EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)C(CN1CCc2[nH]ncc2C1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][#C][C][N][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C24H31N7O4/c1-35-22(32)21(15-29-9-8-20-17(13-29)12-25-28-20)27-23(33)30-10-6-18(7-11-30)31-14-16-4-2-3-5-19(16)26-24(31)34/h2-5,12,18,21H,6-11,13-15H2,1H3,(H,25,28)(H,26,34)(H,27,33)
SMILES: O=C(NC(CN1CCc2[nH]ncc2C1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=Branch2][N][C][Branch1][#C][C][N][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C33H47N9O3/c43-31(40-16-8-26(9-17-40)39-13-4-1-5-14-39)30(23-38-15-12-29-25(21-38)20-34-37-29)36-32(44)41-18-10-27(11-19-41)42-22-24-6-2-3-7-28(24)35-33(42)45/h2-3,6-7,20,26-27,30H,1,4-5,8-19,21-23H2,(H,34,37)(H,35,45)(H,36,44)
SMILES: COC(=O)C(CN1Cc2cn[nH]c2C(C)(C)C1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][N][C][C][C][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C26H35N7O4/c1-26(2)16-31(13-18-12-27-30-22(18)26)15-21(23(34)37-3)29-24(35)32-10-8-19(9-11-32)33-14-17-6-4-5-7-20(17)28-25(33)36/h4-7,12,19,21H,8-11,13-16H2,1-3H3,(H,27,30)(H,28,36)(H,29,35)
SMILES: CC1(C)CN(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)Cc2cn[nH]c21
SELFIES: [C][C][Branch1][C][C][C][N][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][C][=N][NH1][C][=Ring1][Branch1][Ring2][Ring2][=C]
InChI: InChI=1S/C35H51N9O3/c1-35(2)24-40(21-26-20-36-39-31(26)35)23-30(32(45)42-16-10-27(11-17-42)41-14-6-3-7-15-41)38-33(46)43-18-12-28(13-19-43)44-22-25-8-4-5-9-29(25)37-34(44)47/h4-5,8-9,20,27-28,30H,3,6-7,10-19,21-24H2,1-2H3,(H,36,39)(H,37,47)(H,38,46)
SMILES: COC(=O)C(N)Cc1ccc(OC)nc1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2]
InChI: InChI=1S/C10H14N2O3/c1-14-9-4-3-7(6-12-9)5-8(11)10(13)15-2/h3-4,6,8H,5,11H2,1-2H3
SMILES: COC(=O)C(Cc1ccc(OC)nc1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C24H29N5O5/c1-33-21-8-7-16(14-25-21)13-20(22(30)34-2)27-23(31)28-11-9-18(10-12-28)29-15-17-5-3-4-6-19(17)26-24(29)32/h3-8,14,18,20H,9-13,15H2,1-2H3,(H,26,32)(H,27,31)
SMILES: COc1ccc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cn1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=N][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C33H45N7O4/c1-44-30-10-9-24(22-34-30)21-29(31(41)38-17-11-26(12-18-38)37-15-5-2-6-16-37)36-32(42)39-19-13-27(14-20-39)40-23-25-7-3-4-8-28(25)35-33(40)43/h3-4,7-10,22,26-27,29H,2,5-6,11-21,23H2,1H3,(H,35,43)(H,36,42)
SMILES: COC(=O)C(N)Cc1cnc(OC)nc1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][N][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2]
InChI: InChI=1S/C9H13N3O3/c1-14-8(13)7(10)3-6-4-11-9(15-2)12-5-6/h4-5,7H,3,10H2,1-2H3
SMILES: COC(=O)C(Cc1cnc(OC)nc1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][=C][C][C][=C][N][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C23H28N6O5/c1-33-20(30)19(11-15-12-24-21(34-2)25-13-15)27-22(31)28-9-7-17(8-10-28)29-14-16-5-3-4-6-18(16)26-23(29)32/h3-6,12-13,17,19H,7-11,14H2,1-2H3,(H,26,32)(H,27,31)
SMILES: COc1ncc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cn1
