inchi stringlengths 33 163 | smiles stringlengths 15 57 |
|---|---|
InChI=1S/C17H19NO4S/c1-21-16-10-9-14(12-17(16)22-2)23(19,20)18-11-5-7-13-6-3-4-8-15(13)18/h3-4,6,8-10,12H,5,7,11H2,1-2H3 | COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1OC |
InChI=1S/C13H14ClN3O2/c14-10-1-3-11(4-2-10)17-9-12(15-13(17)18)16-5-7-19-8-6-16/h1-4H,5-9H2 | O=C1N=C(N2CCOCC2)CN1c1ccc(Cl)cc1 |
InChI=1S/C15H15N5/c1-2-6-11-10(4-1)5-3-7-12(11)20-15-13-14(17-8-16-13)18-9-19-15/h1-2,4,6,8-9,12H,3,5,7H2,(H2,16,17,18,19,20) | c1ccc2c(c1)CCCC2Nc1ncnc2[nH]cnc12 |
InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18) | CCC(=O)NCCC1CCc2ccc3c(c21)CCO3 |
InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)12-8(4-14-7)11-15-9(12)13/h1-3H,4H2 | O=c1onc2n1-c1cc(Br)ccc1OC2 |
InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21) | CC(=O)OC1Cc2ccccc2N(C(N)=O)c2ccccc21 |
InChI=1S/C19H15FN4O/c1-25-14-10-15(21)23-19-17(14)16(11-6-8-22-9-7-11)18(24-19)12-2-4-13(20)5-3-12/h2-10H,1H3,(H3,21,23,24) | COc1cc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c12 |
InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 |
InChI=1S/C13H8BrNO2S/c1-18-12-6-11(17-13(16)10(12)7-15)8-2-4-9(14)5-3-8/h2-6H,1H3 | CSc1cc(-c2ccc(Br)cc2)oc(=O)c1C#N |
InChI=1S/C14H16N4O2S/c1-20-12-4-5-15-14(16-12)18-8-6-17(7-9-18)13(19)11-3-2-10-21-11/h2-5,10H,6-9H2,1H3 | COc1ccnc(N2CCN(C(=O)c3cccs3)CC2)n1 |
InChI=1S/C18H15ClN4/c1-11-10-23-17(21-11)8-13-2-5-14(19)9-16(13)18(22-23)12-3-6-15(20)7-4-12/h2-7,9-10H,8,20H2,1H3 | Cc1cn2c(n1)Cc1ccc(Cl)cc1C(c1ccc(N)cc1)=N2 |
InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16) | COCC(NC(C)=O)C(=O)NCc1ccccc1 |
InChI=1S/C15H12N2O5S/c18-11-7-5-10(6-8-11)16-14(19)9-17-15(20)12-3-1-2-4-13(12)23(17,21)22/h1-8,18H,9H2,(H,16,19) | O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)cc1 |
InChI=1S/C15H12N2OS2/c1-9-2-4-10(5-3-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18) | Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1 |
InChI=1S/C16H17N3OS/c1-9-10(2)14(20)11(3)15-13(9)19-16(21-15)18-8-12-5-4-6-17-7-12/h4-7,20H,8H2,1-3H3,(H,18,19) | Cc1c(O)c(C)c2sc(NCc3cccnc3)nc2c1C |
InChI=1S/C15H15N3OS/c1-9-6-12(19)10(2)14-13(9)18-15(20-14)17-8-11-4-3-5-16-7-11/h3-7,19H,8H2,1-2H3,(H,17,18) | Cc1cc(O)c(C)c2sc(NCc3cccnc3)nc12 |
InChI=1S/C11H11BrO3/c1-14-9-5-7(12)6-3-4-8(13)10(6)11(9)15-2/h5H,3-4H2,1-2H3 | COc1cc(Br)c2c(c1OC)C(=O)CC2 |
