1C | [C][O][C][=C][C][O][C][=C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=N][C][=C][Ring1][P][C] | c14cc2occ5c(=O)c2cc1C.c15csc(C)n1.CO4 |
25711 | Cc1csc(CC(=O)c2c(C)cc(O)cc2O)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][=N][Ring1][P] | c13c(C)cc(O)cc1O.Cc1csc4n1.C4C3=O |
25712 | CCOC(=O)c1ccc(CC(=O)c2oc3cc(O)ccc3c2C)o1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][O][Ring2][Ring1][Ring1] | c17oc2cc(O)ccc2c1C.c16ccc8o1.C8C7=O.C46=O.CC5.O45 |
25714 | COc1cc(C)c2c(=O)c(-c3csc(C)n3)coc2c1 | [C][O][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring2][Ring1][C] | c14cc(C)c2c(=O)c5coc2c1.c15csc(C)n1.CO4 |
25715 | CC(=O)Oc1cc(C)c2c(=O)c(-c3csc(C)n3)coc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring2][Ring1][C] | c15cc(C)c2c(=O)c6coc2c1.c16csc(C)n1.CC4=O.O45 |
25716 | CCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC | [C][C][C][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][O][C][=Ring1][=N][C][=C][Ring1][P][O][C] | c15cc2c(=O)c6coc2cc14.c16ccccn1.CC5.O4C |
25717 | CC(=O)Oc1ccc2c(=O)c(-c3csc(C)n3)coc2c1C | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring1][P][C] | c15ccc2c(=O)c6coc2c1C.c16csc(C)n1.CC4=O.O45 |
25718 | CCOC(=O)COc1cc2occ(-c3cscn3)c(=O)c2cc1C | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][O][C][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][=C][Ring1][S][C] | c17cc2occ8c(=O)c2cc1C.c18cscn1.C4(=O)C6.CC5.O45.O67 |
25719 | COC(=O)c1ccc(CC(=O)c2c(C)cc(O)cc2O)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][O][Ring1][P] | c15c(C)cc(O)cc1O.c14ccc6o1.C6C5=O.C34=O.CO3 |
25720 | Cc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2] | n15cnc2ccccc2c1=O.Cc1ccc4cc1.C4(=O)C5 |
25722 | CC12COC3(C(=O)NC4CCCCC4)CC1CCC32C | [C][C][C][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C][C][C][C][Ring1][#C][Ring2][Ring1][C][C] | CC12COC37CC1CCC32C.C16CCCCC1.C57=O.N56 |
25723 | CC12COC3(C(=O)Nc4nccs4)CC1CCC32C | [C][C][C][O][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][=C][C][C][C][Ring1][=C][Ring1][P][C] | CC12COC37CC1CCC32C.c16nccs1.C57=O.N56 |
25724 | O=C1CCCCC1(C(=O)c1cc2ccccc2oc1=O)c1ccccn1 | [O][=C][C][C][C][C][C][Ring1][=Branch1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14cc2ccccc2oc1=O.O=C1CCCCC135.c15ccccn1.C34=O |
25725 | O=C(Cn1nnc2ccccc21)Nc1nccs1 | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1] | n15nnc2ccccc21.c14nccs1.O=C3C5.N34 |
25726 | c1coc(-c2nc(-c3ccco3)c(-c3ccco3)nc2-c2ccco2)c1 | [C][=C][O][C][Branch2][Ring2][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][#Branch2] | c14nc5c6nc17.c1coc4c1.c15ccco1.c16ccco1.c17ccco1 |
25727 | Cc1ccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | C126CCC(C)(C(=O)O1)C2(C)C.Cc1ccc5cc1.C46=O.N45 |
25728 | COC(=O)c1ccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | C127CCC(C)(C(=O)O1)C2(C)C.c18ccc6cc1.C48=O.C57=O.CO4.N56 |
25729 | CC(C)(C)c1csc(NC(=O)c2ccoc2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][=N][Ring1][=N] | c16csc4n1.c15ccoc1.CC6(C)C.C35=O.N34 |
25731 | Cn1c(=O)c2c(ncn2CC(=O)C(C)(C)C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)c2c(ncn23)n(C)c1=O.C3C(=O)C(C)(C)C |
25732 | COC(=O)c1ccc(OCC(=O)c2ccc(O)cc2O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][C] | c17ccc(O)cc1O.c16ccc5cc1.C4C7=O.C36=O.CO3.O45 |
