inchi stringlengths 33 163 | smiles stringlengths 15 57 |
|---|---|
InChI=1S/C17H20N2O/c1-14(2)12-17(20)19(16-10-6-7-11-18-16)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3 | CC(C)CC(=O)N(Cc1ccccc1)c1ccccn1 |
InChI=1S/C13H12ClNO2S/c1-17-12-5-4-9(14)7-11(12)15-13(16)8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16) | COc1ccc(Cl)cc1NC(=O)Cc1cccs1 |
InChI=1S/C9H13ClN2O3S/c1-12(2)16(13,14)11-8-6-7(10)4-5-9(8)15-3/h4-6,11H,1-3H3 | COc1ccc(Cl)cc1NS(=O)(=O)N(C)C |
InChI=1S/C16H14ClNO2/c1-11(19)13-4-8-15(9-5-13)18-16(20)10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H,18,20) | CC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 |
InChI=1S/C14H13NO2S/c1-10(16)11-4-6-12(7-5-11)15-14(17)9-13-3-2-8-18-13/h2-8H,9H2,1H3,(H,15,17) | CC(=O)c1ccc(NC(=O)Cc2cccs2)cc1 |
InChI=1S/C17H17NO3/c1-12(19)14-8-10-15(11-9-14)18-17(20)13(2)21-16-6-4-3-5-7-16/h3-11,13H,1-2H3,(H,18,20) | CC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2)cc1 |
InChI=1S/C16H20ClNO3/c1-2-21-16(20)13-7-9-18(10-8-13)15(19)11-12-3-5-14(17)6-4-12/h3-6,13H,2,7-11H2,1H3 | CCOC(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 |
InChI=1S/C17H23NO3/c1-2-21-17(20)15-10-12-18(13-11-15)16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3 | CCOC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 |
InChI=1S/C14H19NO3S/c1-2-18-14(17)11-5-7-15(8-6-11)13(16)10-12-4-3-9-19-12/h3-4,9,11H,2,5-8,10H2,1H3 | CCOC(=O)C1CCN(C(=O)Cc2cccs2)CC1 |
InChI=1S/C10H20N2O4S/c1-4-16-10(13)9-5-7-12(8-6-9)17(14,15)11(2)3/h9H,4-8H2,1-3H3 | CCOC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 |
InChI=1S/C16H21NO4/c1-2-20-16(19)13-8-10-17(11-9-13)15(18)12-21-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3 | CCOC(=O)C1CCN(C(=O)COc2ccccc2)CC1 |
InChI=1S/C14H15NO2S/c1-17-12-6-4-11(5-7-12)10-15-14(16)9-13-3-2-8-18-13/h2-8H,9-10H2,1H3,(H,15,16) | COc1ccc(CNC(=O)Cc2cccs2)cc1 |
InChI=1S/C14H18ClNO/c1-11-4-2-3-9-16(11)14(17)10-12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3 | CC1CCCCN1C(=O)Cc1ccc(Cl)cc1 |
InChI=1S/C15H14BrNO/c16-14-8-6-12(7-9-14)10-15(18)17-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18) | O=C(Cc1ccc(Br)cc1)NCc1ccccc1 |
InChI=1S/C15H13F2NO2/c1-10(20-12-5-3-2-4-6-12)15(19)18-11-7-8-13(16)14(17)9-11/h2-10H,1H3,(H,18,19) | CC(Oc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 |
InChI=1S/C17H19NO2/c1-13-8-10-15(11-9-13)12-18-17(19)14(2)20-16-6-4-3-5-7-16/h3-11,14H,12H2,1-2H3,(H,18,19) | Cc1ccc(CNC(=O)C(C)Oc2ccccc2)cc1 |
InChI=1S/C17H19NO2/c1-12-8-7-9-13(2)16(12)18-17(19)14(3)20-15-10-5-4-6-11-15/h4-11,14H,1-3H3,(H,18,19) | Cc1cccc(C)c1NC(=O)C(C)Oc1ccccc1 |
