EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CN/C(=N/C(=O)OC(C)C)N2CCN(CC(=O)NC(C)C)CC2)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][=Branch1][S][C][NH1][C][S][C][Branch2][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=Branch1][=C][C][=Ring1][P][C][=Ring2][Ring1][Ring2][C@H1][Branch1][C][C][C][N][/C][=Branch1][N][=N][/C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][=N][=C][Ring2][Branch1][Ring2]
InChI: InChI=1S/C41H59N7O4S/c1-24(2)43-34(49)23-46-14-16-47(17-15-46)39(45-40(51)52-25(3)4)42-22-28(7)35-32-21-33(41(8,9)38(50)48-30-10-11-31(48)13-12-30)53-37(32)44-36(35)29-19-26(5)18-27(6)20-29/h18-21,24-25,28,30-31,44H,10-17,22-23H2,1-9H3,(H,43,49)(H,42,45,51)/t28-,30?,31?/m1/s1
SMILES: Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4CCCC4)cc3c2[C@H](C)C(=O)NCCc2ccncc2)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][=Branch1][C][NH1][C][S][C][Branch2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=Ring1][#C][C][=Ring2][Ring1][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C32H38N4O2S/c1-20-16-21(2)18-24(17-20)28-27(22(3)29(37)34-13-10-23-8-11-33-12-9-23)25-19-26(39-30(25)35-28)32(4,5)31(38)36-14-6-7-15-36/h8-9,11-12,16-19,22,35H,6-7,10,13-15H2,1-5H3,(H,34,37)/t22-/m0/s1
SMILES: Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4CCCC4)cc3c2[C@H](C)C(=O)NCCc2cccn2C)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][=Branch1][C][NH1][C][S][C][Branch2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=Ring1][#C][C][=Ring2][Ring1][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C32H40N4O2S/c1-20-16-21(2)18-23(17-20)28-27(22(3)29(37)33-12-11-24-10-9-13-35(24)6)25-19-26(39-30(25)34-28)32(4,5)31(38)36-14-7-8-15-36/h9-10,13,16-19,22,34H,7-8,11-12,14-15H2,1-6H3,(H,33,37)/t22-/m0/s1
SMILES: Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4CCCC4)cc3c2[C@H](C)C(=O)NCNCCCN2CCN(C)CC2)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][N][C][NH1][C][S][C][Branch2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=Ring1][#C][C][=Ring2][Ring1][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][N][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C34H50N6O2S/c1-23-18-24(2)20-26(19-23)30-29(25(3)31(41)36-22-35-10-9-11-39-16-14-38(6)15-17-39)27-21-28(43-32(27)37-30)34(4,5)33(42)40-12-7-8-13-40/h18-21,25,35,37H,7-17,22H2,1-6H3,(H,36,41)/t25-/m0/s1
SMILES: Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4CCCC4)cc3c2[C@H](C)CNC(=O)NCCO)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][P][C][NH1][C][S][C][Branch2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=Ring1][#C][C][=Ring2][Ring1][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][O][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C28H38N4O3S/c1-17-12-18(2)14-20(13-17)24-23(19(3)16-30-27(35)29-8-11-33)21-15-22(36-25(21)31-24)28(4,5)26(34)32-9-6-7-10-32/h12-15,19,31,33H,6-11,16H2,1-5H3,(H2,29,30,35)/t19-/m1/s1
SMILES: Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNC(=O)N2CCC(c3ccncc3)C2)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][=Branch1][C][C][NH1][C][S][C][Branch2][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=Branch1][=C][C][=Ring1][P][C][=Ring2][Ring1][Ring2][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][O][=C][Ring2][Ring2][N]