25733 | COC(=O)c1ccnc(-c2cc(C(=O)OC)ccn2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][P][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=N][Ring1][#Branch2][=C][Ring1][S] | c15ccnc7c1.c17cc6ccn1.C35=O.C46=O.CO3.O4C |
25734 | N#Cc1ccc(Cn2cnc3ccc(Cl)cc3c2=O)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][Ring1] | n14cnc2ccc(Cl)cc2c1=O.N#Cc1ccc5cc1.C45 |
25735 | N#Cc1ccc(Cn2cnc3cc(Cl)ccc3c2=O)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][Ring1] | n14cnc2cc(Cl)ccc2c1=O.N#Cc1ccc5cc1.C45 |
25736 | N#CC(C#N)C(CC(=O)c1ccccc1)c1cccs1 | [N][#C][C][Branch1][Ring1][C][#N][C][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | N#CC(C#N)C3CC2=O.c12ccccc1.c13cccs1 |
25737 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(O)ccc1O | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O] | C2(=O)C1=C(C)NC(C)=C(C3=O)C14.c14cc(O)ccc1O.CO2.O3C |
25738 | Cc1ccccc1OCC(=O)Nc1nc2ccccc2n1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c16nc2ccccc2n1C.Cc1ccccc15.C4C3=O.O45.N36 |
25739 | Cc1cc(Br)ccc1NC(=O)CSc1nnnn1C | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C] | Cc1cc(Br)ccc14.c15nnnn1C.C2(=O)C3.N24.S35 |
25740 | CCC(COC)NC(=O)Nc1ccc(Cl)cc1 | [C][C][C][Branch1][Ring2][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c16ccc(Cl)cc1.CCC5C4.C23=O.O4C.N25.N36 |
25741 | CC(CO)(CO)NC(=O)Nc1ccc(Cl)cc1 | [C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.CC4(CO)CO.C23=O.N24.N35 |
25744 | CC(CO)(CO)NC(=O)Nc1cccc2ccccc12 | [C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ccccc12.CC5(CO)CO.C34=O.N35.N46 |
25745 | CC(CO)(CO)NC(=O)c1ccc(Cl)cc1Cl | [C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.CC3(CO)CO.C24=O.N23 |
25746 | CCC(CO)NC(=O)c1ccc(Cl)cc1Cl | [C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.CCC3CO.C24=O.N23 |
25748 | COC(=O)C1=C(C)NC(=O)NC1c1c(C)cc(C)cc1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C] | C2(=O)C1=C(C)NC(=O)NC13.c13c(C)cc(C)cc1C.CO2 |
25749 | Cc1cc(CC(=O)Nc2ccc(Cl)cc2)on1 | [C][C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][N][=Ring1][S] | c14ccc(Cl)cc1.Cc1cc5on1.C5C3=O.N34 |
25750 | O=C(Cn1c(=O)sc2ccccc21)c1ccccc1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14c(=O)sc2ccccc21.c13ccccc1.O=C3C4 |
25752 | CCC(C)OC(=O)CSc1nc2ccccc2[nH]1 | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.CCC4C.C3(=O)C5.O34.S56 |
25753 | O=C(COc1ccccc1)n1c(=O)sc2ccccc21 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | O=C(C3)n1c(=O)sc2ccccc21.c14ccccc1.O34 |
25754 | O=c1sc2ccccc2n1COCc1ccccc1 | [O][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1sc2ccccc2n14.c15ccccc1.C4O3.C35 |
25755 | O=C(Cn1c(=O)sc2ccccc21)Oc1cccc2cccnc12 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | n15c(=O)sc2ccccc21.c14cccc2cccnc12.O=C3C5.O34 |
25756 | COC(=O)Cn1c(=O)sc2cc(Br)ccc21 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O] | n14c(=O)sc2cc(Br)ccc21.C3(=O)C4.CO3 |
25758 | C=C(C)Cn1c(SCC(O)CO)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][=Branch2][S][C][C][Branch1][C][O][C][O][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3C(O)CO.C=C(C)C4.S35 |
25759 | C=C(C)Cn1c(SC(C)C(=O)OC)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][N][S][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=N][C][=C][Ring1][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c6nc2c1c(=O)[nH]c(=O)n2C.C4(C)C3=O.C=C(C)C5.S46.O3C |