SELFIES: [C][O][C][=N][C][=C][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=N][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C32H44N8O4/c1-44-30-33-20-23(21-34-30)19-28(29(41)38-15-9-25(10-16-38)37-13-5-2-6-14-37)36-31(42)39-17-11-26(12-18-39)40-22-24-7-3-4-8-27(24)35-32(40)43/h3-4,7-8,20-21,25-26,28H,2,5-6,9-19,22H2,1H3,(H,35,43)(H,36,42)
SMILES: Brc1ccc(OCc2ccccc2)nc1
SELFIES: [Br][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C]
InChI: InChI=1S/C12H10BrNO/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
SMILES: O=Cc1ccc(OCc2ccccc2)nc1
SELFIES: [O][=C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C]
InChI: InChI=1S/C13H11NO2/c15-9-12-6-7-13(14-8-12)16-10-11-4-2-1-3-5-11/h1-9H,10H2
SMILES: COC(=O)/C(=C/c1ccc(OCc2ccccc2)nc1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch1][=C][/C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C24H22N2O5/c1-29-23(27)21(26-24(28)31-17-19-10-6-3-7-11-19)14-20-12-13-22(25-15-20)30-16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,26,28)/b21-14-
SMILES: COC(=O)C(Cc1ccc(OCc2ccccc2)nc1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C24H24N2O5/c1-29-23(27)21(26-24(28)31-17-19-10-6-3-7-11-19)14-20-12-13-22(25-15-20)30-16-18-8-4-2-5-9-18/h2-13,15,21H,14,16-17H2,1H3,(H,26,28)
SMILES: COC(=O)C(N)Cc1ccc(OCc2ccccc2)nc1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C]
InChI: InChI=1S/C16H18N2O3/c1-20-16(19)14(17)9-13-7-8-15(18-10-13)21-11-12-5-3-2-4-6-12/h2-8,10,14H,9,11,17H2,1H3
SMILES: COC(=O)C(Cc1ccc(OCc2ccccc2)nc1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C30H33N5O5/c1-39-28(36)26(17-22-11-12-27(31-18-22)40-20-21-7-3-2-4-8-21)33-29(37)34-15-13-24(14-16-34)35-19-23-9-5-6-10-25(23)32-30(35)38/h2-12,18,24,26H,13-17,19-20H2,1H3,(H,32,38)(H,33,37)
SMILES: O=C(NC(Cc1ccc(OCc2ccccc2)nc1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][P][N][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C39H49N7O4/c47-37(44-21-15-32(16-22-44)43-19-7-2-8-20-43)35(25-30-13-14-36(40-26-30)50-28-29-9-3-1-4-10-29)42-38(48)45-23-17-33(18-24-45)46-27-31-11-5-6-12-34(31)41-39(46)49/h1,3-6,9-14,26,32-33,35H,2,7-8,15-25,27-28H2,(H,41,49)(H,42,48)
SMILES: O=C(NC(Cc1ccc(=O)[nH]c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][#Branch1][N][C][Branch1][=N][C][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C32H43N7O4/c40-29-9-8-23(21-33-29)20-28(30(41)37-16-10-25(11-17-37)36-14-4-1-5-15-36)35-31(42)38-18-12-26(13-19-38)39-22-24-6-2-3-7-27(24)34-32(39)43/h2-3,6-9,21,25-26,28H,1,4-5,10-20,22H2,(H,33,40)(H,34,43)(H,35,42)
SMILES: CCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N]
InChI: InChI=1S/C13H23NO4/c1-5-17-11(15)10-6-8-14(9-7-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
SMILES: CCOC(=O)C1(Cc2ccccc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H28N2O6/c1-5-27-17(23)20(14-15-8-6-7-9-16(15)22(25)26)10-12-21(13-11-20)18(24)28-19(2,3)4/h6-9H,5,10-14H2,1-4H3
SMILES: CCOC(=O)C1(Cc2ccccc2N)CCN(C(=O)OC(C)(C)C)CC1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C20H30N2O4/c1-5-25-17(23)20(14-15-8-6-7-9-16(15)21)10-12-22(13-11-20)18(24)26-19(2,3)4/h6-9H,5,10-14,21H2,1-4H3
SMILES: CCOC(=O)C1(Cc2ccccc2N)CCN(Cl)CC1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][C][Cl][C][C][Ring1][#C]