InChI: InChI=1S/C37H45N5O2S/c1-22-16-23(2)18-27(17-22)33-32(24(3)20-39-36(44)41-15-12-26(21-41)25-10-13-38-14-11-25)30-19-31(45-34(30)40-33)37(4,5)35(43)42-28-6-7-29(42)9-8-28/h10-11,13-14,16-19,24,26,28-29,40H,6-9,12,15,20-21H2,1-5H3,(H,39,44)/t24-,26?,28?,29?/m1/s1
SMILES: Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNC(=O)N2CCC(c3ccncc3)CC2)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][=Branch1][Ring1][C][NH1][C][S][C][Branch2][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=Branch1][=C][C][=Ring1][P][C][=Ring2][Ring1][Ring2][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring2][=N]
InChI: InChI=1S/C38H47N5O2S/c1-23-18-24(2)20-28(19-23)34-33(25(3)22-40-37(45)42-16-12-27(13-17-42)26-10-14-39-15-11-26)31-21-32(46-35(31)41-34)38(4,5)36(44)43-29-6-7-30(43)9-8-29/h10-11,14-15,18-21,25,27,29-30,41H,6-9,12-13,16-17,22H2,1-5H3,(H,40,45)/t25-,29?,30?/m1/s1
SMILES: CO/N=C(/NC[C@@H](C)c1c(-c2cc(C)cc(C)c2)[nH]c2sc(C(C)(C)C(=O)N3C4CCC3CC4)cc12)N1CCC(c2ccncc2)C1
SELFIES: [C][O][/N][=C][Branch2][Branch1][=N][/N][C][C@@H1][Branch1][C][C][C][=C][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][NH1][C][S][C][Branch2][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=Branch1][=C][C][Ring2][Ring1][N][=Ring1][P][N][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][O]
InChI: InChI=1S/C38H48N6O2S/c1-23-17-24(2)19-28(18-23)34-33(25(3)21-40-37(42-46-6)43-16-13-27(22-43)26-11-14-39-15-12-26)31-20-32(47-35(31)41-34)38(4,5)36(45)44-29-7-8-30(44)10-9-29/h11-12,14-15,17-20,25,27,29-30,41H,7-10,13,16,21-22H2,1-6H3,(H,40,42)/t25-,27?,29?,30?/m1/s1
SMILES: O=c1cc(-c2ccc(Cl)cc2)c(O)nn1Cc1ccccc1
SELFIES: [O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][O][=N][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C17H13ClN2O2/c18-14-8-6-13(7-9-14)15-10-16(21)20(19-17(15)22)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,19,22)
SMILES: O=c1cc(-c2ccc(Cl)cc2)c(Cl)nn1Cc1ccccc1
SELFIES: [O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][=N][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C17H12Cl2N2O/c18-14-8-6-13(7-9-14)15-10-16(22)21(20-17(15)19)11-12-4-2-1-3-5-12/h1-10H,11H2
SMILES: O=c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nn1Cc1ccccc1
SELFIES: [O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][Ring2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C23H16Cl2N2O/c24-18-12-10-17(11-13-18)20-14-22(28)27(15-16-6-2-1-3-7-16)26-23(20)19-8-4-5-9-21(19)25/h1-14H,15H2
SMILES: O=c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n[nH]1
SELFIES: [O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][NH1][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H10Cl2N2O/c17-11-7-5-10(6-8-11)13-9-15(21)19-20-16(13)12-3-1-2-4-14(12)18/h1-9H,(H,19,21)
SMILES: Clc1ccc(-c2cc(Cl)nnc2-c2ccccc2Cl)cc1
SELFIES: [Cl][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H9Cl3N2/c17-11-7-5-10(6-8-11)13-9-15(19)20-21-16(13)12-3-1-2-4-14(12)18/h1-9H
SMILES: NNc1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nn1
SELFIES: [N][N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=N][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H12Cl2N4/c17-11-7-5-10(6-8-11)13-9-15(20-19)21-22-16(13)12-3-1-2-4-14(12)18/h1-9H,19H2,(H,20,21)