InChI=1S/C14H18ClNO2/c1-10-8-16(9-11(2)18-10)14(17)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3 | CC1CN(C(=O)Cc2ccc(Cl)cc2)CC(C)O1 |
InChI=1S/C15H11ClN2O/c16-13-7-5-11(6-8-13)9-15(19)18-14-4-2-1-3-12(14)10-17/h1-8H,9H2,(H,18,19) | N#Cc1ccccc1NC(=O)Cc1ccc(Cl)cc1 |
InChI=1S/C14H13ClN2O3S/c15-11-3-1-10(2-4-11)9-14(18)17-12-5-7-13(8-6-12)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20) | NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 |
InChI=1S/C12H16BrNO/c1-9(2)8-14-12(15)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15) | CC(C)CNC(=O)Cc1ccc(Br)cc1 |
InChI=1S/C16H15BrN2O2/c1-11(20)18-14-3-2-4-15(10-14)19-16(21)9-12-5-7-13(17)8-6-12/h2-8,10H,9H2,1H3,(H,18,20)(H,19,21) | CC(=O)Nc1cccc(NC(=O)Cc2ccc(Br)cc2)c1 |
InChI=1S/C13H11BrN2O/c14-11-6-4-10(5-7-11)9-13(17)16-12-3-1-2-8-15-12/h1-8H,9H2,(H,15,16,17) | O=C(Cc1ccc(Br)cc1)Nc1ccccn1 |
InChI=1S/C15H11BrN2O/c16-13-7-5-11(6-8-13)9-15(19)18-14-4-2-1-3-12(14)10-17/h1-8H,9H2,(H,18,19) | N#Cc1ccccc1NC(=O)Cc1ccc(Br)cc1 |
InChI=1S/C15H13BrN2O2/c16-11-7-5-10(6-8-11)9-14(19)18-13-4-2-1-3-12(13)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19) | NC(=O)c1ccccc1NC(=O)Cc1ccc(Br)cc1 |
InChI=1S/C15H13BrN2O2/c16-12-5-1-10(2-6-12)9-14(19)18-13-7-3-11(4-8-13)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19) | NC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 |
InChI=1S/C17H19NO/c1-18(14-16-10-6-3-7-11-16)17(19)13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3 | CN(Cc1ccccc1)C(=O)CCc1ccccc1 |
InChI=1S/C17H19NO/c1-2-18(16-11-7-4-8-12-16)17(19)14-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3 | CCN(C(=O)CCc1ccccc1)c1ccccc1 |
InChI=1S/C16H23NO2/c1-4-15(14-8-6-5-7-9-14)16(18)17-10-12(2)19-13(3)11-17/h5-9,12-13,15H,4,10-11H2,1-3H3 | CCC(C(=O)N1CC(C)OC(C)C1)c1ccccc1 |
InChI=1S/C16H18N2O/c1-3-14(13-9-5-4-6-10-13)16(19)18-15-11-7-8-12(2)17-15/h4-11,14H,3H2,1-2H3,(H,17,18,19) | CCC(C(=O)Nc1cccc(C)n1)c1ccccc1 |
InChI=1S/C16H18N2O3S/c1-2-15(12-6-4-3-5-7-12)16(19)18-13-8-10-14(11-9-13)22(17,20)21/h3-11,15H,2H2,1H3,(H,18,19)(H2,17,20,21) | CCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 |
InChI=1S/C16H18N2O/c1-2-15(14-6-4-3-5-7-14)16(19)18-12-13-8-10-17-11-9-13/h3-11,15H,2,12H2,1H3,(H,18,19) | CCC(C(=O)NCc1ccncc1)c1ccccc1 |
InChI=1S/C17H18N2O2/c1-2-13(12-8-4-3-5-9-12)17(21)19-15-11-7-6-10-14(15)16(18)20/h3-11,13H,2H2,1H3,(H2,18,20)(H,19,21) | CCC(C(=O)Nc1ccccc1C(N)=O)c1ccccc1 |
InChI=1S/C15H15NOS/c17-15(10-14-6-3-9-18-14)16-8-7-12-4-1-2-5-13(12)11-16/h1-6,9H,7-8,10-11H2 | O=C(Cc1cccs1)N1CCc2ccccc2C1 |