InChI: InChI=1S/C15H21ClN2O2/c1-2-20-14(19)15(7-9-18(16)10-8-15)11-12-5-3-4-6-13(12)17/h3-6H,2,7-11,17H2,1H3
SMILES: O=C1Nc2ccccc2CC12CCNCC2
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][C][N][C][C][Ring1][=Branch1]
InChI: InChI=1S/C13H16N2O/c16-12-13(5-7-14-8-6-13)9-10-3-1-2-4-11(10)15-12/h1-4,14H,5-9H2,(H,15,16)
SMILES: N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(N2CCCCC2)CC1
SELFIES: [N][C@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
InChI: InChI=1S/C21H29N3OS/c22-19(14-16-15-26-20-7-3-2-6-18(16)20)21(25)24-12-8-17(9-13-24)23-10-4-1-5-11-23/h2-3,6-7,15,17,19H,1,4-5,8-14,22H2/t19-/m1/s1
SMILES: O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC2(CC1)Cc1ccccc1NC2=O
SELFIES: [O][=C][Branch2][Ring2][=Branch2][N][C@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][N][=O]
InChI: InChI=1S/C35H43N5O3S/c41-32(39-18-12-27(13-19-39)38-16-6-1-7-17-38)30(22-26-24-44-31-11-5-3-9-28(26)31)37-34(43)40-20-14-35(15-21-40)23-25-8-2-4-10-29(25)36-33(35)42/h2-5,8-11,24,27,30H,1,6-7,12-23H2,(H,36,42)(H,37,43)/t30-/m1/s1
SMILES: O=C1CC2(CCN(C(=O)N[C@H](Cc3csc4ccccc34)C(=O)N3CCC(N4CCCCC4)CC3)CC2)c2ccccc2N1
SELFIES: [O][=C][C][C][Branch2][Branch1][Branch2][C][C][N][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring2][O]
InChI: InChI=1S/C35H43N5O3S/c41-32-23-35(28-9-3-4-10-29(28)36-32)14-20-40(21-15-35)34(43)37-30(22-25-24-44-31-11-5-2-8-27(25)31)33(42)39-18-12-26(13-19-39)38-16-6-1-7-17-38/h2-5,8-11,24,26,30H,1,6-7,12-23H2,(H,36,41)(H,37,43)/t30-/m1/s1
SMILES: O=C1NCC2(CCN(C(=O)N[C@H](Cc3csc4ccccc34)C(=O)N3CCC(N4CCCCC4)CC3)CC2)c2ccccc21
SELFIES: [O][=C][N][C][C][Branch2][Branch1][Branch2][C][C][N][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][O]
InChI: InChI=1S/C35H43N5O3S/c41-32-28-9-2-4-10-29(28)35(24-36-32)14-20-40(21-15-35)34(43)37-30(22-25-23-44-31-11-5-3-8-27(25)31)33(42)39-18-12-26(13-19-39)38-16-6-1-7-17-38/h2-5,8-11,23,26,30H,1,6-7,12-22,24H2,(H,36,41)(H,37,43)/t30-/m1/s1
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)N[C@H](Cc3csc4ccccc34)C(=O)N3CCC(N4CCCCC4)CC3)CC2)O1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][Branch2][C][C][N][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring2][C][O][Ring2][Ring2][O]
InChI: InChI=1S/C34H41N5O4S/c40-31(38-18-12-25(13-19-38)37-16-6-1-7-17-37)29(22-24-23-44-30-11-5-2-8-26(24)30)35-32(41)39-20-14-34(15-21-39)27-9-3-4-10-28(27)36-33(42)43-34/h2-5,8-11,23,25,29H,1,6-7,12-22H2,(H,35,41)(H,36,42)/t29-/m1/s1
SMILES: O=C(O)/C=C/c1csc2ccccc12
SELFIES: [O][=C][Branch1][C][O][/C][=C][/C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
InChI: InChI=1S/C11H8O2S/c12-11(13)6-5-8-7-14-10-4-2-1-3-9(8)10/h1-7H,(H,12,13)/b6-5+
SMILES: O=C(O)CCc1csc2ccccc12
SELFIES: [O][=C][Branch1][C][O][C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
InChI: InChI=1S/C11H10O2S/c12-11(13)6-5-8-7-14-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H,12,13)
SMILES: O=C(CCc1csc2ccccc12)N1C(=O)OC[C@H]1Cc1ccccc1
SELFIES: [O][=C][Branch1][S][C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C21H19NO3S/c23-20(11-10-16-14-26-19-9-5-4-8-18(16)19)22-17(13-25-21(22)24)12-15-6-2-1-3-7-15/h1-9,14,17H,10-13H2/t17-/m1/s1
