foundry-ml/foundry_moses_v1-1 · Datasets at Hugging Face

inchi stringlengths 33 163	smiles stringlengths 15 57
InChI=1S/C12H16N4O2S/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)	Cc1ncc(Cn2c(C)c(CCO)sc2=O)c(N)n1
InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3	Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2
InChI=1S/C17H13F3N2O2/c1-21-13-8-7-11(17(18,19)20)9-14(13)22(16(24)10-15(21)23)12-5-3-2-4-6-12/h2-9H,10H2,1H3	CN1C(=O)CC(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21
InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)	O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F
InChI=1S/C9H5BrClNO/c10-6-4-7(11)5-2-1-3-12-8(5)9(6)13/h1-4,13H	Oc1c(Br)cc(Cl)c2cccnc12
InChI=1S/C15H15FN4O/c1-9-13-14(10-6-4-5-7-11(10)16)17-8-12(21)19(2)15(13)20(3)18-9/h4-7H,8H2,1-3H3	Cc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2C
InChI=1S/C14H12N2O2S/c1-19(17,18)12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3	CS(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1
InChI=1S/C14H15ClN4/c1-9-12-13(10-4-3-5-11(15)8-10)16-6-7-17-14(12)19(2)18-9/h3-5,8,17H,6-7H2,1-2H3	Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2
InChI=1S/C11H9NO4S2/c12-18(15,16)10-5-8(6-17-10)11(14)7-1-3-9(13)4-2-7/h1-6,13H,(H2,12,15,16)	NS(=O)(=O)c1cc(C(=O)c2ccc(O)cc2)cs1
InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)	COC1C(O)C(CO)OC1n1cnc2c(N)ncnc21
InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)	Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1
InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3	Cc1nc2c(OCc3ccccc3)cccn2c1CC#N
InChI=1S/C14H12N4O/c15-7-9-1-3-10(4-2-9)18-14-11-5-6-12(19)13(11)16-8-17-14/h1-4,8,12,19H,5-6H2,(H,16,17,18)	N#Cc1ccc(Nc2ncnc3c2CCC3O)cc1
InChI=1S/C14H15N5/c1-18(2)13-12-14(16-9-15-13)19(10-17-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3	CN(C)c1ncnc2c1ncn2Cc1ccccc1
InChI=1S/C13H20N4O4/c1-5-20-12(19)17-9-7-16(6-8(9)10(14)15-17)11(18)21-13(2,3)4/h5-7H2,1-4H3,(H2,14,15)	CCOC(=O)n1nc(N)c2c1CN(C(=O)OC(C)(C)C)C2
InChI=1S/C14H10F2N2O/c15-11-4-1-5-12(16)10(11)7-18-8-13-9(14(18)19)3-2-6-17-13/h1-6H,7-8H2	O=C1c2cccnc2CN1Cc1c(F)cccc1F
InChI=1S/C15H14N2O2/c1-19-12-6-4-11(5-7-12)9-17-10-14-13(15(17)18)3-2-8-16-14/h2-8H,9-10H2,1H3	COc1ccc(CN2Cc3ncccc3C2=O)cc1
InChI=1S/C14H11ClN2O/c15-11-5-3-10(4-6-11)8-17-9-13-12(14(17)18)2-1-7-16-13/h1-7H,8-9H2	O=C1c2cccnc2CN1Cc1ccc(Cl)cc1
InChI=1S/C14H11ClN2O/c15-11-4-1-3-10(7-11)8-17-9-13-12(14(17)18)5-2-6-16-13/h1-7H,8-9H2	O=C1c2cccnc2CN1Cc1cccc(Cl)c1
InChI=1S/C14H11ClN2O/c15-12-6-2-1-4-10(12)8-17-9-13-11(14(17)18)5-3-7-16-13/h1-7H,8-9H2	O=C1c2cccnc2CN1Cc1ccccc1Cl
InChI=1S/C15H11F3N2O/c16-15(17,18)12-6-2-1-4-10(12)8-20-9-13-11(14(20)21)5-3-7-19-13/h1-7H,8-9H2	O=C1c2cccnc2CN1Cc1ccccc1C(F)(F)F
InChI=1S/C16H17N5O2S/c1-2-23-13-3-5-18-16(19-13)21-8-6-20(7-9-21)15(22)14-12(11-17)4-10-24-14/h3-5,10H,2,6-9H2,1H3	CCOc1ccnc(N2CCN(C(=O)c3sccc3C#N)CC2)n1
InChI=1S/C18H20N4/c1-3-16-13(2)20-18(17(12-19)21-16)22-10-8-14-6-4-5-7-15(14)9-11-22/h4-7H,3,8-11H2,1-2H3	CCc1nc(C#N)c(N2CCc3ccccc3CC2)nc1C
InChI=1S/C15H12N2OS/c1-18-13-6-2-4-11(8-13)14-10-19-15(17-14)12-5-3-7-16-9-12/h2-10H,1H3	COc1cccc(-c2csc(-c3cccnc3)n2)c1
