ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
30747 | COc1ccc2oc(=O)c(C(=O)N3CCCCC3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2oc(=O)c6cc2c1.N14CCCCC1.C46=O.CO5 |
30748 | CN(C)C(=O)Oc1cc2ccccc2cc1OC(=O)N(C)C | [C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][=Branch1][C][=O][N][Branch1][C][C][C] | c17cc2ccccc2cc18.CN5C.C35=O.C46=O.N6(C)C.O37.O48 |
30749 | COc1ccc(OCCS(=O)(=O)c2nc3ccccc3[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | C4CS(=O)(=O)c1nc2ccccc2[nH]1.c15ccc6cc1.CO5.O46 |
30751 | O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][S] | S4(=O)(=O)c1ccccc1F.N13CCN4CC1.c15ccco1.O=C35 |
30752 | CC(C)C(=O)Nc1cccc(C(=O)N2CCc3ccccc3C2)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][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][Ring2][Ring1][C] | N15CCc2ccccc2C1.c16cccc7c1.CC(C)C4=O.C57=O.N46 |
30754 | CCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c14ccc(S(N)(=O)=O)cc1.CCC(CC)C2=O.C3C4.N23 |
30755 | CC(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c17cccc8c1.c16ccc(Cl)cc1.C4(=O)C5(C)C.CC3=O.N37.N48.O56 |
30756 | O=C(Nc1cccc(C(=O)NC2CCCC2)c1)c1ccccc1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cccc8c1.c17ccccc1.C16CCCC1.O=C37.C48=O.N35.N46 |
30758 | NS(=O)(=O)c1ccc(CCNC(=O)CCC2CCCCC2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | NS(=O)(=O)c1ccc6cc1.C15CCCCC1.C3(=O)CC5.C6C4.N34 |
30759 | COc1ccccc1CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C] | c16nc2c(c(=O)n(C)c(=O)n2C)n1C.c13ccccc15.CO3.C45.S46 |
30761 | CCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2O)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring1][P] | c16cc(C)ccc1O.c15ccc7cc1.CCC3=O.C47=O.N35.N46 |
30762 | CCOc1ccc(Oc2cc(C)nc(SC)n2)nn1 | [C][C][O][C][=C][C][=C][Branch1][P][O][C][=C][C][Branch1][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][=Branch2][N][=N][Ring1][S] | c16cc(C)nc7n1.c14ccc5nn1.CC3.O34.O56.S7C |
30764 | O=S(=O)(Nc1ccccc1F)c1cccc(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | O=S2(=O)c1cccc(Cl)c1.c13ccccc1F.N23 |
30767 | CC(Oc1ccc(Cl)cc1Cl)C(=O)N(C)C | [C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][Branch1][C][C][C] | c14ccc(Cl)cc1Cl.CC3C2=O.N2(C)C.O34 |
30768 | Cc1ccc(S(=O)(=O)N(CC(N)=O)Cc2cccc(C)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S5(=O)=O)cc1.c16cccc(C)c1.C3C(N)=O.N345.C46 |
30769 | COc1cccc(Oc2coc3cc(OCC(N)=O)ccc3c2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][=C][O][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][=C][Ring1][O][C][Ring1][#C][=O][=C][Ring2][Ring1][#Branch1] | c17coc2cc8ccc2c1=O.c15cccc6c1.C4C(N)=O.CO5.O67.O48 |
30771 | COCc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 | [C][O][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl][S][Ring2][Ring1][C] | c17sc2ccccc2c1Cl.c18nnc6s1.C47=O.CO5.C58.N46 |
30772 | COc1cccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N][=C][Ring2][Ring1][Branch1] | c15cccc6c1.c18cccc7c1.C4(=O)C(C)C.C38=O.CO5.N36.N47 |
30773 | CCC1CCCCN1C(=O)c1ccc(F)cc1F | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c13ccc(F)cc1F.C14CCCCN12.C23=O.CC4 |