InChI=1S/C14H15NO3S/c1-17-10-5-6-13(18-2)12(8-10)15-14(16)9-11-4-3-7-19-11/h3-8H,9H2,1-2H3,(H,15,16) | COc1ccc(OC)c(NC(=O)Cc2cccs2)c1 |
InChI=1S/C15H17NOS/c1-3-12-7-4-6-11(2)15(12)16-14(17)10-13-8-5-9-18-13/h4-9H,3,10H2,1-2H3,(H,16,17) | CCc1cccc(C)c1NC(=O)Cc1cccs1 |
InChI=1S/C14H13NO3S/c1-18-14(17)11-6-2-3-7-12(11)15-13(16)9-10-5-4-8-19-10/h2-8H,9H2,1H3,(H,15,16) | COC(=O)c1ccccc1NC(=O)Cc1cccs1 |
InChI=1S/C17H20N2O2S/c1-21-16-7-3-2-6-15(16)18-8-10-19(11-9-18)17(20)13-14-5-4-12-22-14/h2-7,12H,8-11,13H2,1H3 | COc1ccccc1N1CCN(C(=O)Cc2cccs2)CC1 |
InChI=1S/C14H15NO2S/c1-2-17-13-8-4-3-7-12(13)15-14(16)10-11-6-5-9-18-11/h3-9H,2,10H2,1H3,(H,15,16) | CCOc1ccccc1NC(=O)Cc1cccs1 |
InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17) | NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 |
InChI=1S/C14H14N2O2S/c1-10(17)15-11-4-6-12(7-5-11)16-14(18)9-13-3-2-8-19-13/h2-8H,9H2,1H3,(H,15,17)(H,16,18) | CC(=O)Nc1ccc(NC(=O)Cc2cccs2)cc1 |
InChI=1S/C13H12N2O2S/c14-13(17)9-3-5-10(6-4-9)15-12(16)8-11-2-1-7-18-11/h1-7H,8H2,(H2,14,17)(H,15,16) | NC(=O)c1ccc(NC(=O)Cc2cccs2)cc1 |
InChI=1S/C14H21NO3/c1-14(2,3)9-13(16)15-11-8-10(17-4)6-7-12(11)18-5/h6-8H,9H2,1-5H3,(H,15,16) | COc1ccc(OC)c(NC(=O)CC(C)(C)C)c1 |
InChI=1S/C13H20N2O3S/c1-13(2,3)8-12(16)15-9-10-4-6-11(7-5-10)19(14,17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H2,14,17,18) | CC(C)(C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1 |
InChI=1S/C17H19NO2S/c1-18(12-13-7-5-4-6-8-13)17(19)15-10-9-14(21-3)11-16(15)20-2/h4-11H,12H2,1-3H3 | COc1cc(SC)ccc1C(=O)N(C)Cc1ccccc1 |
InChI=1S/C18H19NO2S/c1-21-17-11-15(22-2)7-8-16(17)18(20)19-10-9-13-5-3-4-6-14(13)12-19/h3-8,11H,9-10,12H2,1-2H3 | COc1cc(SC)ccc1C(=O)N1CCc2ccccc2C1 |
InChI=1S/C16H14N2O2S/c1-20-15-9-12(21-2)7-8-13(15)16(19)18-14-6-4-3-5-11(14)10-17/h3-9H,1-2H3,(H,18,19) | COc1cc(SC)ccc1C(=O)Nc1ccccc1C#N |
InChI=1S/C17H18N2O3S/c1-11(20)18-12-4-6-13(7-5-12)19-17(21)15-9-8-14(23-3)10-16(15)22-2/h4-10H,1-3H3,(H,18,20)(H,19,21) | COc1cc(SC)ccc1C(=O)Nc1ccc(NC(C)=O)cc1 |
InChI=1S/C16H16N2O3S/c1-21-14-9-10(22-2)7-8-12(14)16(20)18-13-6-4-3-5-11(13)15(17)19/h3-9H,1-2H3,(H2,17,19)(H,18,20) | COc1cc(SC)ccc1C(=O)Nc1ccccc1C(N)=O |
InChI=1S/C16H16N2O3S/c1-21-14-9-12(22-2)7-8-13(14)16(20)18-11-5-3-10(4-6-11)15(17)19/h3-9H,1-2H3,(H2,17,19)(H,18,20) | COc1cc(SC)ccc1C(=O)Nc1ccc(C(N)=O)cc1 |
InChI=1S/C14H21NO3/c1-5-6-10(2)14(16)15-12-9-11(17-3)7-8-13(12)18-4/h7-10H,5-6H2,1-4H3,(H,15,16) | CCCC(C)C(=O)Nc1cc(OC)ccc1OC |
