EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN(CCO)C1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [C][N][Branch1][Ring2][C][C][O][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C24H30N4O3S/c1-27(13-14-29)21-11-12-28(17-21)20-9-7-19(8-10-20)24-26-25-23(31-24)18-32-16-15-30-22-5-3-2-4-6-22/h2-10,21,29H,11-18H2,1H3
SMILES: CN(CCC(C)(C)O)C1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [C][N][Branch1][O][C][C][C][Branch1][C][C][Branch1][C][C][O][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C27H36N4O3S/c1-27(2,32)14-16-30(3)23-13-15-31(19-23)22-11-9-21(10-12-22)26-29-28-25(34-26)20-35-18-17-33-24-7-5-4-6-8-24/h4-12,23,32H,13-20H2,1-3H3
SMILES: c1ccc(OCCSCc2nnc(-c3ccc(N4CCC(N5CCC6(CC5)OCCO6)C4)cc3)o2)cc1
SELFIES: [C][=C][C][=C][Branch2][Branch1][=Branch1][O][C][C][S][C][C][=N][N][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][C][Branch1][P][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C28H34N4O4S/c1-2-4-25(5-3-1)33-18-19-37-21-26-29-30-27(36-26)22-6-8-23(9-7-22)32-13-10-24(20-32)31-14-11-28(12-15-31)34-16-17-35-28/h1-9,24H,10-21H2
SMILES: c1ccc(OCCSCc2nnc(-c3ccc(N4CCC(NC5CCOCC5)C4)cc3)o2)cc1
SELFIES: [C][=C][C][=C][Branch2][Ring2][#C][O][C][C][S][C][C][=N][N][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H32N4O3S/c1-2-4-24(5-3-1)32-16-17-34-19-25-28-29-26(33-25)20-6-8-23(9-7-20)30-13-10-22(18-30)27-21-11-14-31-15-12-21/h1-9,21-22,27H,10-19H2
SMILES: CC(=O)N1CCC(N(C)C2CCN(c3ccc(-c4nnc(CSCCOc5ccccc5)o4)cc3)C2)CC1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O][C][C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C29H37N5O3S/c1-22(35)33-15-12-24(13-16-33)32(2)26-14-17-34(20-26)25-10-8-23(9-11-25)29-31-30-28(37-29)21-38-19-18-36-27-6-4-3-5-7-27/h3-11,24,26H,12-21H2,1-2H3
SMILES: CC(=O)N(C1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1)C1CC(F)(F)C1
SELFIES: [C][C][=Branch1][C][=O][N][Branch2][Ring2][=C][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1]
InChI: InChI=1S/C27H30F2N4O3S/c1-19(34)33(23-15-27(28,29)16-23)22-11-12-32(17-22)21-9-7-20(8-10-21)26-31-30-25(36-26)18-37-14-13-35-24-5-3-2-4-6-24/h2-10,22-23H,11-18H2,1H3
SMILES: CC(O)CNC1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [C][C][Branch1][C][O][C][N][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C24H30N4O3S/c1-18(29)15-25-20-11-12-28(16-20)21-9-7-19(8-10-21)24-27-26-23(31-24)17-32-14-13-30-22-5-3-2-4-6-22/h2-10,18,20,25,29H,11-17H2,1H3
SMILES: OC1CCC(NC2CCN(c3ccc(-c4nnc(CSCCOc5ccccc5)o4)cc3)C2)CC1
SELFIES: [O][C][C][C][C][Branch2][Ring2][#C][N][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O][C][C][Ring2][Ring2][C]
InChI: InChI=1S/C27H34N4O3S/c32-24-12-8-21(9-13-24)28-22-14-15-31(18-22)23-10-6-20(7-11-23)27-30-29-26(34-27)19-35-17-16-33-25-4-2-1-3-5-25/h1-7,10-11,21-22,24,28,32H,8-9,12-19H2
SMILES: c1ccc(OCCSCc2nnc(-c3ccc(N4CCC(N5CCCOCC5)C4)cc3)o2)cc1
SELFIES: [C][=C][C][=C][Branch2][Ring2][#C][O][C][C][S][C][C][=N][N][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][#Branch1][C][Ring1][N][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H32N4O3S/c1-2-5-24(6-3-1)32-17-18-34-20-25-27-28-26(33-25)21-7-9-22(10-8-21)30-13-11-23(19-30)29-12-4-15-31-16-14-29/h1-3,5-10,23H,4,11-20H2
SMILES: NC(=O)C1CCN(C2CCN(c3ccc(-c4nnc(CSCCOc5ccccc5)o4)cc3)C2)CC1
SELFIES: [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring2][=C][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O][C][C][Ring2][Ring1][P]