30774 | CC1=C(C(=O)Nc2ccccc2)C(c2sccc2C)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][S][C][=C][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C5NC(=O)N1.c14ccccc1.c15sccc1C.N34 |
30775 | CC1(C)CC(=O)c2sc(NC(=O)c3ccc4c(c3)OCO4)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][=Ring1][P][C][Ring2][Ring1][#Branch1] | CC1(C)CC(=O)c2sc6nc2C1.c17ccc2c(c1)OCO2.C57=O.N56 |
30778 | Cc1sc2ncn(-c3ccc(F)cc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C] | Cc1sc2ncn4c(=O)c2c1C.c14ccc(F)cc1 |
30779 | O=C(NCC1CCCO1)c1cc(F)c(F)cc1Cl | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl] | c14cc(F)c(F)cc1Cl.C15CCCO1.O=C24.N23.C35 |
30780 | CCc1c(C)c2ccc(OCC(N)=O)cc2oc1=O | [C][C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][O][O][C][Ring1][S][=O] | c15c(C)c2ccc4cc2oc1=O.C3C(N)=O.CC5.O34 |
30781 | O=S(=O)(NCc1ccco1)c1cccc(F)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=S3(=O)c1cccc(F)c1.c14ccco1.N23.C24 |
30782 | COc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][P] | S4(=O)(=O)c1cccc(Cl)c1.c13ccc5cc1.CO3.N45 |
30783 | Cc1cccc(OC(C)C(=O)NCc2cccnc2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][C] | Cc1cccc5c1C.c17cccnc1.C4(C)C3=O.O45.N36.C67 |
30786 | O=S(=O)(Nc1cccc(Cl)c1)c1cccc(F)c1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=S2(=O)c1cccc(F)c1.c13cccc(Cl)c1.N23 |
30787 | Cc1ccc(N2CCN(C(=O)N3CCOCC3)CC2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][Cl] | Cc1ccc6cc1Cl.N16CCN4CC1.N15CCOCC1.C45=O |
30788 | Cc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.c14nnc5s1.C6C3=O.C5(C)C.N34 |
30789 | CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(Cl)c(C)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c16ccc(Cl)c(C)c1.c17ccc8cc1.C4(=O)C5C.CC3=O.N37.N48.O56 |
30790 | CC(=O)Nc1cccc(NC(=O)CCC2CCCCC2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][P] | c15cccc6c1.C17CCCCC1.C4(=O)CC7.CC3=O.N35.N46 |
30792 | CCOc1cccc(C(=O)Nc2ccccc2C(N)=O)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][C] | c15cccc7c1.c16ccccc18.C37=O.C8(N)=O.CC4.O45.N36 |
30793 | COC(=O)c1ccc(Cn2nc(C(F)(F)F)cc2C)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][O][Ring1][S] | n15nc7cc1C.c14ccc6o1.C7(F)(F)F.C34=O.CO3.C56 |
30794 | Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][=N][Ring2][Ring1][Branch2] | Cc1cccc6n1.c18cccc7c1.c19ccccc1.C48=O.C59=O.N46.N57 |
30795 | CC(C)C(=O)Nc1cccc(C(=O)N2CCCCC2C)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15cccc6c1.N14CCCCC1C.CC(C)C3=O.C46=O.N35 |
30797 | Cc1ccc(-n2ncc3c(N4CCCC4)ncnc32)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][O][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | n16ncc2c5ncnc21.Cc1ccc6c(C)c1.N15CCCC1 |
30798 | CC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][C] | S3(=O)(=O)c1ccc(F)c(Cl)c1.c15cccc4c1.CC5=O.N34 |
30799 | CCN(CC)C(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | C2(=O)C1=C(C)NC(=O)NC15.c15c(F)cccc1Cl.N234.CC3.C4C |
30800 | COc1cccc(S(=O)(=O)Nc2ccccc2OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][C] | c13cccc(S5(=O)=O)c1.c16ccccc14.CO3.N56.O4C |
30802 | O=S(=O)(Nc1ccccc1F)c1ccccc1F | [O][=S][=Branch1][C][=O][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=S2(=O)c1ccccc1F.c13ccccc1F.N23 |