InChI=1S/C16H14N2O2/c1-19-15-8-12-13(9-16(15)20-2)18-14(10-17-12)11-6-4-3-5-7-11/h3-10H,1-2H3 | COc1cc2ncc(-c3ccccc3)nc2cc1OC |
InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19) | Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1 |
InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)16(17(15)10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2 | O=C1c2ccccc2C2(c3ccccc3)OCCN12 |
InChI=1S/C15H18N2O2/c1-19-12-4-5-14-13(8-12)11(9-17-14)6-7-16-15(18)10-2-3-10/h4-5,8-10,17H,2-3,6-7H2,1H3,(H,16,18) | COc1ccc2[nH]cc(CCNC(=O)C3CC3)c2c1 |
InChI=1S/C15H14O5/c1-20-11-4-2-9(3-5-11)6-12(17)15-13(18)7-10(16)8-14(15)19/h2-5,7-8,16,18-19H,6H2,1H3 | COc1ccc(CC(=O)c2c(O)cc(O)cc2O)cc1 |
InChI=1S/C16H13N3O/c20-16(13-4-2-1-3-5-13)18-14-8-6-12(7-9-14)15-10-11-17-19-15/h1-11H,(H,17,19)(H,18,20) | O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1 |
InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24) | O=C(Nc1ccc(Cl)cc1)c1ccccc1NCc1ccncc1 |
InChI=1S/C16H21N3O3/c1-21-14-7-12-13(8-15(14)22-2)19-16(9-17-12)18-10-3-5-11(20)6-4-10/h7-11,20H,3-6H2,1-2H3,(H,18,19) | COc1cc2ncc(NC3CCC(O)CC3)nc2cc1OC |
InChI=1S/C13H16FN3O2/c1-10(18)16-6-8-17(9-7-16)13(19)15-12-4-2-11(14)3-5-12/h2-5H,6-9H2,1H3,(H,15,19) | CC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 |
InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23) | Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 |
InChI=1S/C15H16N2O3/c18-14-11-5-1-2-6-13(11)16-9-12(14)15(19)17-8-10-4-3-7-20-10/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,18)(H,17,19) | O=C(NCC1CCCO1)c1c[nH]c2ccccc2c1=O |
InChI=1S/C16H14O7/c1-22-16(21)13-8(18)2-3-10-14(13)15(20)12-9(19)4-7(6-17)5-11(12)23-10/h2-5,8,13,17-19H,6H2,1H3 | COC(=O)C1c2c(oc3cc(CO)cc(O)c3c2=O)C=CC1O |
InChI=1S/C16H17N3O2S/c1-4-22-16-18-12(10-15-17-7-8-19(15)16)11-5-6-13(20-2)14(9-11)21-3/h5-10H,4H2,1-3H3 | CCSc1nc(-c2ccc(OC)c(OC)c2)cc2nccn12 |
InChI=1S/C14H12N4O2/c1-20-12-5-3-2-4-9(12)14(19)17-11-6-7-15-13-10(11)8-16-18-13/h2-8H,1H3,(H2,15,16,17,18,19) | COc1ccccc1C(=O)Nc1ccnc2[nH]ncc12 |
InChI=1S/C11H15N3O3S/c1-7(2)12-11-13-9-5-4-8(17-3)6-10(9)18(15,16)14-11/h4-7H,1-3H3,(H2,12,13,14) | COc1ccc2c(c1)S(=O)(=O)N=C(NC(C)C)N2 |
InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H | Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)cc1 |
InChI=1S/C16H14FNO/c17-14-7-5-11(6-8-14)16(19)18-15-9-12-3-1-2-4-13(12)10-15/h1-8,15H,9-10H2,(H,18,19) | O=C(NC1Cc2ccccc2C1)c1ccc(F)cc1 |