InChI: InChI=1S/C27H33N5O3S/c28-26(33)20-10-13-31(14-11-20)23-12-15-32(18-23)22-8-6-21(7-9-22)27-30-29-25(35-27)19-36-17-16-34-24-4-2-1-3-5-24/h1-9,20,23H,10-19H2,(H2,28,33)
SMILES: CC(=O)NC1CCN(C2CCN(c3ccc(-c4nnc(CSCCOc5ccccc5)o4)cc3)C2)C1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring2][=C][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O][C][Ring2][Ring1][S]
InChI: InChI=1S/C27H33N5O3S/c1-20(33)28-22-11-13-31(17-22)24-12-14-32(18-24)23-9-7-21(8-10-23)27-30-29-26(35-27)19-36-16-15-34-25-5-3-2-4-6-25/h2-10,22,24H,11-19H2,1H3,(H,28,33)
SMILES: CN1CCCC(C(=O)N(C)C2CCN(c3ccc(-c4nnc(CSCCOc5ccccc5)o4)cc3)C2)C1
SELFIES: [C][N][C][C][C][C][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O][C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C29H37N5O3S/c1-32-15-6-7-23(19-32)29(35)33(2)25-14-16-34(20-25)24-12-10-22(11-13-24)28-31-30-27(37-28)21-38-18-17-36-26-8-4-3-5-9-26/h3-5,8-13,23,25H,6-7,14-21H2,1-2H3
SMILES: CN(C)CC(=O)N(C)C1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C26H33N5O3S/c1-29(2)18-25(32)30(3)22-13-14-31(17-22)21-11-9-20(10-12-21)26-28-27-24(34-26)19-35-16-15-33-23-7-5-4-6-8-23/h4-12,22H,13-19H2,1-3H3
SMILES: OCC(O)CNC1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [O][C][C][Branch1][C][O][C][N][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C24H30N4O4S/c29-16-21(30)14-25-19-10-11-28(15-19)20-8-6-18(7-9-20)24-27-26-23(32-24)17-33-13-12-31-22-4-2-1-3-5-22/h1-9,19,21,25,29-30H,10-17H2
SMILES: c1ccc(OCCSCc2nnc(-c3ccc(N4CCC(NCC5CC5)C4)cc3)o2)cc1
SELFIES: [C][=C][C][=C][Branch2][Ring2][O][O][C][C][S][C][C][=N][N][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][N][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][=C][Ring1][S][O][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C25H30N4O2S/c1-2-4-23(5-3-1)30-14-15-32-18-24-27-28-25(31-24)20-8-10-22(11-9-20)29-13-12-21(17-29)26-16-19-6-7-19/h1-5,8-11,19,21,26H,6-7,12-18H2
SMILES: COC(=O)C1(CCN(C)C2CCN(c3ccc(-c4nnc(CSCCOc5ccccc5)o4)cc3)C2)CCOCC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Branch1][Ring2][C][C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O][C][C][O][C][C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C31H40N4O5S/c1-34(17-13-31(30(36)37-2)14-18-38-19-15-31)26-12-16-35(22-26)25-10-8-24(9-11-25)29-33-32-28(40-29)23-41-21-20-39-27-6-4-3-5-7-27/h3-11,26H,12-23H2,1-2H3
SMILES: c1ccc(OCCSCc2nnc(-c3ccc(N4CCC(NCCCn5cnnc5)C4)cc3)o2)cc1
SELFIES: [C][=C][C][=C][Branch2][Ring2][P][O][C][C][S][C][C][=N][N][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][N][N][C][C][C][N][C][=N][N][=C][Ring1][Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C26H31N7O2S/c1-2-5-24(6-3-1)34-15-16-36-18-25-30-31-26(35-25)21-7-9-23(10-8-21)33-14-11-22(17-33)27-12-4-13-32-19-28-29-20-32/h1-3,5-10,19-20,22,27H,4,11-18H2
SMILES: COCCNC1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [C][O][C][C][N][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C24H30N4O3S/c1-29-14-12-25-20-11-13-28(17-20)21-9-7-19(8-10-21)24-27-26-23(31-24)18-32-16-15-30-22-5-3-2-4-6-22/h2-10,20,25H,11-18H2,1H3
SMILES: COCCN(C)C1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [C][O][C][C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C25H32N4O3S/c1-28(14-15-30-2)22-12-13-29(18-22)21-10-8-20(9-11-21)25-27-26-24(32-25)19-33-17-16-31-23-6-4-3-5-7-23/h3-11,22H,12-19H2,1-2H3
SMILES: c1ccc(OCCSCc2nnc(-c3ccc(N4CCC(NCC5CCCO5)C4)cc3)o2)cc1
