ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
14726 | Cc1cc(=O)oc(C)c1C(=O)NCCC1=CCCCC1 | [C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1] | Cc1cc(=O)oc(C)c14.C3CC1=CCCCC1.C24=O.N23 |
14727 | Cc1cc(=O)oc(C)c1C(=O)NCc1ccccc1 | [C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc(=O)oc(C)c14.c15ccccc1.C24=O.N23.C35 |
14728 | Cc1cc(=O)oc(C)c1C(=O)NCc1ccc(F)cc1 | [C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1cc(=O)oc(C)c14.c15ccc(F)cc1.C24=O.N23.C35 |
14729 | COc1ccc(CNC(=O)c2c(C)cc(=O)oc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring1] | c16c(C)cc(=O)oc1C.c14ccc7cc1.C36=O.CO4.C57.N35 |
14730 | CCc1nc2ccc(C(=O)NC3CC3)cc2nc1CC | [C][C][C][=N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][=C][Ring1][S][C][C] | c17nc2ccc6cc2nc18.C46=O.C15CC1.CC7.N45.C8C |
14731 | Cc1nc2ccc(C(=O)NCCC(C)C)cc2nc1C | [C][C][=N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][=C][Ring1][=C][N][=C][Ring2][Ring1][C][C] | Cc1nc2ccc5cc2nc1C.C4CC(C)C.C35=O.N34 |
14733 | Cc1nc2ccc(C(=O)NC3CCCCC3)cc2nc1C | [C][C][=N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][=C][Ring2][Ring1][Ring1][C] | Cc1nc2ccc6cc2nc1C.C15CCCCC1.C46=O.N45 |
14734 | Cc1nc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2nc1C | [C][C][=N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][C][N][=C][Ring2][Ring1][=Branch1][C] | Cc1nc2ccc6cc2nc1C.N15CCC2(CC1)OCCO2.C56=O |
14736 | CCOc1ccc(CNC(=O)Nc2ccccc2)cc1 | [C][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] | c16ccc9cc1.c18ccccc1.C34=O.CC5.O56.C79.N37.N48 |
14738 | CCOC(=O)c1oc2ccc(Br)cc2c1NC(C)=O | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][Branch1][C][C][=O] | c17oc2ccc(Br)cc2c16.C37=O.C4(C)=O.CC5.O35.N46 |
14739 | O=C1N(Cc2c(F)cccc2Cl)c2ccccc2C12OCCCO2 | [O][=C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][O][C][C][C][O][Ring1][=Branch1] | O=C1N(C3)c2ccccc2C12OCCCO2.c13c(F)cccc1Cl |
14740 | Cc1ccc(CN2C(=O)C3(OCCCO3)c3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][O][C][C][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | C4N1C(=O)C2(OCCCO2)c2ccccc21.Cc1ccc4cc1 |
14741 | O=C1N(Cc2ccc(F)cc2Cl)c2ccccc2C12OCCCO2 | [O][=C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][O][C][C][C][O][Ring1][=Branch1] | O=C1N(C3)c2ccccc2C12OCCCO2.c13ccc(F)cc1Cl |
14742 | Cc1ccccc1CN1C(=O)C2(OCCCO2)c2ccccc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][O][C][C][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] | C3N1C(=O)C2(OCCCO2)c2ccccc21.Cc1ccccc13 |
14743 | C=C(C)CSc1nnc2n(N)c(=O)c3ccccc3n12 | [C][=C][Branch1][C][C][C][S][C][=N][N][=C][N][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][Ring1][N] | c15nnc2n(N)c(=O)c3ccccc3n12.C=C(C)C4.S45 |
14744 | CCSc1nnc2n(N)c(=O)c3ccccc3n12 | [C][C][S][C][=N][N][=C][N][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][Ring1][N] | c15nnc2n(N)c(=O)c3ccccc3n12.CC4.S45 |
14745 | Nn1c(=O)c2ccccc2n2c(SCCc3ccccc3)nnc12 | [N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][N][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring2][Ring1][#Branch1][Ring1][=C] | Nn1c(=O)c2ccccc2n2c6nnc12.c15ccccc1.C4C5.S46 |
14746 | Cc1cc(C)n2nc(SC(C)C(=O)NC3CCCCC3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][Ring1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc7nc2n1.C16CCCCC1.C5(C)C4=O.S57.N46 |