InChI=1S/C19H14N4/c1-2-6-14(7-3-1)18-12-15(9-11-21-18)16-13-22-23-19(16)17-8-4-5-10-20-17/h1-13H,(H,22,23) | c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1 |
InChI=1S/C16H16N4O/c1-2-6-15(21)18-16-12-9-13(11-7-4-3-5-8-11)17-10-14(12)19-20-16/h3-5,7-10H,2,6H2,1H3,(H2,18,19,20,21) | CCCC(=O)Nc1n[nH]c2cnc(-c3ccccc3)cc12 |
InChI=1S/C12H11ClO4/c1-16-9-6-10(14)17-12(9)11(15)7-4-2-3-5-8(7)13/h2-6,11-12,15H,1H3 | COC1=CC(=O)OC1C(O)c1ccccc1Cl |
InChI=1S/C11H15N5OS/c1-7-5-12-9(8(2)10(7)17-4)6-18-11-13-14-15-16(11)3/h5H,6H2,1-4H3 | COc1c(C)cnc(CSc2nnnn2C)c1C |
InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,17,18,19) | COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC |
InChI=1S/C8H9BrN2O5/c9-4-1-11(8(14)10-7(4)13)5-3-15-6(2-12)16-5/h1,5-6,12H,2-3H2,(H,10,13,14) | O=c1[nH]c(=O)n(C2COC(CO)O2)cc1Br |
InChI=1S/C10H7Cl3N4/c11-4-1-5(8(13)6(12)2-4)9-10(15)17-7(14)3-16-9/h1-3H,(H4,14,15,17) | Nc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1 |
InChI=1S/C13H16N4O2/c1-18-10-4-3-8(11(6-10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17) | COc1ccc(Cc2cnc(N)nc2N)c(OC)c1 |
InChI=1S/C18H19N3O2/c1-14(22)15-4-6-17(7-5-15)20-9-11-21(12-10-20)18(23)16-3-2-8-19-13-16/h2-8,13H,9-12H2,1H3 | CC(=O)c1ccc(N2CCN(C(=O)c3cccnc3)CC2)cc1 |
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18) | Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1 |
InChI=1S/C14H15N5O2/c1-8-15-12(18-21-8)10-7-19-11-6-4-3-5-9(11)13(20-2)17-14(19)16-10/h7H,3-6H2,1-2H3 | COc1nc2nc(-c3noc(C)n3)cn2c2c1CCCC2 |
InChI=1S/C16H15NO3/c1-19-13-4-5-15-14(8-13)16(18)12(10-20-15)7-11-3-2-6-17-9-11/h2-6,8-9,12H,7,10H2,1H3 | COc1ccc2c(c1)C(=O)C(Cc1cccnc1)CO2 |
InChI=1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2 | O=C(C1CCCN1C(=O)OCc1ccccc1)N1CCCC1 |
InChI=1S/C16H15F2N5O/c1-11(15-4-5-19-8-21-15)16(24,7-23-10-20-9-22-23)13-3-2-12(17)6-14(13)18/h2-6,8-11,24H,7H2,1H3 | CC(c1ccncn1)C(O)(Cn1cncn1)c1ccc(F)cc1F |
InChI=1S/C12H12O4S/c1-6(13)8-9(14)12(17-3)11-7(4-5-16-11)10(8)15-2/h4-5,14H,1-3H3 | COc1c(C(C)=O)c(O)c(SC)c2occc12 |
InChI=1S/C16H18N2O/c1-10-5-4-6-11(2)15(10)18-16(19)13-7-8-14(17)12(3)9-13/h4-9H,17H2,1-3H3,(H,18,19) | Cc1cc(C(=O)Nc2c(C)cccc2C)ccc1N |
InChI=1S/C17H14N2O3/c1-10(20)18-13-8-5-7-12-15(13)16(21)11-6-3-4-9-14(11)19(2)17(12)22/h3-9H,1-2H3,(H,18,20) | CC(=O)Nc1cccc2c(=O)n(C)c3ccccc3c(=O)c12 |
InChI=1S/C15H11NO3/c1-16-12-9-11(7-8-13(12)19-15(16)18)14(17)10-5-3-2-4-6-10/h2-9H,1H3 | Cn1c(=O)oc2ccc(C(=O)c3ccccc3)cc21 |
