EdisonScientific/glyph-datasets huggingface dataset:
SMILES: O=C(O)c1nc(Cl)c(Cl)nc1O
SELFIES: [O][=C][Branch1][C][O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][O]
InChI: InChI=1S/C5H2Cl2N2O3/c6-2-3(7)9-4(10)1(8-2)5(11)12/h(H,9,10)(H,11,12)
SMILES: COc1nc(O)c(C(=O)O)nc1Cl
SELFIES: [C][O][C][=N][C][Branch1][C][O][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][=C][Ring1][#Branch2][Cl]
InChI: InChI=1S/C6H5ClN2O4/c1-13-5-3(7)8-2(6(11)12)4(10)9-5/h1H3,(H,9,10)(H,11,12)
SMILES: Nc1cccc(Oc2cccc(Cl)c2)c1
SELFIES: [N][C][=C][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][=C]
InChI: InChI=1S/C12H10ClNO/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h1-8H,14H2
SMILES: Nc1cccc(Oc2ccc(C(F)(F)F)cc2)c1
SELFIES: [N][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring1][P]
InChI: InChI=1S/C13H10F3NO/c14-13(15,16)9-4-6-11(7-5-9)18-12-3-1-2-10(17)8-12/h1-8H,17H2
SMILES: Nc1ccc(Sc2ccc(C(F)(F)F)cc2)cc1
SELFIES: [N][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]
InChI: InChI=1S/C13H10F3NS/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-8H,17H2
SMILES: Nc1ccc(Cc2cccc(C(F)(F)F)c2)cc1
SELFIES: [N][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P]
InChI: InChI=1S/C14H12F3N/c15-14(16,17)12-3-1-2-11(9-12)8-10-4-6-13(18)7-5-10/h1-7,9H,8,18H2
SMILES: Nc1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1
SELFIES: [N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C14H10F3NO/c15-14(16,17)11-3-1-2-10(8-11)13(19)9-4-6-12(18)7-5-9/h1-8H,18H2
SMILES: CCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1N
SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][=C][Ring1][P][N]
InChI: InChI=1S/C16H14F3NO3/c1-2-22-15(21)13-9-12(7-8-14(13)20)23-11-5-3-10(4-6-11)16(17,18)19/h3-9H,2,20H2,1H3
SMILES: N[C@@H]1CC2CC1c1ccccc12
SELFIES: [N][C@@H1][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
InChI: InChI=1S/C11H13N/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10-11H,5-6,12H2/t7?,10?,11-/m1/s1
SMILES: NCCCc1cccnc1
SELFIES: [N][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1]
InChI: InChI=1S/C8H12N2/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5,9H2
SMILES: CC1(C)Cc2ccccc2C1N
SELFIES: [C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N]
InChI: InChI=1S/C11H15N/c1-11(2)7-8-5-3-4-6-9(8)10(11)12/h3-6,10H,7,12H2,1-2H3
SMILES: CN(CCc1ccccc1)C(=O)C1(C)CC(N)CC(C)(C)C1
SELFIES: [C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][N][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2]
InChI: InChI=1S/C19H30N2O/c1-18(2)12-16(20)13-19(3,14-18)17(22)21(4)11-10-15-8-6-5-7-9-15/h5-9,16H,10-14,20H2,1-4H3
SMILES: CC(C)(C)CCOC(=O)C1(C)CC(N)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][N][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2]
InChI: InChI=1S/C16H31NO2/c1-14(2,3)7-8-19-13(18)16(6)10-12(17)9-15(4,5)11-16/h12H,7-11,17H2,1-6H3
SMILES: NC1CCN(C(=O)c2ccccc2)CC1
SELFIES: [N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C]
InChI: InChI=1S/C12H16N2O/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10/h1-5,11H,6-9,13H2
SMILES: CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](N)[C@H]1OC(C)=O