InChI=1S/C16H16N2O/c19-16(13-7-9-17-10-8-13)18-15-6-5-12-3-1-2-4-14(12)11-15/h1-4,7-10,15H,5-6,11H2,(H,18,19)	O=C(NC1CCc2ccccc2C1)c1ccncc1
InChI=1S/C12H16N4O4/c1-12(19)8(18)7(4-17)20-11(12)16-3-2-6-9(13)14-5-15-10(6)16/h2-3,5,7-8,11,17-19H,4H2,1H3,(H2,13,14,15)	CC1(O)C(O)C(CO)OC1n1ccc2c(N)ncnc21
InChI=1S/C9H10F2N2O5/c1-9(11)5(15)4(14)7(18-9)13-2-3(10)6(16)12-8(13)17/h2,4-5,7,14-15H,1H3,(H,12,16,17)	CC1(F)OC(n2cc(F)c(=O)[nH]c2=O)C(O)C1O
InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)	CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1
InChI=1S/C14H13N3S/c1-18-14-16-12-7-2-3-8-13(12)17(14)10-11-6-4-5-9-15-11/h2-9H,10H2,1H3	CSc1nc2ccccc2n1Cc1ccccn1
InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3	Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O
InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1
InChI=1S/C15H13F2NO4S/c1-9(19)10-3-5-13(18-23(2,20)21)15(7-10)22-14-6-4-11(16)8-12(14)17/h3-8,18H,1-2H3	CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1
InChI=1S/C13H17N5O4/c1-15-11-10(12(20)16(2)13(15)21)18(8-14-11)7-9(19)17-3-5-22-6-4-17/h8H,3-7H2,1-2H3	Cn1c(=O)c2c(ncn2CC(=O)N2CCOCC2)n(C)c1=O
InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3	CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O
InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)	Nc1nc2c(ncn2C2OC(CO)C(O)C2F)c(=O)[nH]1
InChI=1S/C16H17N5O2/c1-8-10(5-9-6-11(22)3-4-12(9)23-2)7-19-15-13(8)14(17)20-16(18)21-15/h3-4,6-7,22H,5H2,1-2H3,(H4,17,18,19,20,21)	COc1ccc(O)cc1Cc1cnc2nc(N)nc(N)c2c1C
InChI=1S/C11H18N4O4S/c1-12-10(16)18-5-7-8(6-19-11(17)13-2)15(3)9(14-7)20-4/h5-6H2,1-4H3,(H,12,16)(H,13,17)	CNC(=O)OCc1nc(SC)n(C)c1COC(=O)NC
InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2	OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
InChI=1S/C9H10ClFN2O4/c10-4-2-13(9(16)12-8(4)15)7-1-5(11)6(3-14)17-7/h2,5-7,14H,1,3H2,(H,12,15,16)	O=c1[nH]c(=O)n(C2CC(F)C(CO)O2)cc1Cl
InChI=1S/C16H15N3O/c20-16(13-4-3-8-17-10-13)18-9-7-12-11-19-15-6-2-1-5-14(12)15/h1-6,8,10-11,19H,7,9H2,(H,18,20)	O=C(NCCc1c[nH]c2ccccc12)c1cccnc1
InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3	CC(C)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2ccccc21
InChI=1S/C10H10ClNO3S/c11-8-3-5-9(6-4-8)16(14,15)12-7-1-2-10(12)13/h3-6H,1-2,7H2	O=C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChI=1S/C17H16F3N3O/c18-17(19,20)14-4-1-5-15(11-14)22-7-9-23(10-8-22)16(24)13-3-2-6-21-12-13/h1-6,11-12H,7-10H2	O=C(c1cccnc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChI=1S/C13H15N5O2/c1-5-9-7(2)18-6-10(11-14-8(3)20-17-11)15-13(18)16-12(9)19-4/h6H,5H2,1-4H3	CCc1c(OC)nc2nc(-c3noc(C)n3)cn2c1C
InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	Cc1[nH]cnc1Cc1nc(-c2ccccc2)cs1
InChI=1S/C18H17N3O/c1-22-15-6-4-13(5-7-15)17-18(14-8-10-19-11-9-14)21-12-2-3-16(21)20-17/h4-11H,2-3,12H2,1H3	COc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1
InChI=1S/C15H16N2O3/c1-11(18)17-14(13-8-5-9-20-13)15(19)16-10-12-6-3-2-4-7-12/h2-9,14H,10H2,1H3,(H,16,19)(H,17,18)	CC(=O)NC(C(=O)NCc1ccccc1)c1ccco1
InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)	Nc1nc(NC2CC2)c2ncn(C3C=CC(CO)C3)c2n1