SMILES: CC(C)(C)OC(=O)C[C@H](Cc1csc2ccccc12)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C27H29NO5S/c1-27(2,3)33-24(29)15-19(14-20-17-34-23-12-8-7-11-22(20)23)25(30)28-21(16-32-26(28)31)13-18-9-5-4-6-10-18/h4-12,17,19,21H,13-16H2,1-3H3/t19-,21+/m0/s1
SMILES: CC(C)(C)OC(=O)C[C@H](Cc1csc2ccccc12)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C17H20O4S/c1-17(2,3)21-15(18)9-11(16(19)20)8-12-10-22-14-7-5-4-6-13(12)14/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)/t11-/m0/s1
SMILES: CC(C)(C)OC(=O)C[C@H](Cc1csc2ccccc12)C(=O)N1CCC(N2CCCCC2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
InChI: InChI=1S/C27H38N2O3S/c1-27(2,3)32-25(30)18-20(17-21-19-33-24-10-6-5-9-23(21)24)26(31)29-15-11-22(12-16-29)28-13-7-4-8-14-28/h5-6,9-10,19-20,22H,4,7-8,11-18H2,1-3H3/t20-/m0/s1
SMILES: O=C(O)C[C@H](Cc1csc2ccccc12)C(=O)N1CCC(N2CCCCC2)CC1
SELFIES: [O][=C][Branch1][C][O][C][C@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
InChI: InChI=1S/C23H30N2O3S/c26-22(27)15-17(14-18-16-29-21-7-3-2-6-20(18)21)23(28)25-12-8-19(9-13-25)24-10-4-1-5-11-24/h2-3,6-7,16-17,19H,1,4-5,8-15H2,(H,26,27)/t17-/m0/s1
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)C[C@H](Cc3csc4ccccc34)C(=O)N3CCC(N4CCCCC4)CC3)CC2)O1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][Branch2][C][C][N][Branch2][Ring2][=N][C][=Branch1][C][=O][C][C@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring2][C][O][Ring2][Ring2][O]
InChI: InChI=1S/C35H42N4O4S/c40-32(38-20-14-35(15-21-38)29-9-3-4-10-30(29)36-34(42)43-35)23-25(22-26-24-44-31-11-5-2-8-28(26)31)33(41)39-18-12-27(13-19-39)37-16-6-1-7-17-37/h2-5,8-11,24-25,27H,1,6-7,12-23H2,(H,36,42)/t25-/m0/s1
SMILES: COC(=O)C(=Cc1cc(C)c2[nH]ncc2c1)CC(=O)O
SELFIES: [C][O][C][=Branch1][C][=O][C][=Branch2][Ring1][C][=C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C14H14N2O4/c1-8-3-9(5-11-7-15-16-13(8)11)4-10(6-12(17)18)14(19)20-2/h3-5,7H,6H2,1-2H3,(H,15,16)(H,17,18)
SMILES: COC(=O)C(CC(=O)O)Cc1cc(C)c2[nH]ncc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C14H16N2O4/c1-8-3-9(5-11-7-15-16-13(8)11)4-10(6-12(17)18)14(19)20-2/h3,5,7,10H,4,6H2,1-2H3,(H,15,16)(H,17,18)
SMILES: COC(=O)C(CC(=O)N1CCC2(CC1)OC(=O)Nc1ccccc12)Cc1cc(C)c2[nH]ncc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C26H28N4O5/c1-16-11-17(13-19-15-27-29-23(16)19)12-18(24(32)34-2)14-22(31)30-9-7-26(8-10-30)20-5-3-4-6-21(20)28-25(33)35-26/h3-6,11,13,15,18H,7-10,12,14H2,1-2H3,(H,27,29)(H,28,33)
SMILES: COC(=O)C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1cc(C)c2[nH]ncc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C27H31N5O4/c1-17-11-18(13-21-15-28-30-25(17)21)12-20(26(34)36-2)14-24(33)31-9-7-22(8-10-31)32-16-19-5-3-4-6-23(19)29-27(32)35/h3-6,11,13,15,20,22H,7-10,12,14,16H2,1-2H3,(H,28,30)(H,29,35)
SMILES: Cc1cc(CC(CC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)O)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][#Branch2][C][C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][O][=C][C][C][=N][NH1][C][Ring2][Ring1][P][=Ring1][Branch1]