SELFIES: [C][C][=Branch1][C][=O][O][C@@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][C][C][O][C@H1][Branch1][C][N][C@H1][Ring1][N][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C12H19NO7/c1-5-9(18-6(2)14)10(19-7(3)15)11(12(13)17-5)20-8(4)16/h5,9-12H,13H2,1-4H3/t5-,9+,10+,11-,12-/m0/s1
SMILES: CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
SELFIES: [C][C][=Branch1][C][=O][O][C][C@H1][O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][C][N][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring1][#C][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C14H21NO9/c1-6(16)20-5-10-12(21-7(2)17)13(22-8(3)18)11(15)14(24-10)23-9(4)19/h10-14H,5,15H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
SMILES: CCCC[C@H]1C(=O)O[C@H](C)C(NC(=O)c2cccc(N)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C
SELFIES: [C][C][C][C][C@H1][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C@@H1][Ring2][Ring1][Branch2][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C]
InChI: InChI=1S/C25H36N2O8/c1-6-7-9-17-22(35-19(28)12-13(2)3)15(5)34-25(32)20(14(4)33-24(17)31)27-23(30)16-10-8-11-18(26)21(16)29/h8,10-11,13-15,17,20,22,29H,6-7,9,12,26H2,1-5H3,(H,27,30)/t14-,15+,17-,20?,22+/m1/s1
SMILES: O=C(Nc1ccc(C2CCCCC2)cc1)c1ncccc1O
SELFIES: [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C18H20N2O2/c21-16-7-4-12-19-17(16)18(22)20-15-10-8-14(9-11-15)13-5-2-1-3-6-13/h4,7-13,21H,1-3,5-6H2,(H,20,22)
SMILES: COc1ccnc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)C[C@@H]2O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][C][C@@H1][Ring1][#Branch2][O][=C][Ring2][Ring1][Ring2][O]
InChI: InChI=1S/C14H20N2O7/c1-23-8-2-3-15-10(12(8)20)14(22)16-9-7(18)4-6(5-17)11(19)13(9)21/h2-3,6-7,9,11,13,17-21H,4-5H2,1H3,(H,16,22)/t6-,7+,9+,11-,13-/m1/s1
SMILES: CCCCCCCCCNC(=O)c1ncccc1O
SELFIES: [C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-8-11-17-15(19)14-13(18)10-9-12-16-14/h9-10,12,18H,2-8,11H2,1H3,(H,17,19)
SMILES: O=C(NCC1CCCCC1)c1ncccc1O
SELFIES: [O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C13H18N2O2/c16-11-7-4-8-14-12(11)13(17)15-9-10-5-2-1-3-6-10/h4,7-8,10,16H,1-3,5-6,9H2,(H,15,17)
SMILES: O=C(NC1CCCCCCC1)c1ncccc1O
SELFIES: [O][=C][Branch1][N][N][C][C][C][C][C][C][C][C][Ring1][Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C14H20N2O2/c17-12-9-6-10-15-13(12)14(18)16-11-7-4-2-1-3-5-8-11/h6,9-11,17H,1-5,7-8H2,(H,16,18)
SMILES: CC1(C)CC(NC(=O)c2ncccc2O)CC(C)(C2CC2)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C18H26N2O2/c1-17(2)9-13(10-18(3,11-17)12-6-7-12)20-16(22)15-14(21)5-4-8-19-15/h4-5,8,12-13,21H,6-7,9-11H2,1-3H3,(H,20,22)
SMILES: CC1(C)CC(NC(=O)c2ncccc2O)CC(C)(C)C1=O
SELFIES: [C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C16H22N2O3/c1-15(2)8-10(9-16(3,4)14(15)21)18-13(20)12-11(19)6-5-7-17-12/h5-7,10,19H,8-9H2,1-4H3,(H,18,20)
SMILES: O=C(N[C@H]1CC2CC1[C@@H]1CCC[C@H]21)c1ncccc1O
SELFIES: [O][=C][Branch2][Ring1][C][N][C@H1][C][C][C][C][Ring1][Branch1][C@@H1][C][C][C][C@H1][Ring1][Branch2][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C16H20N2O2/c19-14-5-2-6-17-15(14)16(20)18-13-8-9-7-12(13)11-4-1-3-10(9)11/h2,5-6,9-13,19H,1,3-4,7-8H2,(H,18,20)/t9?,10-,11-,12?,13+/m1/s1