InChI=1S/C12H18N2O3S/c1-3-4-9(2)12(15)14-10-5-7-11(8-6-10)18(13,16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17) | CCCC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 |
InChI=1S/C13H20N2O3S/c1-3-4-10(2)13(16)15-9-11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18) | CCCC(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 |
InChI=1S/C17H19NO2/c1-14(20-16-11-7-4-8-12-16)17(19)18(2)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3 | CC(Oc1ccccc1)C(=O)N(C)Cc1ccccc1 |
InChI=1S/C18H19NO2/c1-14(21-17-9-3-2-4-10-17)18(20)19-12-11-15-7-5-6-8-16(15)13-19/h2-10,14H,11-13H2,1H3 | CC(Oc1ccccc1)C(=O)N1CCc2ccccc2C1 |
InChI=1S/C17H18N2O3/c1-12(22-16-9-4-3-5-10-16)17(21)19-15-8-6-7-14(11-15)18-13(2)20/h3-12H,1-2H3,(H,18,20)(H,19,21) | CC(=O)Nc1cccc(NC(=O)C(C)Oc2ccccc2)c1 |
InChI=1S/C15H16N2O2/c1-12(19-14-5-3-2-4-6-14)15(18)17-11-13-7-9-16-10-8-13/h2-10,12H,11H2,1H3,(H,17,18) | CC(Oc1ccccc1)C(=O)NCc1ccncc1 |
InChI=1S/C16H17NO2/c1-2-17(14-9-5-3-6-10-14)16(18)13-19-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3 | CCN(C(=O)COc1ccccc1)c1ccccc1 |
InChI=1S/C15H16N2O4S/c16-22(19,20)14-8-6-12(7-9-14)10-17-15(18)11-21-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)(H2,16,19,20) | NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2)cc1 |
InChI=1S/C16H15NO3/c1-2-20-16(19)13-9-6-10-14(11-13)17-15(18)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,18) | CCOC(=O)c1cccc(NC(=O)c2ccccc2)c1 |
InChI=1S/C15H19NO3/c1-2-19-15(18)13-9-6-10-16(11-13)14(17)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3 | CCOC(=O)C1CCCN(C(=O)c2ccccc2)C1 |
InChI=1S/C11H14BrNO2/c1-8(7-15-2)13-11(14)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14) | COCC(C)NC(=O)c1ccc(Br)cc1 |
InChI=1S/C11H9BrN2O2/c1-7-6-10(14-16-7)13-11(15)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15) | Cc1cc(NC(=O)c2ccc(Br)cc2)no1 |
InChI=1S/C13H12ClN3O/c1-8-7-9(2)16-13(15-8)17-12(18)10-3-5-11(14)6-4-10/h3-7H,1-2H3,(H,15,16,17,18) | Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2)n1 |
InChI=1S/C15H18ClNO3/c1-2-20-15(19)12-4-3-9-17(10-12)14(18)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3 | CCOC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1 |
InChI=1S/C14H16ClNO3/c1-19-14(18)11-6-8-16(9-7-11)13(17)10-2-4-12(15)5-3-10/h2-5,11H,6-9H2,1H3 | COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 |
InChI=1S/C11H13Cl2NO2/c1-7(6-16-2)14-11(15)9-4-3-8(12)5-10(9)13/h3-5,7H,6H2,1-2H3,(H,14,15) | COCC(C)NC(=O)c1ccc(Cl)cc1Cl |
InChI=1S/C11H8Cl2N2O2/c1-6-4-10(15-17-6)14-11(16)8-3-2-7(12)5-9(8)13/h2-5H,1H3,(H,14,15,16) | Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)no1 |
