EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COc1ccccc1-c1nc2ccccc2c(Nc2ccncc2)c1F
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][P][F]
InChI: InChI=1S/C21H16FN3O/c1-26-18-9-5-3-7-16(18)21-19(22)20(24-14-10-12-23-13-11-14)15-6-2-4-8-17(15)25-21/h2-13H,1H3,(H,23,24,25)
SMILES: CNc1ccc2nc(-c3ccccc3F)c(F)c(Nc3ccncc3)c2c1
SELFIES: [C][N][C][=C][C][=C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][F][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H16F2N4/c1-24-14-6-7-18-16(12-14)21(26-13-8-10-25-11-9-13)19(23)20(27-18)15-4-2-3-5-17(15)22/h2-12,24H,1H3,(H,25,26,27)
SMILES: CNc1ccc2nc(-c3ccc4c(c3)OCO4)c(F)c(Nc3ccncc3)c2c1
SELFIES: [C][N][C][=C][C][=C][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][F][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
InChI: InChI=1S/C22H17FN4O2/c1-24-15-3-4-17-16(11-15)22(26-14-6-8-25-9-7-14)20(23)21(27-17)13-2-5-18-19(10-13)29-12-28-18/h2-11,24H,12H2,1H3,(H,25,26,27)
SMILES: COCCNc1ccc2nc(-c3ccccc3F)c(F)c(Nc3ccncc3)c2c1
SELFIES: [C][O][C][C][N][C][=C][C][=C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][F][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C23H20F2N4O/c1-30-13-12-27-16-6-7-20-18(14-16)23(28-15-8-10-26-11-9-15)21(25)22(29-20)17-4-2-3-5-19(17)24/h2-11,14,27H,12-13H2,1H3,(H,26,28,29)
SMILES: COCCNc1ccc2nc(-c3ccc4c(c3)OCO4)c(F)c(Nc3ccncc3)c2c1
SELFIES: [C][O][C][C][N][C][=C][C][=C][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][F][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
InChI: InChI=1S/C24H21FN4O3/c1-30-11-10-27-17-3-4-19-18(13-17)24(28-16-6-8-26-9-7-16)22(25)23(29-19)15-2-5-20-21(12-15)32-14-31-20/h2-9,12-13,27H,10-11,14H2,1H3,(H,26,28,29)
SMILES: NC(=O)c1cccc(-c2ccc3nc(-c4ccccc4F)c(F)c(Nc4ccncc4)c3c2)c1
SELFIES: [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][=C][C][=C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][F][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C27H18F2N4O/c28-22-7-2-1-6-20(22)25-24(29)26(32-19-10-12-31-13-11-19)21-15-17(8-9-23(21)33-25)16-4-3-5-18(14-16)27(30)34/h1-15H,(H2,30,34)(H,31,32,33)
SMILES: Fc1c(-c2ccc3c(c2)OCO3)nc2cc(Br)ccc2c1Nc1ccncc1
SELFIES: [F][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][N][C][=C][C][=N][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C21H13BrFN3O2/c22-13-2-3-15-16(10-13)26-20(12-1-4-17-18(9-12)28-11-27-17)19(23)21(15)25-14-5-7-24-8-6-14/h1-10H,11H2,(H,24,25,26)
SMILES: COc1ccc2c(Nc3ccncc3)c(F)c(-c3ccccc3F)nc2c1
SELFIES: [C][O][C][=C][C][=C][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][C][F][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H15F2N3O/c1-27-14-6-7-16-18(12-14)26-20(15-4-2-3-5-17(15)22)19(23)21(16)25-13-8-10-24-11-9-13/h2-12H,1H3,(H,24,25,26)
SMILES: CNc1ccc2c(Nc3ccncc3)c(F)c(-c3ccc4c(c3)OCO4)nc2c1
SELFIES: [C][N][C][=C][C][=C][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][C][F][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
InChI: InChI=1S/C22H17FN4O2/c1-24-15-3-4-16-17(11-15)27-21(13-2-5-18-19(10-13)29-12-28-18)20(23)22(16)26-14-6-8-25-9-7-14/h2-11,24H,12H2,1H3,(H,25,26,27)
SMILES: CNc1ccc2c(Nc3ccncc3)c(F)c(-c3ccccc3F)nc2c1
SELFIES: [C][N][C][=C][C][=C][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][C][F][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H16F2N4/c1-24-14-6-7-16-18(12-14)27-20(15-4-2-3-5-17(15)22)19(23)21(16)26-13-8-10-25-11-9-13/h2-12,24H,1H3,(H,25,26,27)