InChI=1S/C14H20O4S/c1-7(15)5-6-10-12(17)8(2)13(18)11(9(3)16)14(10)19-4/h7,15,17-18H,5-6H2,1-4H3	CSc1c(CCC(C)O)c(O)c(C)c(O)c1C(C)=O
InChI=1S/C16H10N2O2/c1-20-12-8-18-14-9-4-2-3-5-10(9)16(19)15-13(14)11(12)6-7-17-15/h2-8H,1H3	COc1cnc2c3c(nccc13)C(=O)c1ccccc1-2
InChI=1S/C16H17NO3S/c1-11-5-4-6-12(2)15(11)17-16(18)13-7-9-14(10-8-13)21(3,19)20/h4-10H,1-3H3,(H,17,18)	Cc1cccc(C)c1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChI=1S/C10H10N6O3/c1-5-12-6(14-19-5)3-16-4-11-8-7(16)9(17)13-10(18)15(8)2/h4H,3H2,1-2H3,(H,13,17,18)	Cc1nc(Cn2cnc3c2c(=O)[nH]c(=O)n3C)no1
InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)	NC(=O)N1c2ccccc2CC(=O)c2ccccc21
InChI=1S/C15H9F3N2O/c16-15(17,18)14-19-12-9-5-4-8-11(12)13(21)20(14)10-6-2-1-3-7-10/h1-9H	O=c1c2ccccc2nc(C(F)(F)F)n1-c1ccccc1
InChI=1S/C15H15N3O3/c1-21-13-5-4-11(14(16)19)7-12(13)15(20)18-9-10-3-2-6-17-8-10/h2-8H,9H2,1H3,(H2,16,19)(H,18,20)	COc1ccc(C(N)=O)cc1C(=O)NCc1cccnc1
InChI=1S/C12H10F3N3O/c1-7-5-10(19)11(16)17-18(7)9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17)	Cc1cc(=O)c(N)nn1-c1cccc(C(F)(F)F)c1
InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1
InChI=1S/C12H13ClN2O2/c13-9-3-5-10(6-4-9)14-11(16)8-15-7-1-2-12(15)17/h3-6H,1-2,7-8H2,(H,14,16)	O=C(CN1CCCC1=O)Nc1ccc(Cl)cc1
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)	Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChI=1S/C14H9NO2S/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8H,(H,15,17)	O=C(c1ccccc1)c1ccc2[nH]c(=O)sc2c1
InChI=1S/C15H11NO3/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8,17H,16H2	Nc1ccc(-c2cc(=O)c3cc(O)ccc3o2)cc1
InChI=1S/C14H16N2O3S/c1-14(2)13(18)11(16-5-3-4-10(16)17)12-9(19-14)6-8(7-15)20-12/h6,11,13,18H,3-5H2,1-2H3	CC1(C)Oc2cc(C#N)sc2C(N2CCCC2=O)C1O
InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2	O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21
InChI=1S/C19H23N3O3/c1-11-12(2)25-19-17(11)18(13-6-3-4-7-14(13)20-19)21-15(23)10-22-9-5-8-16(22)24/h3-10H2,1-2H3,(H,20,21,23)	Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3
InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3	CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1
InChI=1S/C20H15N3O2/c24-19(22-14-8-3-1-4-9-14)17-16-12-7-13-21-18(16)23(20(17)25)15-10-5-2-6-11-15/h1-13,25H,(H,22,24)	O=C(Nc1ccccc1)c1c(O)n(-c2ccccc2)c2ncccc12
InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H	O=C(c1ccccn1)c1cnn2c(-c3ccncc3)ccnc12
InChI=1S/C18H24N2O3/c1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11/h4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21)	COc1ccc(C2CNC(=O)NC2)cc1OC1CC2CCC1C2
InChI=1S/C16H22N2O3S/c1-13-6-8-14(9-7-13)22(20,21)18-12-4-5-15(18)16(19)17-10-2-3-11-17/h6-9,15H,2-5,10-12H2,1H3	Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCCC2)cc1
InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)	O=C1CN=C(c2ccc[nH]2)c2cc(Cl)ccc2N1
InChI=1S/C16H22N4O3/c1-3-7-19-14-12(15(22)20(8-4-2)16(19)23)17-13(18-14)10-5-6-11(21)9-10/h10H,3-9H2,1-2H3,(H,17,18)	CCCn1c(=O)c2[nH]c(C3CCC(=O)C3)nc2n(CCC)c1=O
InChI=1S/C14H15F3N2O2/c15-14(16,17)10-5-3-4-9(8-10)12(20)19-11-6-1-2-7-18-13(11)21/h3-5,8,11H,1-2,6-7H2,(H,18,21)(H,19,20)	O=C(NC1CCCCNC1=O)c1cccc(C(F)(F)F)c1
InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)	C=C1C(CO)C(O)CC1n1cnc2c(=O)[nH]c(N)nc21
