ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
9690 | CCOc1ccccc1OCC(=O)Nc1c(C)cc(C)cc1C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C] | c17c(C)cc(C)cc1C.c15ccccc16.C4C2=O.CC3.O35.O46.N27 |
9691 | CCOc1ccccc1OCC(=O)Nc1ccc2c(c1)OCO2 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c18ccc2c(c1)OCO2.c16ccccc17.C5C3=O.CC4.O46.O57.N38 |
9692 | CCOc1ccccc1OCC(=O)NC(C)c1ccccc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc16.c18ccccc1.C4C2=O.C78C.CC3.O35.O46.N27 |
9693 | CCOc1ccccc1OCC(=O)Nc1nccs1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c15ccccc16.c17nccs1.C4C2=O.CC3.O35.O46.N27 |
9695 | Cc1onc(-c2ccccc2Cl)c1C(=O)NC(C)(C)CCO | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][O] | Cc1onc6c15.c16ccccc1Cl.C4(C)(C)CCO.C35=O.N34 |
9696 | CCOc1ccccc1OCC(=O)NCC(C)C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C] | c15ccccc16.C4C2=O.C7C(C)C.CC3.O35.O46.N27 |
9697 | CCOc1ccccc1OCC(=O)NC1CCCCC1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | c15ccccc16.C17CCCCC1.C4C2=O.CC3.O35.O46.N27 |
9698 | Cc1ccc(Nc2nc(=O)[nH]nc2C)cc1Cl | [C][C][=C][C][=C][Branch1][=C][N][C][=N][C][=Branch1][C][=O][NH1][N][=C][Ring1][#Branch1][C][C][=C][Ring1][#C][Cl] | Cc1ccc4cc1Cl.c13nc(=O)[nH]nc1C.N34 |
9699 | CCOC(=O)c1ccc(Nc2nc(=O)[nH]nc2C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=N][C][=Branch1][C][=O][NH1][N][=C][Ring1][#Branch1][C][C][=C][Ring1][#C] | c15nc(=O)[nH]nc1C.c17ccc6cc1.C37=O.CC4.O34.N56 |
9700 | CCCc1cc(=O)n(CC)c(NC2CCCCC2)n1 | [C][C][C][C][=C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][S] | c16cc(=O)n5c3n1.C14CCCCC1.CCC6.C5C.N34 |
9701 | CCc1nnc2n1Nc1nc3ccccc3nc1S2 | [C][C][C][=N][N][=C][N][Ring1][Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][Ring1][=C] | c14nnc2n1Nc1nc3ccccc3nc1S2.CC4 |
9702 | CCOC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | c17ccc9cc1.c18ccc(F)cc1.C3(=O)C6.C49=O.CC5.O35.O67.N48 |
9703 | COC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][P] | c16ccc9cc1.c18ccc7cc1.C3(=O)C5C.C49=O.CO3.O56.N48.O7C |
9704 | CCOC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c17ccc9cc1.C18CCCCC1.C3(=O)C6.C49=O.CC5.O35.O67.N48 |
9705 | CS(=O)(=O)N1CCCN2C(=O)c3ccccc3C21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][Ring1][=C] | N14CCCN2C(=O)c3ccccc3C12.CS4(=O)=O |
9707 | COC(=O)C(C)Oc1ccc(C(=O)NCc2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc8cc1.c19ccccc1.C3(=O)C5C.C48=O.CO3.O56.N47.C79 |
9708 | O=C(COC(=O)c1cccs1)NC1CCCCC1 | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] | C15CCCCC1.c16cccs1.O=C3C4.C26=O.O24.N35 |
9709 | O=C(COC(=O)c1ccc(F)cc1)NC1CCCCC1 | [O][=C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] | c16ccc(F)cc1.C15CCCCC1.O=C3C4.C26=O.O24.N35 |
9710 | COc1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c16ccc9cc17.C18CCCCC1.C5C4=O.C39=O.CO6.O35.N48.O7C |
9711 | COc1ccccc1C(=O)OCC(=O)NC1CCCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | c15ccccc17.C16CCCCC1.C4C3=O.C27=O.CO5.O24.N36 |
9712 | O=C(COC(=O)CCc1ccccc1)NC1CCCCC1 | [O][=C][Branch1][P][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] | c16ccccc1.C15CCCCC1.C2(=O)CC6.O=C3C4.O24.N35 |