SMILES: CNCCNc1ccc2c(Nc3ccncc3)c(F)c(-c3ccc4c(c3)OCO4)nc2c1
SELFIES: [C][N][C][C][N][C][=C][C][=C][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][C][F][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
InChI: InChI=1S/C24H22FN5O2/c1-26-10-11-28-17-3-4-18-19(13-17)30-23(15-2-5-20-21(12-15)32-14-31-20)22(25)24(18)29-16-6-8-27-9-7-16/h2-9,12-13,26,28H,10-11,14H2,1H3,(H,27,29,30)
SMILES: COc1ccc2c(Nc3ccncc3)c(F)c(-c3ccc4c(c3)OCO4)nc2c1
SELFIES: [C][O][C][=C][C][=C][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][C][F][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
InChI: InChI=1S/C22H16FN3O3/c1-27-15-3-4-16-17(11-15)26-21(13-2-5-18-19(10-13)29-12-28-18)20(23)22(16)25-14-6-8-24-9-7-14/h2-11H,12H2,1H3,(H,24,25,26)
SMILES: Fc1c(-c2ccc(Cl)s2)nc2ccccc2c1Nc1ccncc1
SELFIES: [F][C][=C][Branch1][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][S][N][C][=C][C][=N][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C18H11ClFN3S/c19-15-6-5-14(24-15)18-16(20)17(22-11-7-9-21-10-8-11)12-3-1-2-4-13(12)23-18/h1-10H,(H,21,22,23)
SMILES: Fc1c(-c2ccc(Cl)o2)nc2ccccc2c1Nc1ccncc1
SELFIES: [F][C][=C][Branch1][O][C][=C][C][=C][Branch1][C][Cl][O][Ring1][=Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][S][N][C][=C][C][=N][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C18H11ClFN3O/c19-15-6-5-14(24-15)18-16(20)17(22-11-7-9-21-10-8-11)12-3-1-2-4-13(12)23-18/h1-10H,(H,21,22,23)
SMILES: Cc1ccc(-c2nc3ccccc3c(Nc3ccncc3)c2F)s1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][P][F][S][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H14FN3S/c1-12-6-7-16(24-12)19-17(20)18(22-13-8-10-21-11-9-13)14-4-2-3-5-15(14)23-19/h2-11H,1H3,(H,21,22,23)
SMILES: Cc1ccc(-c2nc3ccccc3c(Nc3ccncc3)c2F)o1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][P][F][O][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H14FN3O/c1-12-6-7-16(24-12)19-17(20)18(22-13-8-10-21-11-9-13)14-4-2-3-5-15(14)23-19/h2-11H,1H3,(H,21,22,23)
SMILES: Cc1csc(-c2nc3ccccc3c(Nc3ccncc3)c2F)c1
SELFIES: [C][C][=C][S][C][Branch2][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][P][F][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H14FN3S/c1-12-10-16(24-11-12)19-17(20)18(22-13-6-8-21-9-7-13)14-4-2-3-5-15(14)23-19/h2-11H,1H3,(H,21,22,23)
SMILES: Fc1c(-c2ccc3c(c2)CCO3)nc2ccccc2c1Nc1ccncc1
SELFIES: [F][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C22H16FN3O/c23-20-21(15-5-6-19-14(13-15)9-12-27-19)26-18-4-2-1-3-17(18)22(20)25-16-7-10-24-11-8-16/h1-8,10-11,13H,9,12H2,(H,24,25,26)
SMILES: Fc1c(-c2cccc(Br)c2)nc2ccccc2c1Nc1ccncc1
SELFIES: [F][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P][N][C][=C][C][=N][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C20H13BrFN3/c21-14-5-3-4-13(12-14)19-18(22)20(24-15-8-10-23-11-9-15)16-6-1-2-7-17(16)25-19/h1-12H,(H,23,24,25)
SMILES: Cc1ccc(-c2nc3ccccc3c(Nc3ccnc(Cl)c3)c2F)o1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][F][O][Ring2][Ring1][Branch2]
InChI: InChI=1S/C19H13ClFN3O/c1-11-6-7-15(25-11)19-17(21)18(13-4-2-3-5-14(13)24-19)23-12-8-9-22-16(20)10-12/h2-10H,1H3,(H,22,23,24)
SMILES: Fc1c(-c2ccc(Cl)s2)nc2ccccc2c1Nc1ccnc(Cl)c1