SMILES: O=c1n(Cc2ccc(C(F)(F)F)cc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12
SELFIES: [O][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][Ring2][Ring2][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C25H15Cl2F3N4O/c26-18-11-7-16(8-12-18)20-13-22-31-33(14-15-5-9-17(10-6-15)25(28,29)30)24(35)34(22)32-23(20)19-3-1-2-4-21(19)27/h1-13H,14H2
SMILES: O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12
SELFIES: [O][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][Ring2][Ring2][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C24H14Cl2F3N5O/c25-16-8-6-15(7-9-16)18-11-21-31-33(13-14-5-10-20(30-12-14)24(27,28)29)23(35)34(21)32-22(18)17-3-1-2-4-19(17)26/h1-12H,13H2
SMILES: O=c1n(CC(F)(F)F)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12
SELFIES: [O][=C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][Ring2][Ring1][N][Ring2][Ring1][Ring2]
InChI: InChI=1S/C19H11Cl2F3N4O/c20-12-7-5-11(6-8-12)14-9-16-25-27(10-19(22,23)24)18(29)28(16)26-17(14)13-3-1-2-4-15(13)21/h1-9H,10H2
SMILES: O=c1n(CCC(F)(F)F)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12
SELFIES: [O][=C][N][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][Ring2][Ring1][=N][Ring2][Ring1][Ring2]
InChI: InChI=1S/C20H13Cl2F3N4O/c21-13-7-5-12(6-8-13)15-11-17-26-28(10-9-20(23,24)25)19(30)29(17)27-18(15)14-3-1-2-4-16(14)22/h1-8,11H,9-10H2
SMILES: O=c1n(CCCC(F)(F)F)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12
SELFIES: [O][=C][N][Branch1][N][C][C][C][C][Branch1][C][F][Branch1][C][F][F][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][Ring2][Ring1][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C21H15Cl2F3N4O/c22-14-8-6-13(7-9-14)16-12-18-27-29(11-3-10-21(24,25)26)20(31)30(18)28-19(16)15-4-1-2-5-17(15)23/h1-2,4-9,12H,3,10-11H2
SMILES: O=c1cc(-c2ccc(Cl)cc2)c(=O)[nH][nH]1
SELFIES: [O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][NH1][Ring1][=C]
InChI: InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(14)12-13-10(8)15/h1-5H,(H,12,14)(H,13,15)
SMILES: Clc1ccc(-c2cc(Cl)nnc2Cl)cc1
SELFIES: [Cl][C][=C][C][=C][Branch1][=N][C][=C][C][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][Cl][C][=C][Ring1][=C]
InChI: InChI=1S/C10H5Cl3N2/c11-7-3-1-6(2-4-7)8-5-9(12)14-15-10(8)13/h1-5H
SMILES: NNc1cc(-c2ccc(Cl)cc2)c(Cl)nn1
SELFIES: [N][N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][Cl][N][=N][Ring1][=C]
InChI: InChI=1S/C10H8Cl2N4/c11-7-3-1-6(2-4-7)8-5-9(14-13)15-16-10(8)12/h1-5H,13H2,(H,14,15)
SMILES: O=c1[nH]nc2cc(-c3ccc(Cl)cc3)c(Cl)nn12
SELFIES: [O][=C][NH1][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][=N][N][Ring1][P][Ring1][=C]
InChI: InChI=1S/C11H6Cl2N4O/c12-7-3-1-6(2-4-7)8-5-9-14-15-11(18)17(9)16-10(8)13/h1-5H,(H,15,18)
SMILES: O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)c(Cl)nn12
SELFIES: [O][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][=N][N][Ring2][Ring1][N][Ring1][=C]
InChI: InChI=1S/C18H10Cl2F3N5O/c19-12-4-2-11(3-5-12)13-7-15-25-27(17(29)28(15)26-16(13)20)9-10-1-6-14(24-8-10)18(21,22)23/h1-8H,9H2
SMILES: O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3)nn12