SELFIES: [C][=C][C][=C][Branch2][Ring2][#C][O][C][C][S][C][C][=N][N][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][N][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H32N4O3S/c1-2-5-23(6-3-1)32-15-16-34-19-25-28-29-26(33-25)20-8-10-22(11-9-20)30-13-12-21(18-30)27-17-24-7-4-14-31-24/h1-3,5-6,8-11,21,24,27H,4,7,12-19H2
SMILES: OC1CCN(C2CCN(c3ccc(-c4nnc(CSCCOc5ccccc5)o4)cc3)C2)CC1
SELFIES: [O][C][C][C][N][Branch2][Ring2][=C][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O][C][C][Ring2][Ring1][P]
InChI: InChI=1S/C26H32N4O3S/c31-23-11-14-29(15-12-23)22-10-13-30(18-22)21-8-6-20(7-9-21)26-28-27-25(33-26)19-34-17-16-32-24-4-2-1-3-5-24/h1-9,22-23,31H,10-19H2
SMILES: CN(C1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1)C1CCS(=O)(=O)C1
SELFIES: [C][N][Branch2][Ring2][=C][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1]
InChI: InChI=1S/C26H32N4O4S2/c1-29(23-12-16-36(31,32)19-23)22-11-13-30(17-22)21-9-7-20(8-10-21)26-28-27-25(34-26)18-35-15-14-33-24-5-3-2-4-6-24/h2-10,22-23H,11-19H2,1H3
SMILES: CC(C)C(CO)NC1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [C][C][Branch1][C][C][C][Branch1][Ring1][C][O][N][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C26H34N4O3S/c1-19(2)24(17-31)27-21-12-13-30(16-21)22-10-8-20(9-11-22)26-29-28-25(33-26)18-34-15-14-32-23-6-4-3-5-7-23/h3-11,19,21,24,27,31H,12-18H2,1-2H3
SMILES: Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1N(C)Cc1cccc(C(=O)O)c1
SELFIES: [C][C][=C][C][Branch2][Ring1][=N][O][C][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]
InChI: InChI=1S/C29H28Cl2N2O4/c1-17(2)28-22(27(32-37-28)26-23(30)9-6-10-24(26)31)16-36-21-11-12-25(18(3)13-21)33(4)15-19-7-5-8-20(14-19)29(34)35/h5-14,17H,15-16H2,1-4H3,(H,34,35)
SMILES: COC(=O)c1ccc(CN(C)c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C(C)C)cc2C)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#C][C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2][C][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C30H30Cl2N2O4/c1-18(2)29-23(28(33-38-29)27-24(31)7-6-8-25(27)32)17-37-22-13-14-26(19(3)15-22)34(4)16-20-9-11-21(12-10-20)30(35)36-5/h6-15,18H,16-17H2,1-5H3
SMILES: CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(NCc2cccc(C(=O)O)c2)c(Cl)c1
SELFIES: [C][C][Branch1][C][C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][C]
InChI: InChI=1S/C27H23Cl3N2O4/c1-15(2)26-19(25(32-36-26)24-20(28)7-4-8-21(24)29)14-35-18-9-10-23(22(30)12-18)31-13-16-5-3-6-17(11-16)27(33)34/h3-12,15,31H,13-14H2,1-2H3,(H,33,34)
SMILES: Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1N(C)Cc1ccc(C(=O)O)o1
SELFIES: [C][C][=C][C][Branch2][Ring1][=N][O][C][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][Branch2]
InChI: InChI=1S/C27H26Cl2N2O5/c1-15(2)26-19(25(30-36-26)24-20(28)6-5-7-21(24)29)14-34-17-8-10-22(16(3)12-17)31(4)13-18-9-11-23(35-18)27(32)33/h5-12,15H,13-14H2,1-4H3,(H,32,33)
SMILES: Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1N(C)Cc1ccc(C(=O)O)cc1
SELFIES: [C][C][=C][C][Branch2][Ring1][=N][O][C][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C29H28Cl2N2O4/c1-17(2)28-22(27(32-37-28)26-23(30)6-5-7-24(26)31)16-36-21-12-13-25(18(3)14-21)33(4)15-19-8-10-20(11-9-19)29(34)35/h5-14,17H,15-16H2,1-4H3,(H,34,35)
SMILES: COC(=O)c1ccoc1CN(C)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2][C]
InChI: InChI=1S/C28H28Cl2N2O5/c1-16(2)27-20(26(31-37-27)25-21(29)7-6-8-22(25)30)15-36-18-9-10-23(17(3)13-18)32(4)14-24-19(11-12-35-24)28(33)34-5/h6-13,16H,14-15H2,1-5H3
SMILES: Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1N(C)Cc1ccc2nonc2c1