SELFIES: [F][C][=C][Branch1][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][S][N][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1]
InChI: InChI=1S/C18H10Cl2FN3S/c19-14-9-10(7-8-22-14)23-17-11-3-1-2-4-12(11)24-18(16(17)21)13-5-6-15(20)25-13/h1-9H,(H,22,23,24)
SMILES: Fc1cccc(-c2nc3ccccc3c(Nc3ccnc(Cl)c3)c2F)c1
SELFIES: [F][C][=C][C][=C][C][Branch2][Ring1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][F][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H12ClF2N3/c21-17-11-14(8-9-24-17)25-20-15-6-1-2-7-16(15)26-19(18(20)23)12-4-3-5-13(22)10-12/h1-11H,(H,24,25,26)
SMILES: Cc1ccc(-c2nc3ccccc3c(N(C)c3ccncc3)c2F)o1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][F][O][Ring2][Ring1][Branch2]
InChI: InChI=1S/C20H16FN3O/c1-13-7-8-17(25-13)19-18(21)20(15-5-3-4-6-16(15)23-19)24(2)14-9-11-22-12-10-14/h3-12H,1-2H3
SMILES: CN(c1ccnc(Cl)c1)c1c(F)c(-c2ccc(Cl)s2)nc2ccccc12
SELFIES: [C][N][Branch1][N][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Branch1][C][F][C][Branch1][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1]
InChI: InChI=1S/C19H12Cl2FN3S/c1-25(11-8-9-23-15(20)10-11)19-12-4-2-3-5-13(12)24-18(17(19)22)14-6-7-16(21)26-14/h2-10H,1H3
SMILES: FB(F)(F)=[N+]=NC1=CC2=CC=CC=C2N=C1.[F-]
SMILES: Fc1ccccc1-c1nc2ccccc2c(Cl)c1F
SELFIES: [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][O][F]
InChI: InChI=1S/C15H8ClF2N/c16-13-10-6-2-4-8-12(10)19-15(14(13)18)9-5-1-3-7-11(9)17/h1-8H
SMILES: Fc1ccccc1-c1nc2ccccc2c(I)c1F
SELFIES: [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][I][=C][Ring1][O][F]
InChI: InChI=1S/C15H8F2IN/c16-11-7-3-1-5-9(11)15-13(17)14(18)10-6-2-4-8-12(10)19-15/h1-8H
SMILES: Fc1ccccc1-c1nc2ccccc2c(Nc2cccnc2)c1F
SELFIES: [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][P][F]
InChI: InChI=1S/C20H13F2N3/c21-16-9-3-1-7-14(16)19-18(22)20(24-13-6-5-11-23-12-13)15-8-2-4-10-17(15)25-19/h1-12H,(H,24,25)
SMILES: Fc1c(-c2ccc3c(c2)OCO3)nc2ccccc2c1Cl
SELFIES: [F][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][Cl]
InChI: InChI=1S/C16H9ClFNO2/c17-14-10-3-1-2-4-11(10)19-16(15(14)18)9-5-6-12-13(7-9)21-8-20-12/h1-7H,8H2
SMILES: Fc1c(-c2ccc3c(c2)OCO3)nc2ccccc2c1I
SELFIES: [F][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][I]
InChI: InChI=1S/C16H9FINO2/c17-14-15(18)10-3-1-2-4-11(10)19-16(14)9-5-6-12-13(7-9)21-8-20-12/h1-7H,8H2
SMILES: CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@@H](COc2ccc4ccccc4n2)CC3)n1
SELFIES: [C][C][C][N][C][=N][C][=C][C][Branch2][Ring2][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C@@H1][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][Ring1][P][=N][Ring2][Ring1][P]
InChI: InChI=1S/C29H27FN6O/c1-2-16-31-29-32-17-15-24(34-29)28-27(20-7-10-21(30)11-8-20)35-25-13-12-22(36(25)28)18-37-26-14-9-19-5-3-4-6-23(19)33-26/h3-11,14-15,17,22H,2,12-13,16,18H2,1H3,(H,31,32,34)/t22-/m1/s1
SMILES: CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@@H](Cn2ccc4ccccc42)CC3)n1
SELFIES: [C][C][C][N][C][=N][C][=C][C][Branch2][Ring2][#Branch2][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C@@H1][Branch1][#C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring1][#C][=N][Ring2][Ring1][#C]
InChI: InChI=1S/C28H27FN6/c1-2-15-30-28-31-16-13-23(32-28)27-26(20-7-9-21(29)10-8-20)33-25-12-11-22(35(25)27)18-34-17-14-19-5-3-4-6-24(19)34/h3-10,13-14,16-17,22H,2,11-12,15,18H2,1H3,(H,30,31,32)/t22-/m1/s1