InChI=1S/C14H15N5O/c20-7-11(6-10-4-2-1-3-5-10)19-14-12-13(16-8-15-12)17-9-18-14/h1-5,8-9,11,20H,6-7H2,(H2,15,16,17,18,19) | OCC(Cc1ccccc1)Nc1ncnc2[nH]cnc12 |
InChI=1S/C10H16N4O2S/c1-9-7-10(12-8-11-9)13-3-5-14(6-4-13)17(2,15)16/h7-8H,3-6H2,1-2H3 | Cc1cc(N2CCN(S(C)(=O)=O)CC2)ncn1 |
InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16) | Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1 |
InChI=1S/C12H9ClF3N3O/c1-6-4-10(20)11(17)18-19(6)9-5-7(12(14,15)16)2-3-8(9)13/h2-5H,1H3,(H2,17,18) | Cc1cc(=O)c(N)nn1-c1cc(C(F)(F)F)ccc1Cl |
InChI=1S/C16H20ClN3O2/c17-13-3-1-4-14(11-13)18-7-9-19(10-8-18)16(22)12-20-6-2-5-15(20)21/h1,3-4,11H,2,5-10,12H2 | O=C(CN1CCCC1=O)N1CCN(c2cccc(Cl)c2)CC1 |
InChI=1S/C13H11BrN4O/c1-2-18-11-9(6-8(14)7-16-11)13(19)17-10-4-3-5-15-12(10)18/h3-7H,2H2,1H3,(H,17,19) | CCN1c2ncccc2NC(=O)c2cc(Br)cnc21 |
InChI=1S/C15H13N3O/c1-10-6-5-9-16-14(10)18-11(2)17-13-8-4-3-7-12(13)15(18)19/h3-9H,1-2H3 | Cc1cccnc1-n1c(C)nc2ccccc2c1=O |
InChI=1S/C14H18N2O4S/c1-14(2)12(18)10(16-5-3-4-9(16)17)11-7(20-14)6-8(21-11)13(15)19/h6,10,12,18H,3-5H2,1-2H3,(H2,15,19) | CC1(C)Oc2cc(C(N)=O)sc2C(N2CCCC2=O)C1O |
InChI=1S/C15H14O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-2,4-7,9,16-17,19H,3,8H2 | O=C(CCc1ccc(O)cc1)c1ccc(O)cc1O |
InChI=1S/C15H13N3O2/c1-18-13-11(8-5-9-16-13)12(15(18)20)14(19)17-10-6-3-2-4-7-10/h2-9,20H,1H3,(H,17,19) | Cn1c(O)c(C(=O)Nc2ccccc2)c2cccnc21 |
InChI=1S/C18H19N3O2/c1-18(2,3)21-15-13(10-7-11-19-15)14(17(21)23)16(22)20-12-8-5-4-6-9-12/h4-11,23H,1-3H3,(H,20,22) | CC(C)(C)n1c(O)c(C(=O)Nc2ccccc2)c2cccnc21 |
InChI=1S/C14H20N2O3S/c1-11-5-7-13(8-6-11)20(18,19)15-12(2)14(17)16-9-3-4-10-16/h5-8,12,15H,3-4,9-10H2,1-2H3 | Cc1ccc(S(=O)(=O)NC(C)C(=O)N2CCCC2)cc1 |
InChI=1S/C17H26N2O3S/c1-13(2)12-16(17(20)19-10-4-5-11-19)18-23(21,22)15-8-6-14(3)7-9-15/h6-9,13,16,18H,4-5,10-12H2,1-3H3 | Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N2CCCC2)cc1 |
InChI=1S/C15H14O4/c1-7-4-9(16)5-8-6-10-11(17)2-3-12(18)14(10)15(19)13(7)8/h4-6,11,16-17,19H,2-3H2,1H3 | Cc1cc(O)cc2cc3c(c(O)c12)C(=O)CCC3O |
InChI=1S/C14H18N2O3/c1-19-11-7-5-10(6-8-11)13(17)16-12-4-2-3-9-15-14(12)18/h5-8,12H,2-4,9H2,1H3,(H,15,18)(H,16,17) | COc1ccc(C(=O)NC2CCCCNC2=O)cc1 |
InChI=1S/C12H14BrNO3S/c1-8(12(15)14-9-6-7-9)18(16,17)11-5-3-2-4-10(11)13/h2-5,8-9H,6-7H2,1H3,(H,14,15) | CC(C(=O)NC1CC1)S(=O)(=O)c1ccccc1Br |
InChI=1S/C9H8Cl2N6/c10-5-3(1-2-4(12)6(5)11)7-8(13)15-9(14)17-16-7/h1-2H,12H2,(H4,13,14,15,17) | Nc1nnc(-c2ccc(N)c(Cl)c2Cl)c(N)n1 |
InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21) | CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N |
InChI=1S/C19H16N2O2/c1-3-17(22)14-9-16-18-13(10-21(16)19(23)11(14)2)8-12-6-4-5-7-15(12)20-18/h4-9H,3,10H2,1-2H3 | CCC(=O)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2 |
InChI=1S/C19H18N2O2/c1-3-17(22)14-9-16-18-13(10-21(16)19(23)11(14)2)8-12-6-4-5-7-15(12)20-18/h4-9,17,22H,3,10H2,1-2H3 | CCC(O)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2 |
InChI=1S/C13H18N2O4S/c1-10(16)15-11-4-6-13(7-5-11)20(17,18)14-9-12-3-2-8-19-12/h4-7,12,14H,2-3,8-9H2,1H3,(H,15,16) | CC(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1 |
InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19) | Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)sn1 |
InChI=1S/C14H13N5O/c1-19-5-4-10-6-11(2-3-13(10)19)17-14(20)18-12-7-15-9-16-8-12/h2-9H,1H3,(H2,17,18,20) | Cn1ccc2cc(NC(=O)Nc3cncnc3)ccc21 |
InChI=1S/C14H14N4O2/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19) | Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)on1 |
InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3 | CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1 |
InChI=1S/C20H18N2O2/c1-21-20(24)16-9-5-10-17(12-16)22-19(23)13-15-8-4-7-14-6-2-3-11-18(14)15/h2-12H,13H2,1H3,(H,21,24)(H,22,23) | CNC(=O)c1cccc(NC(=O)Cc2cccc3ccccc23)c1 |
InChI=1S/C14H16N4O3/c1-20-12-4-5-15-14(16-12)18-8-6-17(7-9-18)13(19)11-3-2-10-21-11/h2-5,10H,6-9H2,1H3 | COc1ccnc(N2CCN(C(=O)c3ccco3)CC2)n1 |
InChI=1S/C16H18N4O2/c1-22-14-7-8-17-16(18-14)20-11-9-19(10-12-20)15(21)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3 | COc1ccnc(N2CCN(C(=O)c3ccccc3)CC2)n1 |
InChI=1S/C15H17N5O2/c1-22-13-5-7-17-15(18-13)20-10-8-19(9-11-20)14(21)12-4-2-3-6-16-12/h2-7H,8-11H2,1H3 | COc1ccnc(N2CCN(C(=O)c3ccccn3)CC2)n1 |
InChI=1S/C14H11Cl2N3O2/c15-10-6-5-8(7-11(10)16)18-14(21)19-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21) | NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 |
InChI=1S/C12H11FN2O2S/c1-9-2-5-11(8-14-9)15-18(16,17)12-6-3-10(13)4-7-12/h2-8,15H,1H3 | Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cn1 |
InChI=1S/C16H13N3O/c20-16(18-13-6-2-1-3-7-13)19-14-8-9-15-12(11-14)5-4-10-17-15/h1-11H,(H2,18,19,20) | O=C(Nc1ccccc1)Nc1ccc2ncccc2c1 |
InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-4-10(7-9)18-12(20)19-11-5-2-6-17-8-11/h1-8H,(H2,18,19,20) | O=C(Nc1cccnc1)Nc1cccc(C(F)(F)F)c1 |