InChI: InChI=1S/C25H26N4O5/c1-15-10-16(12-18-14-26-28-22(15)18)11-17(23(31)32)13-21(30)29-8-6-25(7-9-29)19-4-2-3-5-20(19)27-24(33)34-25/h2-5,10,12,14,17H,6-9,11,13H2,1H3,(H,26,28)(H,27,33)(H,31,32)
SMILES: Cc1cc(CC(CC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][O][C][C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][N][=Ring1][Branch1]
InChI: InChI=1S/C35H44N6O4/c1-24-19-25(21-27-23-36-38-32(24)27)20-26(33(43)41-15-9-28(10-16-41)39-13-5-2-6-14-39)22-31(42)40-17-11-35(12-18-40)29-7-3-4-8-30(29)37-34(44)45-35/h3-4,7-8,19,21,23,26,28H,2,5-6,9-18,20,22H2,1H3,(H,36,38)(H,37,44)
SMILES: Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=N][=Ring1][Branch1]
InChI: InChI=1S/C36H47N7O3/c1-25-19-26(21-29-23-37-39-34(25)29)20-28(35(45)42-17-9-30(10-18-42)40-13-5-2-6-14-40)22-33(44)41-15-11-31(12-16-41)43-24-27-7-3-4-8-32(27)38-36(43)46/h3-4,7-8,19,21,23,28,30-31H,2,5-6,9-18,20,22,24H2,1H3,(H,37,39)(H,38,46)
SMILES: Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC3(CC2)OCCO3)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][Branch2][C][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][O][=Ring1][Branch1]
InChI: InChI=1S/C33H40N6O5/c1-22-16-23(18-26-20-34-36-30(22)26)17-25(31(41)38-12-8-33(9-13-38)43-14-15-44-33)19-29(40)37-10-6-27(7-11-37)39-21-24-4-2-3-5-28(24)35-32(39)42/h2-5,16,18,20,25,27H,6-15,17,19,21H2,1H3,(H,34,36)(H,35,42)
SMILES: Cc1cc(CC(CC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCC3(CC2)OCCO3)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][=Branch2][C][C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][#Branch2][=Ring1][Branch1]
InChI: InChI=1S/C32H37N5O6/c1-21-16-22(18-24-20-33-35-28(21)24)17-23(29(39)37-12-8-32(9-13-37)41-14-15-42-32)19-27(38)36-10-6-31(7-11-36)25-4-2-3-5-26(25)34-30(40)43-31/h2-5,16,18,20,23H,6-15,17,19H2,1H3,(H,33,35)(H,34,40)
SMILES: Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N(C)C)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][=N][C][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][C][=N][NH1][C][Ring2][Ring2][Ring2][=Ring1][Branch1]
InChI: InChI=1S/C28H34N6O3/c1-18-12-19(14-22-16-29-31-26(18)22)13-21(27(36)32(2)3)15-25(35)33-10-8-23(9-11-33)34-17-20-6-4-5-7-24(20)30-28(34)37/h4-7,12,14,16,21,23H,8-11,13,15,17H2,1-3H3,(H,29,31)(H,30,37)
SMILES: Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CC(C)OC(C)C2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][=Branch1][C][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][C][C][=N][NH1][C][Ring2][Ring2][=Branch2][=Ring1][Branch1]
InChI: InChI=1S/C32H40N6O4/c1-20-12-23(14-26-16-33-35-30(20)26)13-25(31(40)37-17-21(2)42-22(3)18-37)15-29(39)36-10-8-27(9-11-36)38-19-24-6-4-5-7-28(24)34-32(38)41/h4-7,12,14,16,21-22,25,27H,8-11,13,15,17-19H2,1-3H3,(H,33,35)(H,34,41)
SMILES: Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(C)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][Ring1][C][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][Branch2][=Ring1][Branch1]
InChI: InChI=1S/C32H40N6O3/c1-21-7-11-37(12-8-21)31(40)25(16-23-15-22(2)30-26(17-23)19-33-35-30)18-29(39)36-13-9-27(10-14-36)38-20-24-5-3-4-6-28(24)34-32(38)41/h3-6,15,17,19,21,25,27H,7-14,16,18,20H2,1-2H3,(H,33,35)(H,34,41)