30803 | CC1CN(S(=O)(=O)c2cccc(F)c2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Branch1][C][C][O][Ring1][P] | S3(=O)(=O)c1cccc(F)c1.CC1CN3CC(C)O1 |
30804 | Cc1cccc(S(=O)(=O)N2CC(C)OC(C)C2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][P] | Cc1cccc(S3(=O)=O)c1.N13CC(C)OC(C)C1 |
30805 | CCC(CO)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 | [C][C][C][Branch1][Ring1][C][O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ncnc2c1cnn25.c15ccc(Cl)cc1.CCC3CO.N34 |
30806 | CC(C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1 | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC34C2=O.N12CCOCC1.c13ccccc1.c14ccccc1 |
30807 | CC(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | S3(=O)(=O)c1cccc(C)c1.c15ccc4cc1.CC5=O.N34 |
30809 | CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][S] | c15cccc7c1.c16ccccc1F.CC(C)C3=O.C47=O.N35.N46 |
30810 | Cc1ccc(C(=O)NCC2CCCO2)c(F)c1F | [C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][S][F] | Cc1ccc5c(F)c1F.C16CCCO1.C35=O.N34.C46 |
30811 | COCc1nnc(NC(=O)Cc2ccc(C)cc2)s1 | [C][O][C][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][S] | c17ccc(C)cc1.c16nnc5s1.C3(=O)C7.CO4.C46.N35 |
30813 | COc1cc(C=c2sc3ncnn3c2=O)ccc1OCC(C)C | [C][O][C][=C][C][Branch1][#C][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O][=C][C][=C][Ring1][S][O][C][C][Branch1][C][C][C] | c15cc(C=c2sc3ncnn3c2=O)ccc16.C4C(C)C.CO5.O46 |
30814 | Cc1cccc(-n2ncc3c(N4CCCC(C)C4)ncnc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][N][=C][C][=C][Branch1][N][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][N][=C][N][=C][Ring1][=N][Ring1][S][=C][Ring2][Ring1][=Branch1] | n16ncc2c5ncnc21.Cc1cccc6c1.N15CCCC(C)C1 |
30815 | Cc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccc(Cl)cc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | C4(=O)CC1(O)C(=O)N(C)c2ccc(Cl)cc21.Cc1ccc4cc1 |
30817 | COc1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c14cccc(S6(=O)=O)c1.c17ccc2c(c1)OCO2.CO4.N56.C57 |
30818 | C#CCN1C(=O)C(O)(CC(=O)c2ccco2)c2ccccc21 | [C][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | C#CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccco1 |
30819 | COCc1cc(C)nc2sc(C(=O)Nc3ccccc3C)c(N)c12 | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][N][C][Ring2][Ring1][Branch1][=Ring1][S] | c18cc(C)nc2sc7c(N)c12.c16ccccc1C.C47=O.CO5.C58.N46 |
30820 | O=S(=O)(NCc1ccccn1)c1ccc(F)c(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=S3(=O)c1ccc(F)c(Cl)c1.c14ccccn1.N23.C24 |
30821 | Cc1cc(C)n(-c2ccc(C(=O)OC(C)C)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][N][N][=Ring2][Ring1][C] | Cc1cc(C)n6n1.c16ccc5cc1.C35=O.C4(C)C.O34 |
30822 | COc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][P] | S4(=O)(=O)c1cccc(Cl)c1.c13cccc5c1.CO3.N45 |
30824 | CN(C)C(=O)Oc1cccc2c(OC(=O)N(C)C)cccc12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Ring1][S][Ring1][N] | c17cccc2c8cccc12.CN5C.C35=O.C46=O.N6(C)C.O37.O48 |
30825 | NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3 | [N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][C][C][Ring1][N] | c15ccc2c3c(c(=O)oc2c1)CCCCC3.NC(=O)C4.O45 |