SELFIES: [C][C][=C][C][Branch2][Ring1][=N][O][C][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][N][Branch1][C][C][C][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2]
InChI: InChI=1S/C28H26Cl2N4O3/c1-16(2)28-20(27(33-36-28)26-21(29)6-5-7-22(26)30)15-35-19-9-11-25(17(3)12-19)34(4)14-18-8-10-23-24(13-18)32-37-31-23/h5-13,16H,14-15H2,1-4H3
SMILES: Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1N(C)Cc1ccc(-c2csnn2)cc1
SELFIES: [C][C][=C][C][Branch2][Ring1][=N][O][C][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O]
InChI: InChI=1S/C30H28Cl2N4O2S/c1-18(2)30-23(29(34-38-30)28-24(31)6-5-7-25(28)32)16-37-22-12-13-27(19(3)14-22)36(4)15-20-8-10-21(11-9-20)26-17-39-35-33-26/h5-14,17-18H,15-16H2,1-4H3
SMILES: Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1N(C)Cc1ccc(C#N)cc1
SELFIES: [C][C][=C][C][Branch2][Ring1][=N][O][C][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
InChI: InChI=1S/C29H27Cl2N3O2/c1-18(2)29-23(28(33-36-29)27-24(30)6-5-7-25(27)31)17-35-22-12-13-26(19(3)14-22)34(4)16-21-10-8-20(15-32)9-11-21/h5-14,18H,16-17H2,1-4H3
SMILES: Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1N(C)Cc1occc1C(=O)O
SELFIES: [C][C][=C][C][Branch2][Ring1][=N][O][C][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][N][Branch1][C][C][C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H26Cl2N2O5/c1-15(2)26-19(25(30-36-26)24-20(28)6-5-7-21(24)29)14-35-17-8-9-22(16(3)12-17)31(4)13-23-18(27(32)33)10-11-34-23/h5-12,15H,13-14H2,1-4H3,(H,32,33)
SMILES: Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1N(C)Cc1cccc(CO)c1
SELFIES: [C][C][=C][C][Branch2][Ring1][=N][O][C][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2]
InChI: InChI=1S/C29H30Cl2N2O3/c1-18(2)29-23(28(32-36-29)27-24(30)9-6-10-25(27)31)17-35-22-11-12-26(19(3)13-22)33(4)15-20-7-5-8-21(14-20)16-34/h5-14,18,34H,15-17H2,1-4H3
SMILES: Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1N(C)Cc1ccc(CO)cc1
SELFIES: [C][C][=C][C][Branch2][Ring1][=N][O][C][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2]
InChI: InChI=1S/C29H30Cl2N2O3/c1-18(2)29-23(28(32-36-29)27-24(30)6-5-7-25(27)31)17-35-22-12-13-26(19(3)14-22)33(4)15-20-8-10-21(16-34)11-9-20/h5-14,18,34H,15-17H2,1-4H3
SMILES: CCc1onc(Cc2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2cccc(C(=O)O)c2)c(C)c1
SELFIES: [C][C][C][O][N][=C][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C29H28Cl2N2O4/c1-4-28-23(26(32-37-28)15-22-24(30)9-6-10-25(22)31)17-36-21-11-12-27(18(2)13-21)33(3)16-19-7-5-8-20(14-19)29(34)35/h5-14H,4,15-17H2,1-3H3,(H,34,35)
SMILES: Cc1cc(OCc2c(-c3c(Cl)cc(Cl)cc3Cl)noc2C(C)C)ccc1N(C)Cc1cccc(C(=O)O)c1
SELFIES: [C][C][=C][C][Branch2][Ring1][S][O][C][C][C][Branch1][S][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][=N][O][C][=Ring1][=C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][=Branch2][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]
InChI: InChI=1S/C29H27Cl3N2O4/c1-16(2)28-22(27(33-38-28)26-23(31)12-20(30)13-24(26)32)15-37-21-8-9-25(17(3)10-21)34(4)14-18-6-5-7-19(11-18)29(35)36/h5-13,16H,14-15H2,1-4H3,(H,35,36)
SMILES: Cc1cc(OCc2c(Cc3c(Cl)cccc3Cl)noc2C(C)C)ccc1N(C)Cc1cccc(C(=O)O)c1
SELFIES: [C][C][=C][C][Branch2][Ring1][=C][O][C][C][C][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][=Branch2][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]
InChI: InChI=1S/C30H30Cl2N2O4/c1-18(2)29-24(27(33-38-29)15-23-25(31)9-6-10-26(23)32)17-37-22-11-12-28(19(3)13-22)34(4)16-20-7-5-8-21(14-20)30(35)36/h5-14,18H,15-17H2,1-4H3,(H,35,36)