SMILES: CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](COc2ncccn2)CC3)n1
SELFIES: [C][C][N][C][=N][C][=C][C][Branch2][Ring2][=Branch1][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C@H1][Branch1][O][C][O][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][=N]
InChI: InChI=1S/C23H22FN7O/c1-2-25-22-26-13-10-18(29-22)21-20(15-4-6-16(24)7-5-15)30-19-9-8-17(31(19)21)14-32-23-27-11-3-12-28-23/h3-7,10-13,17H,2,8-9,14H2,1H3,(H,25,26,29)/t17-/m0/s1
SMILES: Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)[C@H](COc2ccnc4ccccc24)CC3)cc1
SELFIES: [F][C][=C][C][=C][Branch2][Branch1][Ring2][C][N][=C][N][Branch2][Ring1][Branch1][C][=Ring1][Branch1][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][O][C@H1][Branch1][P][C][O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H27FN6O/c31-20-10-8-19(9-11-20)28-29(25-14-16-33-30(35-25)34-21-4-3-5-21)37-22(12-13-27(37)36-28)18-38-26-15-17-32-24-7-2-1-6-23(24)26/h1-2,6-11,14-17,21-22H,3-5,12-13,18H2,(H,33,34,35)/t22-/m0/s1
SMILES: CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](COc2ccc4cccc([N+](=O)[O-])c4n2)CC3)n1
SELFIES: [C][C][N][C][=N][C][=C][C][Branch2][Branch1][Branch1][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C@H1][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Ring1][=Branch2][=N][Ring1][=N][C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H24FN7O3/c1-2-30-28-31-15-14-21(32-28)27-26(18-6-9-19(29)10-7-18)33-23-12-11-20(35(23)27)16-39-24-13-8-17-4-3-5-22(36(37)38)25(17)34-24/h3-10,13-15,20H,2,11-12,16H2,1H3,(H,30,31,32)/t20-/m0/s1
SMILES: Cc1cc(OC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NC5CCC5)n4)n32)c2ccccc2n1
SELFIES: [C][C][=C][C][Branch2][Branch1][C][O][C][C@@H1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][C][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][O][N][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C31H29FN6O/c1-19-17-27(24-7-2-3-8-25(24)34-19)39-18-23-13-14-28-37-29(20-9-11-21(32)12-10-20)30(38(23)28)26-15-16-33-31(36-26)35-22-5-4-6-22/h2-3,7-12,15-17,22-23H,4-6,13-14,18H2,1H3,(H,33,35,36)/t23-/m0/s1
SMILES: Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)[C@H](CNc2ccccn2)CC3)cc1
SELFIES: [F][C][=C][C][=C][Branch2][Ring2][=C][C][N][=C][N][Branch2][Ring1][Branch1][C][=Ring1][Branch1][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][O][C@H1][Branch1][O][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H26FN7/c27-18-9-7-17(8-10-18)24-25(21-13-15-29-26(32-21)31-19-4-3-5-19)34-20(11-12-23(34)33-24)16-30-22-6-1-2-14-28-22/h1-2,6-10,13-15,19-20H,3-5,11-12,16H2,(H,28,30)(H,29,31,32)/t20-/m0/s1
SMILES: CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](Cn2cccc2)CC3)n1
SELFIES: [C][C][N][C][=N][C][=C][C][Branch2][Ring2][Ring2][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C@H1][Branch1][=Branch2][C][N][C][=C][C][=C][Ring1][Branch1][C][C][Ring1][O][=N][Ring2][Ring1][O]
InChI: InChI=1S/C23H23FN6/c1-2-25-23-26-12-11-19(27-23)22-21(16-5-7-17(24)8-6-16)28-20-10-9-18(30(20)22)15-29-13-3-4-14-29/h3-8,11-14,18H,2,9-10,15H2,1H3,(H,25,26,27)/t18-/m0/s1
SMILES: Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)[C@H](/C=C/c2cccs2)CC3)cc1