14747 | Cc1cc(C)n2nc(SC(C)C(=O)NCc3cccs3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][Ring1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc8nc2n1.C6(C)C4=O.c17cccs1.S68.N45.C57 |
14749 | Cc1cc(C)n2nc(SC(C)C(=O)NC3CC3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][S][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][=C][Ring1][=C][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n2nc7nc2n1.C5(C)C4=O.C16CC1.S57.N46 |
14750 | Cc1cc(C)n2nc(SCCC(=O)NCc3cccs3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][P][S][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc8nc2n1.C6CC4=O.c17cccs1.S68.N45.C57 |
14752 | CCC(C)N1C(=O)c2ccccc2C1C(=O)NC1CCCCC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | N15C(=O)c2ccccc2C1C3=O.C14CCCCC1.CCC5C.N34 |
14753 | O=C(NC1CCCC1)C1c2ccccc2C(=O)N1Cc1ccccc1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3C1c2ccccc2C(=O)N15.c16ccccc1.C14CCCC1.N34.C56 |
14762 | Cc1cc(C(=O)Nc2ccc3ccccc3c2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Branch1][C][C][O][Ring2][Ring1][Ring1] | c15ccc2ccccc2c1.Cc1cc6c(C)o1.C46=O.N45 |
14772 | CCC1Oc2ccc(C)cc2N(CC(=O)N2CCCC2)C1=O | [C][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Ring1][=O] | C14Oc2ccc(C)cc2N(CC3=O)C1=O.N13CCCC1.CC4 |
14773 | CCC(C)NC(=O)C1CCN(S(=O)(=O)N(CC)CC)CC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][C][Ring1][=C] | C16CCN(S(=O)(=O)N45)CC1.CCC3C.C26=O.N23.C4C.C5C |
14774 | CC(C)NC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][#C] | c16nc2ccccc2[nH]1.C17CCN6CC1.CC5C.C47=O.N45 |
14775 | O=C(NCc1ccccc1)C1CCN(c2nc3ccccc3[nH]2)CC1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][#C] | c16nc2ccccc2[nH]1.C17CCN6CC1.c18ccccc1.O=C47.N45.C58 |
14776 | CCN(CC)S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C] | N45S(=O)(=O)N1CCC7CC1.C16CCCC1.C37=O.CC4.C5C.N36 |
14777 | CCN(CC)S(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring1][=C] | N45S(=O)(=O)N1CCCC7C1.C16CCCC1.C37=O.CC4.C5C.N36 |
14778 | CCN(CC)S(=O)(=O)N1CCCC(C(=O)NC(C)C)C1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][N] | N34S(=O)(=O)N1CCCC6C1.C26=O.C5(C)C.CC3.C4C.N25 |
14779 | CCN(CC)S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C] | N45S(=O)(=O)N1CCCC7C1.C16CCCCC1.C37=O.CC4.C5C.N36 |
14780 | Cc1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | c17nc2nc(C)cc(C)n2n1.Cc1ccc6c(C)c1.C4(=O)C5.N46.S57 |
14781 | O=C(NC1CC1)C1CCN(c2nc3cc(Cl)ccc3s2)CC1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][C][N][Branch1][P][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][C][Ring1][S] | c15nc2cc(Cl)ccc2s1.C17CCN5CC1.O=C47.C16CC1.N46 |
14783 | CCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][#C] | N45S(=O)(=O)N1CCC7CC1.c18ccco1.C37=O.CC4.C5C.N36.C68 |
14784 | CC(NC(=O)C1CC(=O)Nc2ccccc21)c1ccccc1 | [C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)C1CC(=O)Nc2ccccc21.c15ccccc1.CC45.N34 |
14785 | O=C1CC(C(=O)NCCC2=CCCCC2)c2ccccc2N1 | [O][=C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1] | O=C1CC(C3=O)c2ccccc2N1.C4CC1=CCCCC1.N34 |
14786 | CC1CCC(NC(=O)C2CC(=O)Nc3ccccc32)CC1 | [C][C][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][Ring2] | C4(=O)C1CC(=O)Nc2ccccc21.CC1CCC5CC1.N45 |
14787 | O=C1CC(C(=O)N2CCc3ccccc3C2)c2ccccc2N1 | [O][=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][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch1] | O=C1CC(C4=O)c2ccccc2N1.N14CCc2ccccc2C1 |