SMILES: C[C@H]1C2CC([C@H]3CCC[C@@H]23)[C@@H]1NC(=O)c1ncccc1O
SELFIES: [C][C@H1][C][C][C][Branch1][#Branch2][C@H1][C][C][C][C@@H1][Ring1][Branch2][Ring1][Branch1][C@@H1][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C17H22N2O2/c1-9-12-8-13(11-5-2-4-10(11)12)15(9)19-17(21)16-14(20)6-3-7-18-16/h3,6-7,9-13,15,20H,2,4-5,8H2,1H3,(H,19,21)/t9-,10+,11-,12?,13?,15+/m0/s1
SMILES: O=C(NC1CCC(O)CC1)c1ncccc1O
SELFIES: [O][=C][Branch1][=N][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C12H16N2O3/c15-9-5-3-8(4-6-9)14-12(17)11-10(16)2-1-7-13-11/h1-2,7-9,15-16H,3-6H2,(H,14,17)
SMILES: CC(=O)OC1CCC(NC(=O)c2ncccc2O)CC1
SELFIES: [C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][S]
InChI: InChI=1S/C14H18N2O4/c1-9(17)20-11-6-4-10(5-7-11)16-14(19)13-12(18)3-2-8-15-13/h2-3,8,10-11,18H,4-7H2,1H3,(H,16,19)
SMILES: CC(C)C(=O)OC1CCC(NC(=O)c2ncccc2O)CC1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][S]
InChI: InChI=1S/C16H22N2O4/c1-10(2)16(21)22-12-7-5-11(6-8-12)18-15(20)14-13(19)4-3-9-17-14/h3-4,9-12,19H,5-8H2,1-2H3,(H,18,20)
SMILES: O=C(OC1CCC(NC(=O)c2ncccc2O)CC1)c1ccccc1
SELFIES: [O][=C][Branch2][Ring1][#Branch2][O][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H20N2O4/c22-16-7-4-12-20-17(16)18(23)21-14-8-10-15(11-9-14)25-19(24)13-5-2-1-3-6-13/h1-7,12,14-15,22H,8-11H2,(H,21,23)
SMILES: O=C(Nc1cccc(Cl)c1)c1ncccc1O
SELFIES: [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C12H9ClN2O2/c13-8-3-1-4-9(7-8)15-12(17)11-10(16)5-2-6-14-11/h1-7,16H,(H,15,17)
SMILES: O=C(Nc1ccc(Cl)cc1)c1ncccc1O
SELFIES: [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-12(17)11-10(16)2-1-7-14-11/h1-7,16H,(H,15,17)
SMILES: O=C(Nc1cccc(C(F)(F)F)c1)c1ncccc1O
SELFIES: [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-12(20)11-10(19)5-2-6-17-11/h1-7,19H,(H,18,20)
SMILES: Cc1cc(C)cc(NC(=O)c2ncccc2O)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][=C][Ring1][P]
InChI: InChI=1S/C14H14N2O2/c1-9-6-10(2)8-11(7-9)16-14(18)13-12(17)4-3-5-15-13/h3-8,17H,1-2H3,(H,16,18)
SMILES: COc1cc(NC(=O)c2ncccc2O)cc(OC)c1
SELFIES: [C][O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C14H14N2O4/c1-19-10-6-9(7-11(8-10)20-2)16-14(18)13-12(17)4-3-5-15-13/h3-8,17H,1-2H3,(H,16,18)
SMILES: O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ncccc1O
SELFIES: [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C19H13F3N2O3/c20-19(21,22)12-3-7-14(8-4-12)27-15-9-5-13(6-10-15)24-18(26)17-16(25)2-1-11-23-17/h1-11,25H,(H,24,26)
SMILES: O=C(NCc1ccccc1Cl)c1ncccc1O
SELFIES: [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C13H11ClN2O2/c14-10-5-2-1-4-9(10)8-16-13(18)12-11(17)6-3-7-15-12/h1-7,17H,8H2,(H,16,18)
SMILES: O=C(NCc1cccc(Cl)c1)c1ncccc1O
SELFIES: [O][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C13H11ClN2O2/c14-10-4-1-3-9(7-10)8-16-13(18)12-11(17)5-2-6-15-12/h1-7,17H,8H2,(H,16,18)
SMILES: O=C(NCc1ccc(Cl)cc1)c1ncccc1O
SELFIES: [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C13H11ClN2O2/c14-10-5-3-9(4-6-10)8-16-13(18)12-11(17)2-1-7-15-12/h1-7,17H,8H2,(H,16,18)
SMILES: O=C(NCc1ccc(Cl)c(Cl)c1)c1ncccc1O