InChI=1S/C11H14BrNO2/c1-8(7-15-2)13-11(14)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3,(H,13,14) | COCC(C)NC(=O)c1ccccc1Br |
InChI=1S/C15H18BrNO3/c1-2-20-15(19)11-6-5-9-17(10-11)14(18)12-7-3-4-8-13(12)16/h3-4,7-8,11H,2,5-6,9-10H2,1H3 | CCOC(=O)C1CCCN(C(=O)c2ccccc2Br)C1 |
InChI=1S/C16H21NO3/c1-3-20-16(19)14-8-5-9-17(11-14)15(18)13-7-4-6-12(2)10-13/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3 | CCOC(=O)C1CCCN(C(=O)c2cccc(C)c2)C1 |
InChI=1S/C15H19NO3/c1-11-4-3-5-13(10-11)14(17)16-8-6-12(7-9-16)15(18)19-2/h3-5,10,12H,6-9H2,1-2H3 | COC(=O)C1CCN(C(=O)c2cccc(C)c2)CC1 |
InChI=1S/C14H19NO4S/c1-2-19-14(16)12-7-6-10-15(11-12)20(17,18)13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3 | CCOC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1 |
InChI=1S/C15H15NO4S/c1-11-2-5-13(6-3-11)21(17,18)16-9-12-4-7-14-15(8-12)20-10-19-14/h2-8,16H,9-10H2,1H3 | Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 |
InChI=1S/C13H21NO3S/c1-9-6-10(2)13(11(3)7-9)18(15,16)14-12(4)8-17-5/h6-7,12,14H,8H2,1-5H3 | COCC(C)NS(=O)(=O)c1c(C)cc(C)cc1C |
InChI=1S/C14H18FNO4S/c1-2-20-14(17)11-4-3-9-16(10-11)21(18,19)13-7-5-12(15)6-8-13/h5-8,11H,2-4,9-10H2,1H3 | CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 |
InChI=1S/C10H13Cl2NO3S/c1-7(6-16-2)13-17(14,15)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3 | COCC(C)NS(=O)(=O)c1cc(Cl)ccc1Cl |
InChI=1S/C12H18N2O4S/c1-9(8-18-3)14-19(16,17)12-6-4-11(5-7-12)13-10(2)15/h4-7,9,14H,8H2,1-3H3,(H,13,15) | COCC(C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 |
InChI=1S/C15H15ClN2O3S/c16-13-3-1-2-12(10-13)15(19)18-9-8-11-4-6-14(7-5-11)22(17,20)21/h1-7,10H,8-9H2,(H,18,19)(H2,17,20,21) | NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(Cl)c2)cc1 |
InChI=1S/C16H15ClN2O2/c1-11(20)19(2)15-8-6-14(7-9-15)18-16(21)12-4-3-5-13(17)10-12/h3-10H,1-2H3,(H,18,21) | CC(=O)N(C)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 |
InChI=1S/C15H18ClNO3/c1-2-20-15(19)12-6-4-8-17(10-12)14(18)11-5-3-7-13(16)9-11/h3,5,7,9,12H,2,4,6,8,10H2,1H3 | CCOC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1 |
InChI=1S/C15H18FNO3/c1-2-20-15(19)11-6-5-9-17(10-11)14(18)12-7-3-4-8-13(12)16/h3-4,7-8,11H,2,5-6,9-10H2,1H3 | CCOC(=O)C1CCCN(C(=O)c2ccccc2F)C1 |
InChI=1S/C15H18FNO3/c1-2-20-15(19)12-4-3-9-17(10-12)14(18)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3 | CCOC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1 |
InChI=1S/C16H17NO4S/c1-2-21-16(18)14-9-6-10-15(11-14)17-22(19,20)12-13-7-4-3-5-8-13/h3-11,17H,2,12H2,1H3 | CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2)c1 |