InChI=1S/C16H16N2O3/c1-10-7-14(19)21-16-15(10)11(2)18(17-16)9-12-5-4-6-13(8-12)20-3/h4-8H,9H2,1-3H3	COc1cccc(Cn2nc3oc(=O)cc(C)c3c2C)c1
InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20)	Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21
InChI=1S/C17H18N2O3S/c1-9(2)16-19-18-15(23-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3	Cc1c(C)c2ccc(OCc3nnc(C(C)C)s3)cc2oc1=O
InChI=1S/C15H11ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)	NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
InChI=1S/C14H12N6/c1-9-3-4-11-10(7-9)12-13(19(11)2)16-14(18-17-12)20-6-5-15-8-20/h3-8H,1-2H3	Cc1ccc2c(c1)c1nnc(-n3ccnc3)nc1n2C
InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br
InChI=1S/C17H21NO3/c1-12-5-7-14(8-6-12)18-11-13-9-15(19-2)17(21-4)16(10-13)20-3/h5-10,18H,11H2,1-4H3	COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC
InChI=1S/C17H19NO/c19-17(15-8-4-9-15)18-12-11-14-7-3-6-13-5-1-2-10-16(13)14/h1-3,5-7,10,15H,4,8-9,11-12H2,(H,18,19)	O=C(NCCc1cccc2ccccc12)C1CCC1
InChI=1S/C18H15N5O/c24-18-16-6-2-1-5-15(16)17(14-4-3-7-19-12-14)21-23(18)11-10-22-9-8-20-13-22/h1-9,12-13H,10-11H2	O=c1c2ccccc2c(-c2cccnc2)nn1CCn1ccnc1
InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3	CCn1nc(-c2cccnc2)c2ccccc2c1=O
InChI=1S/C17H13ClN4O/c1-10-20-21-16-9-19-17(11-3-2-4-13(23)7-11)14-8-12(18)5-6-15(14)22(10)16/h2-8,23H,9H2,1H3	Cc1nnc2n1-c1ccc(Cl)cc1C(c1cccc(O)c1)=NC2
InChI=1S/C18H15FN4O/c19-16-7-3-13(4-8-16)9-17(24)18(23-12-21-11-22-23)15-5-1-14(10-20)2-6-15/h1-8,11-12,17-18,24H,9H2	N#Cc1ccc(C(C(O)Cc2ccc(F)cc2)n2cncn2)cc1
InChI=1S/C13H12ClN3O/c1-9-4-5-10(7-12(9)14)16-13(18)17-11-3-2-6-15-8-11/h2-8H,1H3,(H2,16,17,18)	Cc1ccc(NC(=O)Nc2cccnc2)cc1Cl
InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)	Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12
InChI=1S/C15H12O6/c1-9-14(12(17)7-8-19-9)21-15(18)11-5-3-4-6-13(11)20-10(2)16/h3-8H,1-2H3	CC(=O)Oc1ccccc1C(=O)Oc1c(C)occc1=O
InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2	O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3
InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1
InChI=1S/C14H16ClN3O3/c1-3-21-12-6-9(4-5-11(12)20-2)7-16-10-8-17-18-14(19)13(10)15/h4-6,8H,3,7H2,1-2H3,(H2,16,18,19)	CCOc1cc(CNc2cn[nH]c(=O)c2Cl)ccc1OC
InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)	COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O
InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)	Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1
InChI=1S/C15H12N2OS/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-c1nc2ccccc2s1
InChI=1S/C16H19FN2O3S/c1-10-19-15(11-5-3-2-4-6-11)16(22-10)12-7-8-14(13(17)9-12)23(18,20)21/h7-9,11H,2-6H2,1H3,(H2,18,20,21)	Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1
InChI=1S/C16H16N2O2S/c1-17-13-5-3-2-4-11(13)12-10-14(21-16(12)17)15(19)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3	Cn1c2ccccc2c2cc(C(=O)N3CCOCC3)sc21
InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)	Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1
InChI=1S/C15H12N2O2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H,16-17H2	Nc1ccc(-c2cc(=O)c3c(N)cccc3o2)cc1