SELFIES: [F][C][=C][C][=C][Branch2][Ring2][=N][C][N][=C][N][Branch2][Ring1][Branch1][C][=Ring1][Branch1][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][O][C@H1][Branch1][#Branch2][/C][=C][/C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C26H24FN5S/c27-18-8-6-17(7-9-18)24-25(22-14-15-28-26(30-22)29-19-3-1-4-19)32-20(11-13-23(32)31-24)10-12-21-5-2-16-33-21/h2,5-10,12,14-16,19-20H,1,3-4,11,13H2,(H,28,29,30)/b12-10+/t20-/m1/s1
SMILES: Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)[C@H](Cn2ccnc2)CC3)cc1
SELFIES: [F][C][=C][C][=C][Branch2][Ring2][N][C][N][=C][N][Branch2][Ring1][Branch1][C][=Ring1][Branch1][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][O][C@H1][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C24H24FN7/c25-17-6-4-16(5-7-17)22-23(20-10-11-27-24(29-20)28-18-2-1-3-18)32-19(8-9-21(32)30-22)14-31-13-12-26-15-31/h4-7,10-13,15,18-19H,1-3,8-9,14H2,(H,27,28,29)/t19-/m0/s1
SMILES: Fc1ccc(SC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NC5CCC5)n4)n32)cc1
SELFIES: [F][C][=C][C][=C][Branch2][Branch1][C][S][C][C@@H1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][C][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][O][N][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C27H25F2N5S/c28-18-6-4-17(5-7-18)25-26(23-14-15-30-27(32-23)31-20-2-1-3-20)34-21(10-13-24(34)33-25)16-35-22-11-8-19(29)9-12-22/h4-9,11-12,14-15,20-21H,1-3,10,13,16H2,(H,30,31,32)/t21-/m0/s1
SMILES: COc1ccc(CSC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NC5CCC5)n4)n32)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][S][C][C@@H1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][C][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][O][N][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C29H30FN5OS/c1-36-24-12-5-19(6-13-24)17-37-18-23-11-14-26-34-27(20-7-9-21(30)10-8-20)28(35(23)26)25-15-16-31-29(33-25)32-22-3-2-4-22/h5-10,12-13,15-16,22-23H,2-4,11,14,17-18H2,1H3,(H,31,32,33)/t23-/m0/s1
SMILES: Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)[C@H](CC2CCCC2)CC3)cc1
SELFIES: [F][C][=C][C][=C][Branch2][Ring2][N][C][N][=C][N][Branch2][Ring1][Branch1][C][=Ring1][Branch1][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][O][C@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C26H30FN5/c27-19-10-8-18(9-11-19)24-25(22-14-15-28-26(30-22)29-20-6-3-7-20)32-21(12-13-23(32)31-24)16-17-4-1-2-5-17/h8-11,14-15,17,20-21H,1-7,12-13,16H2,(H,28,29,30)/t21-/m0/s1
SMILES: CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CN2C(=O)CCC2=O)CC3)n1
SELFIES: [C][C][N][C][=N][C][=C][C][Branch2][Ring2][Branch2][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C@H1][Branch1][=N][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][C][C][Ring1][=N][=N][Ring2][Ring1][=N]
InChI: InChI=1S/C23H23FN6O2/c1-2-25-23-26-12-11-17(27-23)22-21(14-3-5-15(24)6-4-14)28-18-8-7-16(30(18)22)13-29-19(31)9-10-20(29)32/h3-6,11-12,16H,2,7-10,13H2,1H3,(H,25,26,27)/t16-/m0/s1
SMILES: O=C1CCC(=O)N1C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCC4)n3)n21
SELFIES: [O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C@@H1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][C][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][O][N][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C25H25FN6O2/c26-16-6-4-15(5-7-16)23-24(19-12-13-27-25(29-19)28-17-2-1-3-17)32-18(8-9-20(32)30-23)14-31-21(33)10-11-22(31)34/h4-7,12-13,17-18H,1-3,8-11,14H2,(H,27,28,29)/t18-/m0/s1