14788 | O=C(CC(C(=O)N1CCc2ccccc21)n1ccnc1)N1CCCC1 | [O][=C][Branch2][Ring1][=C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1] | N14CCc2ccccc21.O=C3CC5C4=O.n15ccnc1.N13CCCC1 |
14789 | Cc1ccc2c(c1)N(CCCC(=O)NCC1CCCO1)C(=O)CO2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][P][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][O][Ring2][Ring1][Ring2] | Cc1ccc2c(c1)N(CCCC3=O)C(=O)CO2.C15CCCO1.N34.C45 |
14790 | Cc1ccc2c(c1)N(CCCC(=O)NC1CCC(C)CC1)C(=O)CO2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring2][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][O][Ring2][Ring1][Branch1] | Cc1ccc2c(c1)N(CCCC3=O)C(=O)CO2.C14CCC(C)CC1.N34 |
14791 | Cc1ccc2c(c1)N(CCCC(=O)NC1CCCC1)C(=O)CO2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][S][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][O][Ring2][Ring1][Ring1] | Cc1ccc2c(c1)N(CCCC3=O)C(=O)CO2.C14CCCC1.N34 |
14792 | Cc1ccc2c(c1)N(CCCC(=O)N1CCOCC1)C(=O)CO2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][S][C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][Ring2][Ring1][Ring1] | Cc1ccc2c(c1)N(CCCC3=O)C(=O)CO2.N13CCOCC1 |
14793 | Cc1ccc2c(c1)N(CCCC(=O)NCc1cccnc1)C(=O)CO2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][C][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][Ring2][Ring1][Branch1] | Cc1ccc2c(c1)N(CCCC3=O)C(=O)CO2.c15cccnc1.N34.C45 |
14795 | O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch2][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][#C][N][C][C][C][C][Ring1][Branch1] | C14CCN(S(=O)(=O)N2CCOCC2)CC1.N13CCCC1.O=C34 |
14796 | O=C(NC1CCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][#C] | C15CCN(S(=O)(=O)N2CCOCC2)CC1.C14CCCC1.O=C35.N34 |
14797 | CCOC(=O)c1cccnc1SC(CC)C(=O)N1CCOCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c16cccnc17.C5(CC)C3=O.N13CCOCC1.C26=O.CC4.O24.S57 |
14798 | CC(C)OC(=O)c1cccnc1SCC(=O)N(C)c1ccccc1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cccnc18.c16ccccc1.C5C3=O.CC4C.C27=O.N36C.O24.S58 |
14799 | O=C(NCc1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] | c16nc2ccccc2o1.C17CCN6CC1.c18ccccc1.O=C47.N45.C58 |
14800 | CC(C)CCNC(=O)C1CCN(c2nc3ccccc3o2)CC1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] | c16nc2ccccc2o1.C17CCN6CC1.CC(C)CC5.C47=O.N45 |
14801 | CC(C)N1C(=O)c2ccccc2C1C(=O)NC1CCCCC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | N15C(=O)c2ccccc2C1C3=O.C14CCCCC1.CC5C.N34 |
14802 | C=CCN1C(=O)c2ccccc2C1C(=O)NC1CCCCC1 | [C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | N15C(=O)c2ccccc2C1C3=O.C14CCCCC1.C=CC5.N34 |
14803 | CCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][S] | S5(=O)(=O)c1ccc(C)cc1.C16CCCN5C1.CCC4C.C36=O.N34 |
14804 | Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CC3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.N15CCCC7C1.C47=O.C16CC1.N46 |
14805 | Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 | [N][N][C][=N][C][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 |
14806 | CC(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=C][Ring1][S] | c16nc2cc(C)ccc2o1.c15cccc6c1.CC4=O.N45 |
14807 | CC(C)NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | C15CCN(S(=O)(=O)N2CCCCC2)CC1.CC4C.C35=O.N34 |
14809 | CC(C)CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | C15CCN(S(=O)(=O)N2CCCCC2)CC1.CC(C)CC4.C35=O.N34 |