InChI=1S/C12H16N4O2S/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)

Cc1ncc(Cn2c(C)c(CCO)sc2=O)c(N)n1

InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3

Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2

InChI=1S/C17H13F3N2O2/c1-21-13-8-7-11(17(18,19)20)9-14(13)22(16(24)10-15(21)23)12-5-3-2-4-6-12/h2-9H,10H2,1H3

CN1C(=O)CC(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21

InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)

O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F

InChI=1S/C9H5BrClNO/c10-6-4-7(11)5-2-1-3-12-8(5)9(6)13/h1-4,13H

Oc1c(Br)cc(Cl)c2cccnc12

InChI=1S/C15H15FN4O/c1-9-13-14(10-6-4-5-7-11(10)16)17-8-12(21)19(2)15(13)20(3)18-9/h4-7H,8H2,1-3H3

Cc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2C

InChI=1S/C14H12N2O2S/c1-19(17,18)12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3

CS(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1

InChI=1S/C14H15ClN4/c1-9-12-13(10-4-3-5-11(15)8-10)16-6-7-17-14(12)19(2)18-9/h3-5,8,17H,6-7H2,1-2H3

Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2

InChI=1S/C11H9NO4S2/c12-18(15,16)10-5-8(6-17-10)11(14)7-1-3-9(13)4-2-7/h1-6,13H,(H2,12,15,16)

NS(=O)(=O)c1cc(C(=O)c2ccc(O)cc2)cs1

InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)

COC1C(O)C(CO)OC1n1cnc2c(N)ncnc21

InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)

Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1

InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3

Cc1nc2c(OCc3ccccc3)cccn2c1CC#N

InChI=1S/C14H12N4O/c15-7-9-1-3-10(4-2-9)18-14-11-5-6-12(19)13(11)16-8-17-14/h1-4,8,12,19H,5-6H2,(H,16,17,18)

N#Cc1ccc(Nc2ncnc3c2CCC3O)cc1

InChI=1S/C14H15N5/c1-18(2)13-12-14(16-9-15-13)19(10-17-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3

CN(C)c1ncnc2c1ncn2Cc1ccccc1

InChI=1S/C13H20N4O4/c1-5-20-12(19)17-9-7-16(6-8(9)10(14)15-17)11(18)21-13(2,3)4/h5-7H2,1-4H3,(H2,14,15)

CCOC(=O)n1nc(N)c2c1CN(C(=O)OC(C)(C)C)C2

InChI=1S/C14H10F2N2O/c15-11-4-1-5-12(16)10(11)7-18-8-13-9(14(18)19)3-2-6-17-13/h1-6H,7-8H2

O=C1c2cccnc2CN1Cc1c(F)cccc1F

InChI=1S/C15H14N2O2/c1-19-12-6-4-11(5-7-12)9-17-10-14-13(15(17)18)3-2-8-16-14/h2-8H,9-10H2,1H3

COc1ccc(CN2Cc3ncccc3C2=O)cc1

InChI=1S/C14H11ClN2O/c15-11-5-3-10(4-6-11)8-17-9-13-12(14(17)18)2-1-7-16-13/h1-7H,8-9H2

O=C1c2cccnc2CN1Cc1ccc(Cl)cc1

InChI=1S/C14H11ClN2O/c15-11-4-1-3-10(7-11)8-17-9-13-12(14(17)18)5-2-6-16-13/h1-7H,8-9H2

O=C1c2cccnc2CN1Cc1cccc(Cl)c1

InChI=1S/C14H11ClN2O/c15-12-6-2-1-4-10(12)8-17-9-13-11(14(17)18)5-3-7-16-13/h1-7H,8-9H2

O=C1c2cccnc2CN1Cc1ccccc1Cl

InChI=1S/C15H11F3N2O/c16-15(17,18)12-6-2-1-4-10(12)8-20-9-13-11(14(20)21)5-3-7-19-13/h1-7H,8-9H2

O=C1c2cccnc2CN1Cc1ccccc1C(F)(F)F

InChI=1S/C16H17N5O2S/c1-2-23-13-3-5-18-16(19-13)21-8-6-20(7-9-21)15(22)14-12(11-17)4-10-24-14/h3-5,10H,2,6-9H2,1H3

CCOc1ccnc(N2CCN(C(=O)c3sccc3C#N)CC2)n1

InChI=1S/C18H20N4/c1-3-16-13(2)20-18(17(12-19)21-16)22-10-8-14-6-4-5-7-15(14)9-11-22/h4-7H,3,8-11H2,1-2H3

CCc1nc(C#N)c(N2CCc3ccccc3CC2)nc1C

InChI=1S/C15H12N2OS/c1-18-13-6-2-4-11(8-13)14-10-19-15(17-14)12-5-3-7-16-9-12/h2-10H,1H3