SMILES: Cc1cc(OCc2c(Cc3ccccc3Cl)noc2C(C)C)ccc1N(C)Cc1cccc(C(=O)O)c1
SELFIES: [C][C][=C][C][Branch2][Ring1][O][O][C][C][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][C][=Ring1][=N][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]
InChI: InChI=1S/C30H31ClN2O4/c1-19(2)29-25(27(32-37-29)16-22-9-5-6-11-26(22)31)18-36-24-12-13-28(20(3)14-24)33(4)17-21-8-7-10-23(15-21)30(34)35/h5-15,19H,16-18H2,1-4H3,(H,34,35)
SMILES: Cc1cc(OCc2c(Cc3c(Cl)cccc3Cl)noc2C2CC2)ccc1N(C)Cc1cccc(C(=O)O)c1
SELFIES: [C][C][=C][C][Branch2][Ring1][=C][O][C][C][C][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=C][C][C][C][Ring1][Ring1][=C][C][=C][Ring2][Ring1][=Branch2][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]
InChI: InChI=1S/C30H28Cl2N2O4/c1-18-13-22(11-12-28(18)34(2)16-19-5-3-6-21(14-19)30(35)36)37-17-24-27(33-38-29(24)20-9-10-20)15-23-25(31)7-4-8-26(23)32/h3-8,11-14,20H,9-10,15-17H2,1-2H3,(H,35,36)
SMILES: Cc1cc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C(C)C)ccc1N(C)Cc1ccc(C(=O)O)o1
SELFIES: [C][C][=C][C][Branch2][Ring2][Ring1][O][C][C][C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][=N][O][C][=Ring1][S][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][Branch2]
InChI: InChI=1S/C28H27F3N2O6/c1-16(2)26-21(25(32-39-26)20-7-5-6-8-23(20)38-28(29,30)31)15-36-18-9-11-22(17(3)13-18)33(4)14-19-10-12-24(37-19)27(34)35/h5-13,16H,14-15H2,1-4H3,(H,34,35)
SMILES: Cc1cc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C(C)C)ccc1N(C)Cc1ccc(C(=O)O)cc1
SELFIES: [C][C][=C][C][Branch2][Ring2][Ring1][O][C][C][C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][=N][O][C][=Ring1][S][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C30H29F3N2O5/c1-18(2)28-24(27(34-40-28)23-7-5-6-8-26(23)39-30(31,32)33)17-38-22-13-14-25(19(3)15-22)35(4)16-20-9-11-21(12-10-20)29(36)37/h5-15,18H,16-17H2,1-4H3,(H,36,37)
SMILES: Cc1cc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C(C)C)ccc1N(C)Cc1cccc(C(=O)O)c1
SELFIES: [C][C][=C][C][Branch2][Ring2][Ring1][O][C][C][C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][=N][O][C][=Ring1][S][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][O][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]
InChI: InChI=1S/C30H29F3N2O5/c1-18(2)28-24(27(34-40-28)23-10-5-6-11-26(23)39-30(31,32)33)17-38-22-12-13-25(19(3)14-22)35(4)16-20-8-7-9-21(15-20)29(36)37/h5-15,18H,16-17H2,1-4H3,(H,36,37)
SMILES: COC(=O)c1ccc(CN(C)c2ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C(C)C)cc2C)o1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Branch1][C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C][C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][=N][O][C][=Ring1][S][C][Branch1][C][C][C][C][=C][Ring2][Ring1][O][C][O][Ring2][Ring2][Ring2]
InChI: InChI=1S/C29H29F3N2O6/c1-17(2)27-22(26(33-40-27)21-8-6-7-9-24(21)39-29(30,31)32)16-37-19-10-12-23(18(3)14-19)34(4)15-20-11-13-25(38-20)28(35)36-5/h6-14,17H,15-16H2,1-5H3
SMILES: COC(=O)c1ccc(CN(C)c2ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C(C)C)cc2C)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Branch1][C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C][C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][=N][O][C][=Ring1][S][C][Branch1][C][C][C][C][=C][Ring2][Ring1][O][C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C31H31F3N2O5/c1-19(2)29-25(28(35-41-29)24-8-6-7-9-27(24)40-31(32,33)34)18-39-23-14-15-26(20(3)16-23)36(4)17-21-10-12-22(13-11-21)30(37)38-5/h6-16,19H,17-18H2,1-5H3