30826 | COc1cc(NC(=O)c2ccccc2)ccc1Cl | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Cl] | c14cc5ccc1Cl.c16ccccc1.C36=O.CO4.N35 |
30827 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c16ccc8cc1.N15CCCCC1.C47=O.C58=O.N46 |
30828 | CC(=O)Nc1ccc(NC(=O)C(C)Oc2cccc(C)c2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring2] | c16cccc(C)c1C.c17ccc8cc1.C4(=O)C5C.CC3=O.N37.N48.O56 |
30829 | O=C(CC1Nc2ccccc2N=C1O)c1cccs1 | [O][=C][Branch1][P][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][O][C][=C][C][=C][S][Ring1][Branch1] | C14Nc2ccccc2N=C1O.c13cccs1.O=C3C4 |
30830 | CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring1][P] | c16ccc(F)c(F)c1.c15cccc7c1.CC(C)C3=O.C47=O.N35.N46 |
30832 | CCN(CC)C(=O)C1=C(C)NC(=O)NC1c1ccccc1F | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C2(=O)C1=C(C)NC(=O)NC15.c15ccccc1F.N234.CC3.C4C |
30833 | CCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1C | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][F][C][C][Ring1][S][C] | N13CCN4CC1C.c14ccc5cc1F.CCC3=O.C5(C)=O |
30834 | COc1ccccc1Oc1coc2cc(OCC(N)=O)ccc2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][O][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][=C][Ring1][O][C][Ring1][#C][=O] | c16coc2cc7ccc2c1=O.c14ccccc15.C3C(N)=O.CO4.O56.O37 |
30835 | CC(Sc1ccccn1)C(=O)Nc1ccccc1 | [C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccn1.c14ccccc1.CC3C2=O.S35.N24 |
30838 | CC(C)C(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c16cccc7c1.c18ccccc1.CC(C)C3=O.C47=O.C5C8.N36.N45 |
30840 | COc1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][P] | c13cccc(S4(=O)=O)c1.c15ccc(F)cc1.CO3.N45 |
30841 | Cc1sc2ncnc(-n3nnc4ccccc43)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][=C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][#C][C][=Ring2][Ring1][C][C] | Cc1sc2ncnc5c2c1C.n15nnc2ccccc21 |
30842 | CCN(CC)C(=O)Nc1ccc(C(=O)OC)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2] | c17ccc8cc1.N356.C34=O.C28=O.CC5.C6C.N47.O2C |
30843 | CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][S] | S4(=O)(=O)c1ccc5cc1.c16ccccc1Cl.CN4C.C36=O.N35 |
30844 | CC1CN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][C][Branch1][C][C][O][Ring2][Ring1][Branch2] | CC1CN4CC(C)O1.c17cccc6c1.c18ccccc1.C47=O.C58=O.N56 |
30845 | COc1ccccc1NS(=O)(=O)c1cccc(Cl)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | S3(=O)(=O)c1cccc(Cl)c1.c12ccccc14.CO2.N34 |
30846 | CCOC(=O)c1c(-n2cnnn2)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][S][C][=C][Ring1][#Branch2][C][C][C][C][Ring1][=Branch1] | c15c6sc2c1CCCC2.n16cnnn1.C35=O.CC4.O34 |
30847 | CC(=O)c1ccc(N2CCN(C(=O)c3cccs3)C(C)C2)c(F)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][C][Ring1][=C][C][Branch1][C][F][=C][Ring2][Ring1][Branch1] | c17ccc5c(F)c1.N15CCN4C(C)C1.c16cccs1.CC7=O.C46=O |
30848 | COc1ccccc1NS(=O)(=O)c1cccc(F)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | S3(=O)(=O)c1cccc(F)c1.c12ccccc14.CO2.N34 |
30849 | COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1C(N)=O | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | c13c5cc(Cl)cc1Cl.c14ccccc16.C25=O.C6(N)=O.CO3.N24 |