SELFIES: [O][=C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C13H10Cl2N2O2/c14-9-4-3-8(6-10(9)15)7-17-13(19)12-11(18)2-1-5-16-12/h1-6,18H,7H2,(H,17,19)
SMILES: Cc1cccc(CNC(=O)c2ncccc2O)c1
SELFIES: [C][C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][=C][Ring1][P]
InChI: InChI=1S/C14H14N2O2/c1-10-4-2-5-11(8-10)9-16-14(18)13-12(17)6-3-7-15-13/h2-8,17H,9H2,1H3,(H,16,18)
SMILES: Cc1ccc(CNC(=O)c2ncccc2O)cc1
SELFIES: [C][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][P]
InChI: InChI=1S/C14H14N2O2/c1-10-4-6-11(7-5-10)9-16-14(18)13-12(17)3-2-8-15-13/h2-8,17H,9H2,1H3,(H,16,18)
SMILES: COc1ccccc1CNC(=O)c1ncccc1O
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C14H14N2O3/c1-19-12-7-3-2-5-10(12)9-16-14(18)13-11(17)6-4-8-15-13/h2-8,17H,9H2,1H3,(H,16,18)
SMILES: COc1cccc(CNC(=O)c2ncccc2O)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][=C][Ring1][P]
InChI: InChI=1S/C14H14N2O3/c1-19-11-5-2-4-10(8-11)9-16-14(18)13-12(17)6-3-7-15-13/h2-8,17H,9H2,1H3,(H,16,18)
SMILES: COc1ccc(CNC(=O)c2ncccc2O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][P]
InChI: InChI=1S/C14H14N2O3/c1-19-11-6-4-10(5-7-11)9-16-14(18)13-12(17)3-2-8-15-13/h2-8,17H,9H2,1H3,(H,16,18)
SMILES: COc1cccc(CNC(=O)c2ncccc2O)c1OC
SELFIES: [C][O][C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][=C][Ring1][P][O][C]
InChI: InChI=1S/C15H16N2O4/c1-20-12-7-3-5-10(14(12)21-2)9-17-15(19)13-11(18)6-4-8-16-13/h3-8,18H,9H2,1-2H3,(H,17,19)
SMILES: O=C(NCc1cccc2ccccc12)c1ncccc1O
SELFIES: [O][=C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C17H14N2O2/c20-15-9-4-10-18-16(15)17(21)19-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10,20H,11H2,(H,19,21)
SMILES: CC(NC(=O)c1ncccc1O)c1ccccc1
SELFIES: [C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C14H14N2O2/c1-10(11-6-3-2-4-7-11)16-14(18)13-12(17)8-5-9-15-13/h2-10,17H,1H3,(H,16,18)
SMILES: CC(NC(=O)c1ncccc1O)c1ccc(Cl)cc1
SELFIES: [C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C14H13ClN2O2/c1-9(10-4-6-11(15)7-5-10)17-14(19)13-12(18)3-2-8-16-13/h2-9,18H,1H3,(H,17,19)
SMILES: C[C@@H](NC(=O)c1ncccc1O)c1cccc2ccccc12
SELFIES: [C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
InChI: InChI=1S/C18H16N2O2/c1-12(20-18(22)17-16(21)10-5-11-19-17)14-9-4-7-13-6-2-3-8-15(13)14/h2-12,21H,1H3,(H,20,22)/t12-/m1/s1
SMILES: C[C@H](NC(=O)c1ncccc1O)c1cccc2ccccc12
SELFIES: [C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
InChI: InChI=1S/C18H16N2O2/c1-12(20-18(22)17-16(21)10-5-11-19-17)14-9-4-7-13-6-2-3-8-15(13)14/h2-12,21H,1H3,(H,20,22)/t12-/m0/s1
SMILES: O=C(NCCCCc1ccccc1)c1ncccc1O
SELFIES: [O][=C][Branch1][=C][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C16H18N2O2/c19-14-10-6-12-17-15(14)16(20)18-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12,19H,4-5,9,11H2,(H,18,20)
SMILES: O=C(Nc1nccs1)c1ncccc1O
SELFIES: [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C9H7N3O2S/c13-6-2-1-3-10-7(6)8(14)12-9-11-4-5-15-9/h1-5,13H,(H,11,12,14)
SMILES: Cc1ccnc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c1O
SELFIES: [C][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][O]