SMILES: COc1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NC5CCC5)c4)n32)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][O][C][C@@H1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][C][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=C][Ring1][O][N][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C30H31FN4O2/c1-36-26-12-5-20(6-13-26)18-37-19-25-11-14-28-34-29(21-7-9-23(31)10-8-21)30(35(25)28)22-15-16-32-27(17-22)33-24-3-2-4-24/h5-10,12-13,15-17,24-25H,2-4,11,14,18-19H2,1H3,(H,32,33)/t25-/m0/s1
SMILES: COc1ccc(COC[C@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NC5CCC5)c4)n32)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][O][C][C@H1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][C][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=C][Ring1][O][N][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C30H31FN4O2/c1-36-26-12-5-20(6-13-26)18-37-19-25-11-14-28-34-29(21-7-9-23(31)10-8-21)30(35(25)28)22-15-16-32-27(17-22)33-24-3-2-4-24/h5-10,12-13,15-17,24-25H,2-4,11,14,18-19H2,1H3,(H,32,33)/t25-/m1/s1
SMILES: Cc1cc(C)c(C)c(C)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3
SMILES: CC1CCC(=C2SCCCS2)CC1
SELFIES: [C][C][C][C][C][=Branch1][=Branch2][=C][S][C][C][C][S][Ring1][=Branch1][C][C][Ring1][N]
InChI: InChI=1S/C11H18S2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h9H,2-8H2,1H3
SMILES: COC(F)(F)C1CCC(C)CC1
SELFIES: [C][O][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1]
InChI: InChI=1S/C9H16F2O/c1-7-3-5-8(6-4-7)9(10,11)12-2/h7-8H,3-6H2,1-2H3
SMILES: Cc1cc(F)c(C(=O)OC(C)(C)C)c(F)c1
SELFIES: [C][C][=C][C][Branch1][C][F][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][F][=C][Ring1][#C]
InChI: InChI=1S/C12H14F2O2/c1-7-5-8(13)10(9(14)6-7)11(15)16-12(2,3)4/h5-6H,1-4H3
SMILES: Cc1cc(F)c(-c2cc(F)c(F)c(F)c2)c(F)c1
SELFIES: [C][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][Branch1][C][F][=C][Ring1][P]
InChI: InChI=1S/C13H7F5/c1-6-2-8(14)12(9(15)3-6)7-4-10(16)13(18)11(17)5-7/h2-5H,1H3
SMILES: Cc1ccc(C(=O)O)cc1
SELFIES: [C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
SMILES: Cc1ccc(-c2ccc(F)c(F)c2)cc1
SELFIES: [C][C][=C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring1][=C]
InChI: InChI=1S/C13H10F2/c1-9-2-4-10(5-3-9)11-6-7-12(14)13(15)8-11/h2-8H,1H3
SMILES: CC1CCC(C(F)(F)Oc2ccc(F)c(F)c2)CC1
SELFIES: [C][C][C][C][C][Branch2][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring2][Ring1][C]
InChI: InChI=1S/C14H16F4O/c1-9-2-4-10(5-3-9)14(17,18)19-11-6-7-12(15)13(16)8-11/h6-10H,2-5H2,1H3
SMILES: CC1CCC(C(F)(F)Oc2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)CC1
SELFIES: [C][C][C][C][C][Branch2][Ring2][Branch2][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][Branch1][C][F][=C][Ring1][S][C][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C20H18F6O/c1-11-2-4-13(5-3-11)20(25,26)27-14-6-7-15(16(21)10-14)12-8-17(22)19(24)18(23)9-12/h6-11,13H,2-5H2,1H3
SMILES: CC1CCC(C(F)(F)Oc2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1
SELFIES: [C][C][C][C][C][Branch2][Ring2][Ring2][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][F][=C][Ring1][#C][C][C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H19F5O/c1-12-2-5-14(6-3-12)20(24,25)26-15-7-8-16(18(22)11-15)13-4-9-17(21)19(23)10-13/h4,7-12,14H,2-3,5-6H2,1H3