InChI=1S/C15H10N2O3/c18-12-8-14(20-13-6-2-1-5-11(12)13)15(19)17-10-4-3-7-16-9-10/h1-9H,(H,17,19) | O=C(Nc1cccnc1)c1cc(=O)c2ccccc2o1 |
InChI=1S/C13H11ClN4O/c1-9(19-11-4-2-10(14)3-5-11)12-6-7-15-13-16-8-17-18(12)13/h2-9H,1H3 | CC(Oc1ccc(Cl)cc1)c1ccnc2ncnn12 |
InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21) | NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl |
InChI=1S/C18H18N2O/c21-18(12-14-6-2-1-3-7-14)19-11-10-15-13-20-17-9-5-4-8-16(15)17/h1-9,13,20H,10-12H2,(H,19,21) | O=C(Cc1ccccc1)NCCc1c[nH]c2ccccc12 |
InChI=1S/C19H23NO3/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12,16H,2-5,8-11H2,1H3 | COc1ccc(C2(C#N)CCC(=O)CC2)cc1OC1CCCC1 |
InChI=1S/C16H15N3O2/c1-21-10-15(20)17-12-7-3-2-6-11(12)16-18-13-8-4-5-9-14(13)19-16/h2-9H,10H2,1H3,(H,17,20)(H,18,19) | COCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 |
InChI=1S/C15H12N2O2/c1-10(18)16-12-7-3-2-6-11(12)15-17-13-8-4-5-9-14(13)19-15/h2-9H,1H3,(H,16,18) | CC(=O)Nc1ccccc1-c1nc2ccccc2o1 |
InChI=1S/C18H16N2O4/c1-2-24-18(23)14-15(21)13-9-6-10-19-16(13)20(17(14)22)11-12-7-4-3-5-8-12/h3-10,21H,2,11H2,1H3 | CCOC(=O)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O |
InChI=1S/C16H14N2O4S/c17-23(20,21)13-8-6-11(7-9-13)15-14(10-19)22-18-16(15)12-4-2-1-3-5-12/h1-9,19H,10H2,(H2,17,20,21) | NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2CO)cc1 |
InChI=1S/C17H19NO4S/c1-21-16-10-8-13(11-17(16)22-2)23(19,20)18-15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10-11,15,18H,7,9H2,1-2H3 | COc1ccc(S(=O)(=O)NC2CCc3ccccc32)cc1OC |
InChI=1S/C18H21NO4S/c1-22-17-11-10-14(12-18(17)23-2)24(20,21)19-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-12,16,19H,5,7,9H2,1-2H3 | COc1ccc(S(=O)(=O)NC2CCCc3ccccc32)cc1OC |
InChI=1S/C17H19NO4S/c1-21-16-8-7-15(11-17(16)22-2)23(19,20)18-10-9-13-5-3-4-6-14(13)12-18/h3-8,11H,9-10,12H2,1-2H3 | COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1OC |
InChI=1S/C16H17NO4S/c1-20-15-8-7-13(11-16(15)21-2)22(18,19)17-10-9-12-5-3-4-6-14(12)17/h3-8,11H,9-10H2,1-2H3 | COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1OC |
InChI=1S/C17H19N7O/c1-22(14-5-3-2-4-6-14)15-19-16(23-9-11-25-12-10-23)21-17(20-15)24-8-7-18-13-24/h2-8,13H,9-12H2,1H3 | CN(c1ccccc1)c1nc(N2CCOCC2)nc(-n2ccnc2)n1 |
InChI=1S/C14H16ClN3O/c15-11-4-6-12(7-5-11)18-10-13(16-14(18)19)17-8-2-1-3-9-17/h4-7H,1-3,8-10H2 | O=C1N=C(N2CCCCC2)CN1c1ccc(Cl)cc1 |
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