14810 | Cn1cc(CCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 | [C][N][C][=C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] | Cn1cc6c2ccccc21.c17ccc2c(c1)OCO2.C6CC4=O.N45.C57 |
14813 | CCOc1ccc(CNC(=O)c2cc(=O)[nH]c3ccccc23)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c18cc(=O)[nH]c2ccccc12.c16ccc9cc1.C48=O.CC5.O56.C79.N47 |
14814 | CC(=O)Nc1cc(C(=O)NC2CC2)ccc1Sc1ccc(F)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][N][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15cc7ccc18.c19ccc(F)cc1.CC3=O.C47=O.C16CC1.N35.N46.S89 |
14815 | CCOC(=O)c1cccnc1SCC(=O)N(C)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cccnc18.c16ccccc1.C5C3=O.C27=O.N36C.CC4.O24.S58 |
14816 | Cc1ccc(CNC(=O)C2CCC(=O)N2C(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc7cc1.C15CCC(=O)N16.C35=O.C6(C)C.C47.N34 |
14817 | CC(C)N1C(=O)CCC1C(=O)NC1CCCCC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | N15C(=O)CCC14.C13CCCCC1.CC5C.C24=O.N23 |
14818 | CC(C)N1C(=O)CCC1C(=O)NCc1ccccc1Cl | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | N15C(=O)CCC14.c16ccccc1Cl.CC5C.C24=O.N23.C36 |
14819 | CC(C)N1C(=O)CCC1C(=O)NCc1ccc(F)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N15C(=O)CCC14.c16ccc(F)cc1.CC5C.C24=O.N23.C36 |
14820 | CC(C)N1C(=O)CCC1C(=O)NCc1ccccc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N15C(=O)CCC14.c16ccccc1.CC5C.C24=O.N23.C36 |
14821 | CC(C)N1C(=O)CCC1C(=O)NCc1ccc2c(c1)OCO2 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.N16C(=O)CCC15.CC6C.C35=O.N34.C47 |
14822 | CC(C)N1C(=O)CCC1C(=O)NCCc1ccccc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N15C(=O)CCC14.c16ccccc1.CC5C.C24=O.C3C6.N23 |
14823 | CC(C)N1C(=O)CCC1C(=O)NCCc1ccc(Cl)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | N15C(=O)CCC14.c16ccc(Cl)cc1.CC5C.C24=O.C3C6.N23 |
14824 | COc1cc(NC(=O)c2cccs2)c2ncccc2c1 | [C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c14cc5c2ncccc2c1.c16cccs1.C36=O.CO4.N35 |
14825 | CCOC(=O)N1CCN(C(=O)C2CCC(=O)N2C(C)C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][P] | N14CCN5CC1.C17CCC(=O)N18.C34=O.C57=O.C8(C)C.CC6.O36 |
14826 | COc1ccccc1CNC(=O)C1CCC(=O)N1C(C)C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Branch1][C][C][C] | c13ccccc17.C15CCC(=O)N16.C25=O.C6(C)C.CO3.C47.N24 |
14827 | CCOc1ccccc1CNC(=O)C1CCC(=O)N1C(C)C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Branch1][C][C][C] | c14ccccc18.C16CCC(=O)N17.C26=O.C7(C)C.CC3.O34.C58.N25 |
14828 | CC1(C(=O)NC2CCCC2)CCC(=O)N1CCc1ccccc1 | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC15CCC(=O)N16.c17ccccc1.C14CCCC1.C35=O.C6C7.N34 |
14829 | Cc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | N16C(=O)CCC15C.Cc1ccc7cc1.C14CCCC1.C35=O.C67.N34 |
14830 | CC1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 | [C][C][C][C][C][=C][Branch2][Ring1][=Branch2][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=N][C][Branch1][C][N][=O][C][Ring2][Ring1][Ring2] | CC1CCc2c(sc5c27)C1.c16ccco1.C46=O.C7(N)=O.N45 |
14831 | Cc1ccc(CCN2C(=O)CCC2(C)C(=O)NC2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | N16C(=O)CCC15C.Cc1ccc7cc1.C14CCCC1.C7C6.C35=O.N34 |
14832 | CC(c1ccccc1)N1C(=O)CCC1(C)C(=O)NC1CCCC1 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | N15C(=O)CCC14C.c16ccccc1.C13CCCC1.CC56.C24=O.N23 |
14833 | CC1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1 | [C][C][C][C][C][=C][Branch2][Ring1][#Branch1][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Branch1][C][N][=O][C][Ring2][Ring1][C] | CC1CCc2c(sc5c27)C1.C46=O.C16CC1.C7(N)=O.N45 |