25760 | CNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 | [C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccc(C)cc1.CN3.C45 |
25761 | Cc1ccc(Cn2c(N(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][=Branch1] | n15c4nc2c1c(=O)[nH]c(=O)n2C.Cc1ccc6cc1.N4(C)C.C56 |
25762 | CCn1c(NCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c4nc2c1c(=O)[nH]c(=O)n2C.c16ccc(C)cc1.CC5.N34.C36 |
25764 | Nc1nc2n(n1)C(c1ccc(F)cc1)CC(c1ccccc1)=N2 | [N][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Nc1nc2n(n1)C(c1ccc(F)cc1)CC(c1ccccc1)=N2 |
25765 | Cc1cc(OC2CCCCC2=O)c2c3c(c(=O)oc2c1)CCC3 | [C][C][=C][C][Branch1][O][O][C][C][C][C][C][C][Ring1][=Branch1][=O][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][C][C][Ring1][#Branch2] | Cc1cc5c2c3c(c(=O)oc2c1)CCC3.C14CCCCC1=O.O45 |
25766 | CCOc1ccc2c(C(CC)C(=O)OC)cc(=O)oc2c1 | [C][C][O][C][=C][C][=C][C][Branch1][N][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2c6cc(=O)oc2c1.C6(CC)C3=O.CC4.O45.O3C |
25767 | CCc1cc(=O)oc2cc(OC3CCCCC3=O)ccc12 | [C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][O][O][C][C][C][C][C][C][Ring1][=Branch1][=O][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=C] | c16cc(=O)oc2cc5ccc12.C14CCCCC1=O.CC6.O45 |
25768 | Cc1ccc(C2CC(c3ccccc3)Nc3ncnn32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(C2CC4Nc3ncnn32)cc1.c14ccccc1 |
25769 | CC(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][S][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring1][#C][C] | c15ccc2c(oc(=O)c3ccccc32)c1C.CC4=O.O45 |
25770 | COC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N] | c15ccc2c(C)c(C)c(=O)oc2c1.C3(=O)C4.CO3.O45 |
25771 | CC(=O)Oc1ccc(C(=O)NCc2ccc(C)cc2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c15ccc7cc1.c18ccc(C)cc1.CC3=O.C47=O.O35.N46.C68 |
25773 | Cc1ccnc(NC(=O)c2cccc3ccccc23)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c16cccc2ccccc12.Cc1ccnc5c1.C46=O.N45 |
25776 | O=C(COc1ccccc1)Oc1nc2ccccc2o1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15nc2ccccc2o1.c16ccccc1.O=C3C4.O46.O35 |
25777 | COc1ccc(CNC(=O)Nc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c15ccc9cc16.c18ccccc1.C34=O.CO5.C79.N37.N48.O6C |
25778 | COC(=O)c1cc(NC(=O)c2ccc(OC)cc2)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1] | c18cc7cc%10c1.c19ccc6cc1.C38=O.C59=O.C4%10=O.CO3.N57.O6C.O4C |
25780 | COC(=O)c1cc(NC(C)=O)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C] | c16cc5cc7c1.C26=O.C4(C)=O.C37=O.CO2.N45.O3C |
25783 | COC(=O)c1ccccc1OCCn1cnc2ccccc2c1=O | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n17cnc2ccccc2c1=O.c16ccccc15.C36=O.C4C7.CO3.O45 |
25784 | Cc1ccc(NCCn2cnc3ccccc3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2] | n16cnc2ccccc2c1=O.Cc1ccc5cc1.C4C6.N45 |
25786 | COc1cc(C(=O)n2cnc3ccccc3c2=O)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | C7(=O)n1cnc2ccccc2c1=O.c14cc7cc5c16.CO4.O5C.O6C |
25787 | O=C(Cn1ccnc1)c1cc(Cl)ccc1Cl | [O][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c12cc(Cl)ccc1Cl.n13ccnc1.O=C2C3 |
25788 | Cc1nn(CC(O)CO)c2[nH]c3ccccc3c(=O)c12 | [C][C][=N][N][Branch1][Branch2][C][C][Branch1][C][O][C][O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=Ring1][O] | Cc1nn4c2[nH]c3ccccc3c(=O)c12.C4C(O)CO |
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