COc1cccc(-c2csc(-c3cccnc3)n2)c1

InChI=1S/C16H16N2O/c19-16(13-7-9-17-10-8-13)18-15-6-5-12-3-1-2-4-14(12)11-15/h1-4,7-10,15H,5-6,11H2,(H,18,19)

O=C(NC1CCc2ccccc2C1)c1ccncc1

InChI=1S/C12H16N4O4/c1-12(19)8(18)7(4-17)20-11(12)16-3-2-6-9(13)14-5-15-10(6)16/h2-3,5,7-8,11,17-19H,4H2,1H3,(H2,13,14,15)

CC1(O)C(O)C(CO)OC1n1ccc2c(N)ncnc21

InChI=1S/C9H10F2N2O5/c1-9(11)5(15)4(14)7(18-9)13-2-3(10)6(16)12-8(13)17/h2,4-5,7,14-15H,1H3,(H,12,16,17)

CC1(F)OC(n2cc(F)c(=O)[nH]c2=O)C(O)C1O

InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)

CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1

InChI=1S/C14H13N3S/c1-18-14-16-12-7-2-3-8-13(12)17(14)10-11-6-4-5-9-15-11/h2-9H,10H2,1H3

CSc1nc2ccccc2n1Cc1ccccn1

InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3

Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O

InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3

Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1

InChI=1S/C15H13F2NO4S/c1-9(19)10-3-5-13(18-23(2,20)21)15(7-10)22-14-6-4-11(16)8-12(14)17/h3-8,18H,1-2H3

CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1

InChI=1S/C13H17N5O4/c1-15-11-10(12(20)16(2)13(15)21)18(8-14-11)7-9(19)17-3-5-22-6-4-17/h8H,3-7H2,1-2H3

Cn1c(=O)c2c(ncn2CC(=O)N2CCOCC2)n(C)c1=O

InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3

CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O

InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)

Nc1nc2c(ncn2C2OC(CO)C(O)C2F)c(=O)[nH]1

InChI=1S/C16H17N5O2/c1-8-10(5-9-6-11(22)3-4-12(9)23-2)7-19-15-13(8)14(17)20-16(18)21-15/h3-4,6-7,22H,5H2,1-2H3,(H4,17,18,19,20,21)

COc1ccc(O)cc1Cc1cnc2nc(N)nc(N)c2c1C

InChI=1S/C11H18N4O4S/c1-12-10(16)18-5-7-8(6-19-11(17)13-2)15(3)9(14-7)20-4/h5-6H2,1-4H3,(H,12,16)(H,13,17)

CNC(=O)OCc1nc(SC)n(C)c1COC(=O)NC

InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2

OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F

InChI=1S/C9H10ClFN2O4/c10-4-2-13(9(16)12-8(4)15)7-1-5(11)6(3-14)17-7/h2,5-7,14H,1,3H2,(H,12,15,16)

O=c1[nH]c(=O)n(C2CC(F)C(CO)O2)cc1Cl

InChI=1S/C16H15N3O/c20-16(13-4-3-8-17-10-13)18-9-7-12-11-19-15-6-2-1-5-14(12)15/h1-6,8,10-11,19H,7,9H2,(H,18,20)

O=C(NCCc1c[nH]c2ccccc12)c1cccnc1

InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3

CC(C)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2ccccc21

InChI=1S/C10H10ClNO3S/c11-8-3-5-9(6-4-8)16(14,15)12-7-1-2-10(12)13/h3-6H,1-2,7H2

O=C1CCCN1S(=O)(=O)c1ccc(Cl)cc1

InChI=1S/C17H16F3N3O/c18-17(19,20)14-4-1-5-15(11-14)22-7-9-23(10-8-22)16(24)13-3-2-6-21-12-13/h1-6,11-12H,7-10H2

O=C(c1cccnc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

InChI=1S/C13H15N5O2/c1-5-9-7(2)18-6-10(11-14-8(3)20-17-11)15-13(18)16-12(9)19-4/h6H,5H2,1-4H3

CCc1c(OC)nc2nc(-c3noc(C)n3)cn2c1C

InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)

Cc1[nH]cnc1Cc1nc(-c2ccccc2)cs1

InChI=1S/C18H17N3O/c1-22-15-6-4-13(5-7-15)17-18(14-8-10-19-11-9-14)21-12-2-3-16(21)20-17/h4-11H,2-3,12H2,1H3

COc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1

InChI=1S/C15H16N2O3/c1-11(18)17-14(13-8-5-9-20-13)15(19)16-10-12-6-3-2-4-7-12/h2-9,14H,10H2,1H3,(H,16,19)(H,17,18)