SELFIES: [O][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][P][Ring2][Ring1][Ring1]
InChI: InChI=1S/C24H15ClF3N5O/c25-18-9-7-16(8-10-18)19-12-21-30-32(14-15-6-11-20(29-13-15)24(26,27)28)23(34)33(21)31-22(19)17-4-2-1-3-5-17/h1-13H,14H2
SMILES: O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)c(-c3cccnc3F)nn12
SELFIES: [O][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][F][=N][N][Ring2][Ring2][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C23H13ClF4N6O/c24-15-6-4-14(5-7-15)17-10-19-31-33(12-13-3-8-18(30-11-13)23(26,27)28)22(35)34(19)32-20(17)16-2-1-9-29-21(16)25/h1-11H,12H2
SMILES: O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nn12
SELFIES: [O][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H13Cl3F3N5O/c25-15-4-2-14(3-5-15)18-10-21-32-34(12-13-1-8-20(31-11-13)24(28,29)30)23(36)35(21)33-22(18)17-7-6-16(26)9-19(17)27/h1-11H,12H2
SMILES: O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3F)nn12
SELFIES: [O][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][Ring2][Ring2][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C24H14ClF4N5O/c25-16-8-6-15(7-9-16)18-11-21-31-33(13-14-5-10-20(30-12-14)24(27,28)29)23(35)34(21)32-22(18)17-3-1-2-4-19(17)26/h1-12H,13H2
SMILES: O=c1n(Cc2ccc(C(F)(F)F)cc2)nc2cc(-c3ccc(Cl)cc3)c(Cl)nn12
SELFIES: [O][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][=N][N][Ring2][Ring1][N][Ring1][=C]
InChI: InChI=1S/C19H11Cl2F3N4O/c20-14-7-3-12(4-8-14)15-9-16-25-27(18(29)28(16)26-17(15)21)10-11-1-5-13(6-2-11)19(22,23)24/h1-9H,10H2
SMILES: O=c1n(Cc2ccc(C(F)(F)F)cc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nn12
SELFIES: [O][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring2][Ring2][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C25H15Cl2F3N4O/c26-19-9-3-16(4-10-19)21-13-22-31-33(14-15-1-7-18(8-2-15)25(28,29)30)24(35)34(22)32-23(21)17-5-11-20(27)12-6-17/h1-13H,14H2
SMILES: COC(=O)C(=O)C1CCCCC1
SELFIES: [C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C9H14O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h7H,2-6H2,1H3
SMILES: O=C(O)/C(O)=C/c1ccc(C(F)(F)F)cc1
SELFIES: [O][=C][Branch1][C][O][/C][Branch1][C][O][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C10H7F3O3/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-5,14H,(H,15,16)/b8-5-
SMILES: N=C(NCCCCN1CCC(OCCO)CC1)NC(=O)c1nc(Cl)c(N)nc1N
SELFIES: [N][=C][Branch2][Ring1][Ring2][N][C][C][C][C][N][C][C][C][Branch1][Branch1][O][C][C][O][C][C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][N][N][=C][Ring1][Branch2][N]
InChI: InChI=1S/C17H29ClN8O3/c18-13-15(20)24-14(19)12(23-13)16(28)25-17(21)22-5-1-2-6-26-7-3-11(4-8-26)29-10-9-27/h11,27H,1-10H2,(H4,19,20,24)(H3,21,22,25,28)
SMILES: N=C(NCCCCC1CCC(OCC(O)CO)CC1)NC(=O)c1nc(Cl)c(N)nc1N
SELFIES: [N][=C][Branch2][Ring1][Branch2][N][C][C][C][C][C][C][C][C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][O][C][C][Ring1][N][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][N][N][=C][Ring1][Branch2][N]
InChI: InChI=1S/C19H32ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-2-1-3-11-4-6-13(7-5-11)31-10-12(29)9-28/h11-13,28-29H,1-10H2,(H4,21,22,26)(H3,23,24,27,30)
SMILES: N=C(NCCCCN1CCC(OCC(O)CN)CC1)NC(=O)c1nc(Cl)c(N)nc1N