9713 | O=C1c2ccccc2C2N1CCCN2S(=O)(=O)c1ccccc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=Branch2][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1c2ccccc2C2N3CCCN12.S3(=O)(=O)c1ccccc1 |
9714 | CCOC(=O)c1nc(NCc2cccnc2)c2ccccc2n1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c17nc6c2ccccc2n1.c18cccnc1.C37=O.CC4.O34.N56.C58 |
9715 | CCOC(=O)c1nc(N2CCCC2)c2ccccc2n1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#C] | c16nc5c2ccccc2n1.N15CCCC1.C36=O.CC4.O34 |
9716 | CCOC(=O)c1nc(Nc2cccc(O)c2)c2ccccc2n1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c17nc5c2ccccc2n1.c16cccc(O)c1.C37=O.CC4.O34.N56 |
9717 | CCOC(=O)c1nc(NCC(C)O)c2ccccc2n1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][Branch2][N][C][C][Branch1][C][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#C] | c17nc6c2ccccc2n1.C5C(C)O.C37=O.CC4.O34.N56 |
9718 | CCOC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][S][=O] | n16cnc2scc7c2c1=O.c17ccc(F)cc1.C4(=O)C6.CC5.O45 |
9719 | NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O | [N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][S][=O] | n14cnc2scc5c2c1=O.c15ccc(F)cc1.NC(=O)C4 |
9720 | N#CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O | [N][#C][C][N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][S][=O] | n14cnc2scc5c2c1=O.c15ccc(F)cc1.N#CC4 |
9721 | Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O | [C][N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][S][=O] | Cn1cnc2scc4c2c1=O.c14ccc(Cl)cc1 |
9722 | Cc1sc2ncn(C)c(=O)c2c1-c1ccccc1 | [C][C][S][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1sc2ncn(C)c(=O)c2c13.c13ccccc1 |
9723 | Cc1sc2ncn(CC(=O)OC(C)C)c(=O)c2c1-c1ccccc1 | [C][C][S][C][N][=C][N][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1sc2ncn5c(=O)c2c16.c16ccccc1.C5C3=O.C4(C)C.O34 |
9724 | CCOC(=O)C(C)n1cnc2sc(C)c(-c3ccccc3)c2c1=O | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][Ring1][S][=O] | n16cnc2sc(C)c7c2c1=O.c17ccccc1.C4(=O)C6C.CC5.O45 |
9725 | COC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][Ring1][S][=O] | n15cnc2sc(C)c6c2c1=O.c16ccccc1.C4(=O)C5.CO4 |
9726 | O=C(Oc1ccc2c(c1)OCC2=O)c1ccccc1 | [O][=C][Branch2][Ring1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2c(c1)OCC2=O.c15ccccc1.O=C35.O34 |
9727 | COc1ccc(C(=O)Oc2ccc3c(c2)OCC3=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][Ring1][O][C] | c16ccc2c(c1)OCC2=O.c15ccc8cc17.C48=O.CO5.O46.O7C |
9728 | COc1cc(C(=O)Oc2ccc3c(c2)OCC3=O)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c16ccc2c(c1)OCC2=O.c15cc9cc7c18.C49=O.CO5.O46.O7C.O8C |
9729 | O=C(Oc1ccc2c(c1)OCC2=O)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc2c(c1)OCC2=O.c15ccc(F)cc1.O=C35.O34 |
9730 | O=C(Nc1cccc(-c2cnco2)c1)C1COc2ccccc2O1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][=C][Ring1][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14cccc6c1.c16cnco1.O=C35.N34 |
9731 | O=C1NC(c2ccc(OC(F)(F)F)cc2)Nc2ccccc21 | [O][=C][N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | O=C1NC4Nc2ccccc21.c14ccc3cc1.O3C(F)(F)F |
9732 | COc1ccc(C2NC(=O)c3ccccc3N2)cc1O | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring1][P][O] | C15NC(=O)c2ccccc2N1.c14ccc5cc1O.CO4 |