CC(=O)NC(C(=O)NCc1ccccc1)c1ccco1

InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)

Nc1nc(NC2CC2)c2ncn(C3C=CC(CO)C3)c2n1

InChI=1S/C14H20O4S/c1-7(15)5-6-10-12(17)8(2)13(18)11(9(3)16)14(10)19-4/h7,15,17-18H,5-6H2,1-4H3

CSc1c(CCC(C)O)c(O)c(C)c(O)c1C(C)=O

InChI=1S/C16H10N2O2/c1-20-12-8-18-14-9-4-2-3-5-10(9)16(19)15-13(14)11(12)6-7-17-15/h2-8H,1H3

COc1cnc2c3c(nccc13)C(=O)c1ccccc1-2

InChI=1S/C16H17NO3S/c1-11-5-4-6-12(2)15(11)17-16(18)13-7-9-14(10-8-13)21(3,19)20/h4-10H,1-3H3,(H,17,18)

Cc1cccc(C)c1NC(=O)c1ccc(S(C)(=O)=O)cc1

InChI=1S/C10H10N6O3/c1-5-12-6(14-19-5)3-16-4-11-8-7(16)9(17)13-10(18)15(8)2/h4H,3H2,1-2H3,(H,13,17,18)

Cc1nc(Cn2cnc3c2c(=O)[nH]c(=O)n3C)no1

InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)

NC(=O)N1c2ccccc2CC(=O)c2ccccc21

InChI=1S/C15H9F3N2O/c16-15(17,18)14-19-12-9-5-4-8-11(12)13(21)20(14)10-6-2-1-3-7-10/h1-9H

O=c1c2ccccc2nc(C(F)(F)F)n1-c1ccccc1

InChI=1S/C15H15N3O3/c1-21-13-5-4-11(14(16)19)7-12(13)15(20)18-9-10-3-2-6-17-8-10/h2-8H,9H2,1H3,(H2,16,19)(H,18,20)

COc1ccc(C(N)=O)cc1C(=O)NCc1cccnc1

InChI=1S/C12H10F3N3O/c1-7-5-10(19)11(16)17-18(7)9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17)

Cc1cc(=O)c(N)nn1-c1cccc(C(F)(F)F)c1

InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)

Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1

InChI=1S/C12H13ClN2O2/c13-9-3-5-10(6-4-9)14-11(16)8-15-7-1-2-12(15)17/h3-6H,1-2,7-8H2,(H,14,16)

O=C(CN1CCCC1=O)Nc1ccc(Cl)cc1

InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)

Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1

InChI=1S/C14H9NO2S/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8H,(H,15,17)

O=C(c1ccccc1)c1ccc2[nH]c(=O)sc2c1

InChI=1S/C15H11NO3/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8,17H,16H2

Nc1ccc(-c2cc(=O)c3cc(O)ccc3o2)cc1

InChI=1S/C14H16N2O3S/c1-14(2)13(18)11(16-5-3-4-10(16)17)12-9(19-14)6-8(7-15)20-12/h6,11,13,18H,3-5H2,1-2H3

CC1(C)Oc2cc(C#N)sc2C(N2CCCC2=O)C1O

InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2

O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21

InChI=1S/C19H23N3O3/c1-11-12(2)25-19-17(11)18(13-6-3-4-7-14(13)20-19)21-15(23)10-22-9-5-8-16(22)24/h3-10H2,1-2H3,(H,20,21,23)

Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3

InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3

CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O

InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)

COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1

InChI=1S/C20H15N3O2/c24-19(22-14-8-3-1-4-9-14)17-16-12-7-13-21-18(16)23(20(17)25)15-10-5-2-6-11-15/h1-13,25H,(H,22,24)

O=C(Nc1ccccc1)c1c(O)n(-c2ccccc2)c2ncccc12

InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H

O=C(c1ccccn1)c1cnn2c(-c3ccncc3)ccnc12

InChI=1S/C18H24N2O3/c1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11/h4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21)

COc1ccc(C2CNC(=O)NC2)cc1OC1CC2CCC1C2

InChI=1S/C16H22N2O3S/c1-13-6-8-14(9-7-13)22(20,21)18-12-4-5-15(18)16(19)17-10-2-3-11-17/h6-9,15H,2-5,10-12H2,1H3

Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCCC2)cc1

InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)

O=C1CN=C(c2ccc[nH]2)c2cc(Cl)ccc2N1

InChI=1S/C16H22N4O3/c1-3-7-19-14-12(15(22)20(8-4-2)16(19)23)17-13(18-14)10-5-6-11(21)9-10/h10H,3-9H2,1-2H3,(H,17,18)