14834 | O=C(CN1C(=O)COc2ccc(Cl)cc21)NCC1CCCO1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][N][C][C][C][C][C][O][Ring1][Branch1] | O=C3CN1C(=O)COc2ccc(Cl)cc21.C15CCCO1.N34.C45 |
14835 | CC(=O)Nc1cc(C(=O)NC(C)C)ccc1Sc1ccc(C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Ring1][N][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c15cc6ccc17.c18ccc(C)cc1.CC2=O.C36=O.C4(C)C.N25.N34.S78 |
14836 | O=C(CN1C(=O)COc2ccc(Cl)cc21)NCCc1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3CN1C(=O)COc2ccc(Cl)cc21.c15ccccc1.C4C5.N34 |
14837 | Cc1ccc(CNC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | C4(=O)CN1C(=O)COc2ccc(Cl)cc21.Cc1ccc6cc1.C56.N45 |
14838 | Cn1cc(CCC(=O)N2CCCC2)c2ccccc21 | [C][N][C][=C][Branch1][=C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | Cn1cc4c2ccccc21.C4CC3=O.N13CCCC1 |
14839 | COC(=O)c1c(O)cn(-c2ccc(C)c(C)c2)c1C | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][O][=C][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][=C][C] | c14c(O)cn5c1C.c15ccc(C)c(C)c1.C34=O.CO3 |
14840 | CC(C)(C)N1C(=O)c2ccccc2C1C(=O)NC1CCCC1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | N15C(=O)c2ccccc2C1C3=O.C14CCCC1.CC5(C)C.N34 |
14841 | CC(C)N1C(=O)c2ccccc2C1C(=O)NC1CCCC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | N15C(=O)c2ccccc2C1C3=O.C14CCCC1.CC5C.N34 |
14842 | CCC(C)NC(=O)C1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][S] | C15CCN(S(=O)(=O)N2CCC(C)CC2)CC1.CCC4C.C35=O.N34 |
14844 | O=C(CN1C(=O)COc2ccc(Cl)cc21)NC1CC1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][N][C][C][C][Ring1][Ring1] | O=C3CN1C(=O)COc2ccc(Cl)cc21.C14CC1.N34 |
14846 | CC(C)(C)c1ccc2c(c1)N(CC(=O)NC1CC1)C(=O)CO2 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][O][Ring1][#C] | c15ccc2c(c1)N(CC3=O)C(=O)CO2.CC5(C)C.C14CC1.N34 |
14847 | Cc1ccc2[nH]c3c(c2c1)CCCC3(C)NC(N)=O | [C][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][C][C][Ring1][Branch2][Branch1][C][C][N][C][Branch1][C][N][=O] | Cc1ccc2[nH]c3c(c2c1)CCCC35C.C4(N)=O.N45 |
14848 | CC1CCN(S(=O)(=O)N2CCCC(C(=O)NC3CC3)C2)CC1 | [C][C][C][C][N][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][N][C][C][Ring2][Ring1][Branch1] | CC1CCN(S(=O)(=O)N2CCCC6C2)CC1.C46=O.C15CC1.N45 |
14849 | CCC(C)NC(=O)C1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][S] | C15CCCN(S(=O)(=O)N2CCC(C)CC2)C1.CCC4C.C35=O.N34 |
14850 | CC1CCN(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)CC1 | [C][C][C][C][N][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][N][C][C][Ring2][Ring1][Branch1] | CC1CCN(S(=O)(=O)N2CCC6CC2)CC1.C46=O.C15CC1.N45 |
14851 | O=C(NCc1cccnc1)C1CCN(c2nc3ccccc3o2)CC1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] | c16nc2ccccc2o1.C17CCN6CC1.c18cccnc1.O=C47.N45.C58 |
14853 | O=C(NCc1cccs1)C1CCN(c2nc3ccccc3o2)CC1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] | c16nc2ccccc2o1.C17CCN6CC1.c18cccs1.O=C47.N45.C58 |
14854 | O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C][N][C][C][C][C][C][Ring1][=Branch1] | c15nc2ccccc2o1.C16CCN5CC1.N14CCCCC1.O=C46 |
14855 | O=C(NCc1ccc(F)cc1)c1cc(=O)[nH]c2ccccc12 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15cc(=O)[nH]c2ccccc12.c16ccc(F)cc1.O=C35.N34.C46 |
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