InChI=1S/C16H15BrN2O2/c1-11(20)19(2)15-8-6-14(7-9-15)18-16(21)12-4-3-5-13(17)10-12/h3-10H,1-2H3,(H,18,21) | CC(=O)N(C)c1ccc(NC(=O)c2cccc(Br)c2)cc1 |
InChI=1S/C15H18BrNO3/c1-2-20-15(19)12-6-4-8-17(10-12)14(18)11-5-3-7-13(16)9-11/h3,5,7,9,12H,2,4,6,8,10H2,1H3 | CCOC(=O)C1CCCN(C(=O)c2cccc(Br)c2)C1 |
InChI=1S/C14H16BrNO3/c1-19-14(18)10-5-7-16(8-6-10)13(17)11-3-2-4-12(15)9-11/h2-4,9-10H,5-8H2,1H3 | COC(=O)C1CCN(C(=O)c2cccc(Br)c2)CC1 |
InChI=1S/C11H13Cl2NO2/c1-7(6-16-2)14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15) | COCC(C)NC(=O)c1ccc(Cl)c(Cl)c1 |
InChI=1S/C15H17Cl2NO3/c1-2-21-15(20)11-4-3-7-18(9-11)14(19)10-5-6-12(16)13(17)8-10/h5-6,8,11H,2-4,7,9H2,1H3 | CCOC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 |
InChI=1S/C18H20N2O4/c1-12(21)20(2)14-7-5-13(6-8-14)19-18(22)16-10-9-15(23-3)11-17(16)24-4/h5-11H,1-4H3,(H,19,22) | COc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c(OC)c1 |
InChI=1S/C13H14N2O4/c1-8-6-12(15-19-8)14-13(16)10-5-4-9(17-2)7-11(10)18-3/h4-7H,1-3H3,(H,14,15,16) | COc1ccc(C(=O)Nc2cc(C)on2)c(OC)c1 |
InChI=1S/C18H19NO5/c1-4-24-18(21)12-6-5-7-14(8-12)19-17(20)13-9-15(22-2)11-16(10-13)23-3/h5-11H,4H2,1-3H3,(H,19,20) | CCOC(=O)c1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1 |
InChI=1S/C11H9ClN4O3/c1-6(17)13-9-10(16-19-15-9)14-11(18)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,13,15,17)(H,14,16,18) | CC(=O)Nc1nonc1NC(=O)c1ccccc1Cl |
InChI=1S/C14H11NO5S/c1-18-14(17)12-9(4-5-21-12)15-13(16)8-2-3-10-11(6-8)20-7-19-10/h2-6H,7H2,1H3,(H,15,16) | COC(=O)c1sccc1NC(=O)c1ccc2c(c1)OCO2 |
InChI=1S/C10H9BrN4O/c1-15-6-7(11)9(14-15)10(16)13-8-4-2-3-5-12-8/h2-6H,1H3,(H,12,13,16) | Cn1cc(Br)c(C(=O)Nc2ccccn2)n1 |
InChI=1S/C18H15NO5/c1-22-12-7-8-15(23-2)14(10-12)19-17(20)16-9-11-5-3-4-6-13(11)18(21)24-16/h3-10H,1-2H3,(H,19,20) | COc1ccc(OC)c(NC(=O)c2cc3ccccc3c(=O)o2)c1 |
InChI=1S/C14H13ClN2O/c1-9-6-7-10(8-12(9)15)17-14(18)11-4-2-3-5-13(11)16/h2-8H,16H2,1H3,(H,17,18) | Cc1ccc(NC(=O)c2ccccc2N)cc1Cl |
InChI=1S/C18H17N3O2S/c19-15(22)10-24-18-20-14-9-11-5-4-8-13(11)16(14)17(23)21(18)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H2,19,22) | NC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)C1=C(CCC1)C2 |
InChI=1S/C13H13NO3S/c1-16-10-6-5-9(8-11(10)17-2)14-13(15)12-4-3-7-18-12/h3-8H,1-2H3,(H,14,15) | COc1ccc(NC(=O)c2cccs2)cc1OC |
InChI=1S/C17H17NO5/c1-20-13-6-4-12(8-15(13)21-2)17(19)18-9-11-3-5-14-16(7-11)23-10-22-14/h3-8H,9-10H2,1-2H3,(H,18,19) | COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1OC |
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