CCCn1c(=O)c2[nH]c(C3CCC(=O)C3)nc2n(CCC)c1=O

InChI=1S/C14H15F3N2O2/c15-14(16,17)10-5-3-4-9(8-10)12(20)19-11-6-1-2-7-18-13(11)21/h3-5,8,11H,1-2,6-7H2,(H,18,21)(H,19,20)

O=C(NC1CCCCNC1=O)c1cccc(C(F)(F)F)c1

InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)

C=C1C(CO)C(O)CC1n1cnc2c(=O)[nH]c(N)nc21

InChI=1S/C16H16N2O3/c1-10-7-14(19)21-16-15(10)11(2)18(17-16)9-12-5-4-6-13(8-12)20-3/h4-8H,9H2,1-3H3

COc1cccc(Cn2nc3oc(=O)cc(C)c3c2C)c1

InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20)

Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21

InChI=1S/C17H18N2O3S/c1-9(2)16-19-18-15(23-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3

Cc1c(C)c2ccc(OCc3nnc(C(C)C)s3)cc2oc1=O

InChI=1S/C15H11ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1

InChI=1S/C14H12N6/c1-9-3-4-11-10(7-9)12-13(19(11)2)16-14(18-17-12)20-6-5-15-8-20/h3-8H,1-2H3

Cc1ccc2c(c1)c1nnc(-n3ccnc3)nc1n2C

InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)

COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br

InChI=1S/C17H21NO3/c1-12-5-7-14(8-6-12)18-11-13-9-15(19-2)17(21-4)16(10-13)20-3/h5-10,18H,11H2,1-4H3

COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC

InChI=1S/C17H19NO/c19-17(15-8-4-9-15)18-12-11-14-7-3-6-13-5-1-2-10-16(13)14/h1-3,5-7,10,15H,4,8-9,11-12H2,(H,18,19)

O=C(NCCc1cccc2ccccc12)C1CCC1

InChI=1S/C18H15N5O/c24-18-16-6-2-1-5-15(16)17(14-4-3-7-19-12-14)21-23(18)11-10-22-9-8-20-13-22/h1-9,12-13H,10-11H2

O=c1c2ccccc2c(-c2cccnc2)nn1CCn1ccnc1

InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3

CCn1nc(-c2cccnc2)c2ccccc2c1=O

InChI=1S/C17H13ClN4O/c1-10-20-21-16-9-19-17(11-3-2-4-13(23)7-11)14-8-12(18)5-6-15(14)22(10)16/h2-8,23H,9H2,1H3

Cc1nnc2n1-c1ccc(Cl)cc1C(c1cccc(O)c1)=NC2

InChI=1S/C18H15FN4O/c19-16-7-3-13(4-8-16)9-17(24)18(23-12-21-11-22-23)15-5-1-14(10-20)2-6-15/h1-8,11-12,17-18,24H,9H2

N#Cc1ccc(C(C(O)Cc2ccc(F)cc2)n2cncn2)cc1

InChI=1S/C13H12ClN3O/c1-9-4-5-10(7-12(9)14)16-13(18)17-11-3-2-6-15-8-11/h2-8H,1H3,(H2,16,17,18)

Cc1ccc(NC(=O)Nc2cccnc2)cc1Cl

InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)

Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12

InChI=1S/C15H12O6/c1-9-14(12(17)7-8-19-9)21-15(18)11-5-3-4-6-13(11)20-10(2)16/h3-8H,1-2H3

CC(=O)Oc1ccccc1C(=O)Oc1c(C)occc1=O

InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2

O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3

InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3

CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1

InChI=1S/C14H16ClN3O3/c1-3-21-12-6-9(4-5-11(12)20-2)7-16-10-8-17-18-14(19)13(10)15/h4-6,8H,3,7H2,1-2H3,(H2,16,18,19)

CCOc1cc(CNc2cn[nH]c(=O)c2Cl)ccc1OC

InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3

CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21

InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)

COc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O

InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)

Nc1ccn(C2OC(CO)C(O)C2(F)F)c(=O)n1

InChI=1S/C15H12N2OS/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-c1nc2ccccc2s1

InChI=1S/C16H19FN2O3S/c1-10-19-15(11-5-3-2-4-6-11)16(22-10)12-7-8-14(13(17)9-12)23(18,20)21/h7-9,11H,2-6H2,1H3,(H2,18,20,21)

Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1

InChI=1S/C16H16N2O2S/c1-17-13-5-3-2-4-11(13)12-10-14(21-16(12)17)15(19)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3

Cn1c2ccccc2c2cc(C(=O)N3CCOCC3)sc21

InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)

Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1

InChI=1S/C15H12N2O2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H,16-17H2

Nc1ccc(-c2cc(=O)c3c(N)cccc3o2)cc1