9733 | CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(F)cc2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N14CCC9CC1.c18ccc(F)cc1.CC6(C)C.C34=O.C58=O.O36.C79.N57 |
9734 | CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cccs2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][#C] | N14CCC9CC1.c18cccs1.CC6(C)C.C34=O.C58=O.O36.C79.N57 |
9735 | CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccccc2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N14CCC9CC1.c18ccccc1.CC6(C)C.C34=O.C58=O.O36.C79.N57 |
9741 | Cc1ccc(-n2nnnc2SCC(=O)C(C)(C)C)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc4c(C)c1.C3C(=O)C(C)(C)C.n14nnnc15.S35 |
9742 | CC1CCN(C(=O)CNC(=O)c2ccccc2)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C] | CC1CCN3CC1.c16ccccc1.C3(=O)C5.C46=O.N45 |
9743 | Cc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5c(C)c1.n15nnnc16.N13CCOCC1.C4C3=O.S46 |
9744 | COc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc7cc1.c18ccccc1.C3(=O)C6.C48=O.CO5.N37.N46 |
9745 | O=C(NCC(=O)N1CCCCCC1)c1ccccc1 | [O][=C][Branch1][S][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCCCCC1.c15ccccc1.C4C3=O.O=C25.N24 |
9746 | CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Ring1][S][C][C][C][Ring1][Branch1] | c19c8sc2c1CCC2.c17ccccc1.C4(=O)C6.C39=O.CC5.O35.N48.O67 |
9748 | Cn1cnc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)c1 | [C][N][C][=N][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | Cn1cnc(S5(=O)=O)c1.c17ccccc1.c16cccs1.N345.C37.C46 |
9749 | Cc1cn(-c2ccccc2)nc1C(=O)Nc1nn(C)c2ccccc12 | [C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Branch1][C][=O][N][C][=N][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c14nn(C)c2ccccc12.Cc1cn6nc15.c16ccccc1.C35=O.N34 |
9750 | Cc1cc(C(=O)Nc2nn(C)c3ccccc23)no1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][O][Ring2][Ring1][C] | c15nn(C)c2ccccc12.Cc1cc6no1.C46=O.N45 |
9751 | Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(Cl)cc1 | [C][C][O][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1oc(S3(=O)=O)cc15.c14ccc(Cl)cc1.N3(C)C.C25=O.N24 |
9752 | Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1 | [C][C][O][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1oc(S4(=O)=O)cc16.c15ccccc1.N14CCCC1.C36=O.N35 |
9753 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCO2 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | O=S3(=O)c1ccc2c(c1)CCO2.c14ccccc1.N34 |
9754 | O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCO2 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | O=S3(=O)c1ccc2c(c1)CCO2.c14ccc(Cl)cc1.N34 |
9756 | O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)CCO2 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | O=S3(=O)c1ccc2c(c1)CCO2.c14ccc(F)cc1.N34 |
9757 | COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1ccc2c(c1)CCO2.c14ccc6cc1.CO4.N56 |
9758 | COC(=O)c1sccc1NS(=O)(=O)c1ccc2c(c1)CCO2 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | S4(=O)(=O)c1ccc2c(c1)CCO2.c16sccc15.C36=O.CO3.N45 |
9759 | Cc1cc[nH]c(=NS(=O)(=O)c2ccc3c(c2)CCO3)c1 | [C][C][C][=C][NH1][C][=Branch2][Ring1][Branch2][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=Ring2][Ring1][Ring1] | Cc1cc[nH]c(=NS(=O)(=O)c2ccc3c(c2)CCO3)c1 |