SELFIES: [N][=C][Branch2][Ring1][Branch2][N][C][C][C][C][N][C][C][C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][N][C][C][Ring1][N][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][N][N][=C][Ring1][Branch2][N]
InChI: InChI=1S/C18H32ClN9O3/c19-14-16(22)26-15(21)13(25-14)17(30)27-18(23)24-5-1-2-6-28-7-3-12(4-8-28)31-10-11(29)9-20/h11-12,29H,1-10,20H2,(H4,21,22,26)(H3,23,24,27,30)
SMILES: CS(=O)(=O)N(C1CCC(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)S(C)(=O)=O
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][#Branch2][C][C][C][C][Branch2][Ring1][=C][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][N][N][=C][Ring1][Branch2][N][C][C][Ring2][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O]
InChI: InChI=1S/C18H31ClN8O5S2/c1-33(29,30)27(34(2,31)32)12-8-6-11(7-9-12)5-3-4-10-23-18(22)26-17(28)13-15(20)25-16(21)14(19)24-13/h11-12H,3-10H2,1-2H3,(H4,20,21,25)(H3,22,23,26,28)
SMILES: COC(=O)[C@@H](N)COC1CCN(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][O][C][C][C][N][Branch2][Ring1][=C][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][N][N][=C][Ring1][Branch2][N][C][C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C19H32ClN9O4/c1-32-18(31)12(21)10-33-11-4-8-29(9-5-11)7-3-2-6-25-19(24)28-17(30)13-15(22)27-16(23)14(20)26-13/h11-12H,2-10,21H2,1H3,(H4,22,23,27)(H3,24,25,28,30)/t12-/m0/s1
SMILES: C[C@@H]1OC[C@H]([C@@H](O)[C@H](O)[C@@H](O)CNCCOC2CCN(CCCCNC(=N)NC(=O)c3nc(Cl)c(N)nc3N)CC2)O1
SELFIES: [C][C@@H1][O][C][C@H1][Branch2][Branch1][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][N][C][C][O][C][C][C][N][Branch2][Ring1][=C][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][N][N][=C][Ring1][Branch2][N][C][C][Ring2][Ring1][=Branch2][O][Ring2][Ring2][=Branch2]
InChI: InChI=1S/C25H44ClN9O7/c1-14-41-13-17(42-14)20(38)19(37)16(36)12-30-7-11-40-15-4-9-35(10-5-15)8-3-2-6-31-25(29)34-24(39)18-22(27)33-23(28)21(26)32-18/h14-17,19-20,30,36-38H,2-13H2,1H3,(H4,27,28,33)(H3,29,31,34,39)/t14-,16+,17-,19-,20-/m1/s1
SMILES: CN(C)S(=O)(=O)CCCCN1CCC(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)CC1
SELFIES: [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][N][C][C][C][Branch2][Ring1][=C][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][N][N][=C][Ring1][Branch2][N][C][C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H38ClN9O3S/c1-30(2)35(33,34)14-6-5-11-31-12-8-15(9-13-31)7-3-4-10-26-21(25)29-20(32)16-18(23)28-19(24)17(22)27-16/h15H,3-14H2,1-2H3,(H4,23,24,28)(H3,25,26,29,32)
SMILES: CC(C)(C)OC(=O)/N=C(/NCCCN1CCN(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)NC(=O)OC(C)(C)C
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][/N][=C][Branch2][Ring2][=C][/N][C][C][C][N][C][C][N][Branch2][Ring1][=C][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][N][N][=C][Ring1][Branch2][N][C][C][Ring2][Ring1][=Branch2][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C28H49ClN12O5/c1-27(2,3)45-25(43)38-24(39-26(44)46-28(4,5)6)34-11-9-13-41-16-14-40(15-17-41)12-8-7-10-33-23(32)37-22(42)18-20(30)36-21(31)19(29)35-18/h7-17H2,1-6H3,(H4,30,31,36)(H3,32,33,37,42)(H2,34,38,39,43,44)