30850 | O=C(c1cc(F)c(F)cc1Cl)N1CCc2ccccc2C1 | [O][=C][Branch1][S][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14cc(F)c(F)cc1Cl.O=C34 |
30851 | CNc1nc(Oc2ccc(=O)n(C)n2)nc(SC)n1 | [C][N][C][=N][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][C][Branch1][Ring1][S][C][=N][Ring1][P] | c15nc3nc6n1.c14ccc(=O)n(C)n1.CN5.O34.S6C |
30852 | O=C(Cc1ccccc1)Nc1ccccc1N1CCCC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c13ccccc14.c15ccccc1.N14CCCC1.O=C2C5.N23 |
30853 | CCC(Sc1nncn1C)C(=O)Nc1nc2ccccc2s1 | [C][C][C][Branch1][#Branch2][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c15nc2ccccc2s1.CCC4C3=O.c16nncn1C.S46.N35 |
30854 | Cc1cccc(S(=O)(=O)NCc2ccco2)c1 | [C][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][S] | Cc1cccc(S4(=O)=O)c1.c15ccco1.N34.C35 |
30855 | COC(=O)C(Oc1ccc2ccc(=O)oc2c1)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc2ccc(=O)oc2c1.c16ccccc1.C3(=O)C46.CO3.O45 |
30856 | Cc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c17nnc2ccccn12.Cc1ccc6cc1.C4(=O)C5.N46.S57 |
30857 | O=S(=O)(Nc1cccnc1)c1c(Cl)cccc1Cl | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | O=S2(=O)c1c(Cl)cccc1Cl.c13cccnc1.N23 |
30858 | COc1cccc(NS(=O)(=O)c2ccccc2F)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][P] | S4(=O)(=O)c1ccccc1F.c13cccc5c1.CO3.N45 |
30859 | Cc1c(OCC(=O)N(C)C)ccc2c3c(c(=O)oc12)CCCCC3 | [C][C][=C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring2][Ring1][C][=Ring1][#Branch1][C][C][C][C][C][Ring1][O] | Cc1c6ccc2c3c(c(=O)oc12)CCCCC3.C5C4=O.N4(C)C.O56 |
30860 | CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OC)c(OC)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c18ccc4c5c1.c16ccccc17.CCCC2=O.C38=O.N26.N37.O4C.O5C |
30861 | O=S(=O)(Nc1ccc(F)cc1)c1ccccc1F | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=S2(=O)c1ccccc1F.c13ccc(F)cc1.N23 |
30862 | COc1cccc(NS(=O)(=O)c2cccc(C)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring1][P] | S4(=O)(=O)c1cccc(C)c1.c13cccc5c1.CO3.N45 |
30863 | COc1ccccc1NC(=O)Cc1ccc(C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c13ccccc14.c15ccc(C)cc1.C2(=O)C5.CO3.N24 |
30864 | CCN(C(=O)c1cccc(NC(=O)C(C)C)c1)C1CCCCC1 | [C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N][C][C][C][C][C][C][Ring1][=Branch1] | c17cccc5c1.C16CCCCC1.C3(=O)C(C)C.N246.C27=O.CC4.N35 |
30866 | COC(=O)c1ccc(COc2cccc(OC)c2)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][Ring1][#C] | c15cccc6c1.c17ccc8o1.C37=O.CO3.C48.O45.O6C |
30867 | O=S(=O)(NCc1ccco1)c1ccc(F)c(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=S3(=O)c1ccc(F)c(Cl)c1.c14ccco1.N23.C24 |
30868 | O=C(Nc1ccccc1N1CCCC1)c1cccs1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] | c13ccccc14.N14CCCC1.c15cccs1.O=C25.N23 |
30869 | O=S(=O)(Nc1cccnc1)c1ccc(F)c(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=S2(=O)c1ccc(F)c(Cl)c1.c13cccnc1.N23 |
30871 | O=S(=O)(NCc1ccccn1)c1cccc(C(F)(F)F)c1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | O=S3(=O)c1cccc5c1.c14ccccn1.C5(F)(F)F.N23.C24 |
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