9761 | Cc1cc(C)n(-c2nc(C)nc3c2cnn3-c2ccccc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch1] | c14nc(C)nc2c1cnn25.Cc1cc(C)n4n1.c15ccccc1 |
9763 | O=S(=O)(c1ccccc1)c1ccc(NCc2ccco2)cc1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=N] | O=S(=O)(c1ccccc1)c1ccc4cc1.c15ccco1.N34.C35 |
9764 | Cc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 | [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | S3(=O)(=O)c1ccc2c(c1)OCCO2.Cc1cc(F)ccc14.N34 |
9766 | CC1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] | c16nc2ccccc2[nH]1.CC1CCN4CC1.C4(=O)C5.S56 |
9767 | O=C(CSc1nc2ccccc2[nH]1)NC1CCCCC1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C][C][C][C][C][Ring1][=Branch1] | c16nc2ccccc2[nH]1.C15CCCCC1.O=C3C4.S46.N35 |
9768 | O=C(CSc1nc2ccccc2[nH]1)NCCc1ccccc1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nc2ccccc2[nH]1.c16ccccc1.O=C3C5.C4C6.S57.N34 |
9769 | O=C1Nc2ccccc2C1=c1sc2n(c1=O)CCN=2 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][S][C][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][C][N][=Ring1][#Branch1] | O=C1Nc2ccccc2C1=c1sc2n(c1=O)CCN=2 |
9770 | Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccco1 | [C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | Cn1c5nnc16.c14ccc(F)cc1.c16ccco1.C3C4=O.S35 |
9771 | Cc1ccc(S(=O)(=O)NCCN2CCNC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][C][=C][Ring2][Ring1][C] | Cc1ccc(S4(=O)=O)cc1.N15CCNC1=O.C3C5.N34 |
9772 | COC(=O)c1ccc(S(=O)(=O)NCCN2CCNC2=O)n1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][N][Ring1][P][C] | c16ccc(S5(=O)=O)n1C.N17CCNC1=O.C36=O.C4C7.CO3.N45 |
9773 | COc1ccc(S(=O)(=O)NCCN2CCNC2=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S6(=O)=O)cc14.N17CCNC1=O.C5C7.CO3.N56.O4C |
9774 | CCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][C][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O][C][=Ring1][S][N] | c17cc(C)c2ccccc2n1.c16cnn7c1N.C46=O.CC5.O45 |
9775 | COc1cccc2c1c(NC(=O)c1cc(C)on1)nn2C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][N][Ring1][=C][C] | c14cccc2c1c5nn2C.c16cc(C)on1.C36=O.CO4.N35 |
9776 | COc1cccc2c1c(NC(=O)c1snnc1C)nn2C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][=N][N][Ring1][=C][C] | c14cccc2c1c5nn2C.c16snnc1C.C36=O.CO4.N35 |
9777 | Cc1c(C(=O)NC2Cc3ccccc3C2)cnn1-c1ccc(F)cc1 | [C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=N][N][Ring1][P][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C15Cc2ccccc2C1.Cc1c6cnn17.c17ccc(F)cc1.C46=O.N45 |
9778 | COc1ccccc1N1C(N)=NC(N)=NC12CCCC2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][C][Ring1][Branch2][C][C][C][C][Ring1][Branch1] | N14C(N)=NC(N)=NC12CCCC2.c13ccccc14.CO3 |
9779 | Cc1ccc(N2C(N)=NC(N)=NC23CCCCC3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][C][Ring1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | N14C(N)=NC(N)=NC12CCCCC2.Cc1ccc4cc1 |
9780 | CC1(C)N=C(N)N=C(N)N1c1ccc(Br)cc1 | [C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | CC1(C)N=C(N)N=C(N)N12.c12ccc(Br)cc1 |
9783 | NC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCC2 | [N][C][=Branch1][C][=O][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Ring1][S][C][C][C][Ring1][Branch1] | c17c6sc2c1CCC2.c15ccccc1.C3(=O)C4.NC7=O.N36.O45 |