SMILES: CC(C)(C)OC(=O)NCCCN1CCC(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][Branch2][Ring1][=C][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][N][N][=C][Ring1][Branch2][N][C][C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C23H40ClN9O3/c1-23(2,3)36-22(35)29-11-6-12-33-13-8-15(9-14-33)7-4-5-10-28-21(27)32-20(34)16-18(25)31-19(26)17(24)30-16/h15H,4-14H2,1-3H3,(H,29,35)(H4,25,26,31)(H3,27,28,32,34)
SMILES: CC(C)(C)OC(=O)/N=C(/NCCCN1CCC(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)CC1)NC(=O)OC(C)(C)C
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][/N][=C][Branch2][Ring2][=C][/N][C][C][C][N][C][C][C][Branch2][Ring1][=C][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][N][N][=C][Ring1][Branch2][N][C][C][Ring2][Ring1][=Branch2][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C29H50ClN11O5/c1-28(2,3)45-26(43)39-25(40-27(44)46-29(4,5)6)35-14-9-15-41-16-11-18(12-17-41)10-7-8-13-34-24(33)38-23(42)19-21(31)37-22(32)20(30)36-19/h18H,7-17H2,1-6H3,(H4,31,32,37)(H3,33,34,38,42)(H2,35,39,40,43,44)
SMILES: Cc1nc(N)c(C(=O)NC(=N)NCCCCN2CCCC(OCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO[C@@H](C)O3)C2)nc1Cl
SELFIES: [C][C][=N][C][Branch1][C][N][=C][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=N][N][C][C][C][C][N][C][C][C][C][Branch2][Ring1][N][O][C][C][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][C][O][C@@H1][Branch1][C][C][O][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][N][=C][Ring2][Ring2][Branch2][Cl]
InChI: InChI=1S/C26H45ClN8O7/c1-15-23(27)33-20(24(28)32-15)25(39)34-26(29)31-7-3-4-9-35-10-5-6-17(13-35)40-11-8-30-12-18(36)21(37)22(38)19-14-41-16(2)42-19/h16-19,21-22,30,36-38H,3-14H2,1-2H3,(H2,28,32)(H3,29,31,34,39)/t16-,17?,18+,19-,21-,22-/m1/s1
SMILES: Cn1cnc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
SELFIES: [C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C16H12FN3O/c1-20-10-19-15(12-6-8-18-9-7-12)14(16(20)21)11-2-4-13(17)5-3-11/h2-10H,1H3
SMILES: Nc1cccc(-c2cc(=O)[nH]c(=O)n2-c2ccccc2)c1
SELFIES: [N][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H13N3O2/c17-12-6-4-5-11(9-12)14-10-15(20)18-16(21)19(14)13-7-2-1-3-8-13/h1-10H,17H2,(H,18,20,21)
SMILES: FC(F)(F)c1nc(Cl)c(-c2ccccc2)c(-c2ccccc2)n1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=N][C][Branch1][C][Cl][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1]
InChI: InChI=1S/C17H10ClF3N2/c18-15-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)22-16(23-15)17(19,20)21/h1-10H
SMILES: Cc1ccc(-c2nc(C(F)(F)F)nc(Cl)c2-c2ccccc2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][C][Cl][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C18H12ClF3N2/c1-11-7-9-13(10-8-11)15-14(12-5-3-2-4-6-12)16(19)24-17(23-15)18(20,21)22/h2-10H,1H3
SMILES: Fc1ccc(-c2nc(C(F)(F)F)nc(Cl)c2-c2ccccc2)cc1
SELFIES: [F][C][=C][C][=C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][C][Cl][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C17H9ClF4N2/c18-15-13(10-4-2-1-3-5-10)14(11-6-8-12(19)9-7-11)23-16(24-15)17(20,21)22/h1-9H
SMILES: CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(Cl)c2-c2ccccc2)cc1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][C][Cl][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C18H12ClF3N2O2S/c1-27(25,26)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)16(19)24-17(23-15)18(20,21)22/h2-10H,1H3