9784 | O=S(=O)(Nc1nnc(C2CC2)s1)c1cccc2nonc12 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | O=S3(=O)c1cccc2nonc12.c14nnc5s1.C15CC1.N34 |
9785 | O=C(Cc1ccccc1F)Nc1nnc(C2CC2)s1 | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2] | c15ccccc1F.c14nnc6s1.O=C3C5.C16CC1.N34 |
9786 | O=C1NCCN1CCNS(=O)(=O)c1cccc2cccnc12 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | S4(=O)(=O)c1cccc2cccnc12.O=C1NCCN15.C5C3.N34 |
9787 | O=C1NCCN1CCNS(=O)(=O)c1ccc(F)c(Cl)c1 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | S3(=O)(=O)c1ccc(F)c(Cl)c1.O=C1NCCN14.C4C2.N23 |
9788 | O=C1NCCN1CCNS(=O)(=O)c1cccs1 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S3(=O)(=O)c1cccs1.O=C1NCCN14.C4C2.N23 |
9789 | O=C1NCCN1CCNS(=O)(=O)c1cccc2nonc12 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | S4(=O)(=O)c1cccc2nonc12.O=C1NCCN15.C5C3.N34 |
9790 | O=C(NCCN1CCNC1=O)Nc1ccc(F)cc1F | [O][=C][Branch1][N][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.N16CCNC1=O.O=C23.C4C6.N24.N35 |
9791 | COc1ccccc1NC(=O)NCCN1CCNC1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][C][C][N][C][Ring1][Branch1][=O] | c14ccccc16.N17CCNC1=O.C23=O.C5C7.CO4.N26.N35 |
9792 | O=C(NCCN1CCNC1=O)Nc1cccc2ccccc12 | [O][=C][Branch1][N][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ccccc12.N17CCNC1=O.O=C34.C5C7.N35.N46 |
9793 | O=C(NCCN1CCNC1=O)Nc1ccc(OC(F)(F)F)cc1 | [O][=C][Branch1][N][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | c16ccc4cc1.N17CCNC1=O.O4C(F)(F)F.O=C23.C5C7.N25.N36 |
9794 | CC(C)(C)c1ccccc1NC(=O)NCCN1CCNC1=O | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][C][C][N][C][Ring1][Branch1][=O] | c17ccccc15.N16CCNC1=O.CC7(C)C.C23=O.C4C6.N25.N34 |
9795 | O=C(COc1ccc(Br)cc1)NC1CCCC1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][Branch1] | c14ccc(Br)cc1.C15CCCC1.O=C2C3.O34.N25 |
9796 | CCOC(=O)Cc1csc(NC(=O)C(C)(C)C)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][N] | c16csc5n1.C3(=O)C(C)(C)C.C2(=O)C6.CC4.O24.N35 |
9798 | COc1ccccc1-n1c(-c2ccc(F)cc2)coc1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][O][C][Ring1][N][=O] | c13ccccc14.n14c5coc1=O.c15ccc(F)cc1.CO3 |
9799 | Cc1cccc(Nn2c(N)c(C#N)c3nc4ccccc4nc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][N][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][S][=C][Ring2][Ring1][#Branch1] | Cc1cccc(Nn2c(N)c(C#N)c3nc4ccccc4nc32)c1 |
9800 | Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccco1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1onc7c15.c17ccccc1Cl.c16ccco1.C35=O.N34.C46 |
9801 | CSc1ncccc1C(=O)Nc1ccc2c(c1)C(=O)OC2 | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1] | c14ccc2c(c1)C(=O)OC2.c16ncccc15.C35=O.CS6.N34 |
9804 | O=C1OCc2ccc(NC(=O)c3c(F)cccc3Cl)cc21 | [O][=C][O][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P][Ring2][Ring1][Ring2] | O=C1OCc2ccc5cc21.c16c(F)cccc1Cl.C46=O.N45 |
9805 | O=C(CCc1ccccc1)Nc1ccc2c(c1)C(=O)OC2 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1] | c14ccc2c(c1)C(=O)OC2.c15ccccc1.O=C3CC5.N34 |
9806 | CCOc1ccc(NC(=O)c2ccc(F)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc6cc1.c17ccc(F)cc1.C37=O.CC4.O45.N36 |
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