InChI: InChI=1S/C17H26N2O2/c1-11-6-7-18-13(14(11)20)15(21)19-12-8-16(2,3)10-17(4,5)9-12/h6-7,12,20H,8-10H2,1-5H3,(H,19,21)
SMILES: Cc1ccnc(C(=O)NC2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1O
SELFIES: [C][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O]
InChI: InChI=1S/C26H30N2O8/c1-14(2)24(31)36-22-16(4)35-26(33)19(28-23(30)20-21(29)15(3)10-11-27-20)13-34-25(32)18(22)12-17-8-6-5-7-9-17/h5-11,14,16,18-19,22,29H,12-13H2,1-4H3,(H,28,30)/t16-,18+,19?,22-/m0/s1
SMILES: Cc1ccnc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1O
SELFIES: [C][C][=C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C20H15F3N2O3/c1-12-9-10-24-17(18(12)26)19(27)25-14-5-7-15(8-6-14)28-16-4-2-3-13(11-16)20(21,22)23/h2-11,26H,1H3,(H,25,27)
SMILES: COc1ccnc(C(=O)NCC#CCCl)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch1][O][C][=Branch1][C][=O][N][C][C][#C][C][Cl][=C][Ring1][=C][O]
InChI: InChI=1S/C11H11ClN2O3/c1-17-8-4-7-13-9(10(8)15)11(16)14-6-3-2-5-12/h4,7,15H,5-6H2,1H3,(H,14,16)
SMILES: COc1ccnc(C(=O)NCC#Cc2ccccc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][O]
InChI: InChI=1S/C16H14N2O3/c1-21-13-9-11-17-14(15(13)19)16(20)18-10-5-8-12-6-3-2-4-7-12/h2-4,6-7,9,11,19H,10H2,1H3,(H,18,20)
SMILES: COc1ccnc(C(=O)NCC2C(C=C(C)C)C2(C)C)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][C][=C][Branch1][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][=C][Ring2][Ring1][Ring1][O]
InChI: InChI=1S/C17H24N2O3/c1-10(2)8-11-12(17(11,3)4)9-19-16(21)14-15(20)13(22-5)6-7-18-14/h6-8,11-12,20H,9H2,1-5H3,(H,19,21)
SMILES: COc1ccnc(C(=O)NC/C=C(\C)CCC=C(C)C)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1][O]
InChI: InChI=1S/C17H24N2O3/c1-12(2)6-5-7-13(3)8-10-19-17(21)15-16(20)14(22-4)9-11-18-15/h6,8-9,11,20H,5,7,10H2,1-4H3,(H,19,21)/b13-8+
SMILES: COc1ccnc(C(=O)NCCCc2cccnc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][O]
InChI: InChI=1S/C15H17N3O3/c1-21-12-6-9-17-13(14(12)19)15(20)18-8-3-5-11-4-2-7-16-10-11/h2,4,6-7,9-10,19H,3,5,8H2,1H3,(H,18,20)
SMILES: COc1ccnc(C(=O)NCC(C)(C)Sc2ncc(C(F)(F)F)cc2Cl)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][S][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][=C][Ring2][Ring1][=Branch2][O]
InChI: InChI=1S/C17H17ClF3N3O3S/c1-16(2,28-15-10(18)6-9(7-23-15)17(19,20)21)8-24-14(26)12-13(25)11(27-3)4-5-22-12/h4-7,25H,8H2,1-3H3,(H,24,26)
SMILES: COc1ccnc(C(=O)NCC2COCCOCCOCCOCCO2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][Ring1][#C][=C][Ring2][Ring1][=Branch2][O]
InChI: InChI=1S/C18H28N2O8/c1-23-15-2-3-19-16(17(15)21)18(22)20-12-14-13-27-9-8-25-5-4-24-6-7-26-10-11-28-14/h2-3,14,21H,4-13H2,1H3,(H,20,22)
SMILES: COc1ccnc(C(=O)NC(C)c2ccc(Cl)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][O]
InChI: InChI=1S/C15H15ClN2O3/c1-9(10-3-5-11(16)6-4-10)18-15(20)13-14(19)12(21-2)7-8-17-13/h3-9,19H,1-2H3,(H,18,20)
SMILES: COc1ccnc(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][O]
InChI: InChI=1S/C16H15F3N2O3/c1-9(10-3-5-11(6-4-10)16(17,18)19)21-15(23)13-14(22)12(24-2)7-8-20-13/h3-9,22H,1-2H3,(H,21,23)
SMILES: COc1ccnc(C(=O)NC2CCCC2O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][O][=C][Ring1][#C][O]
InChI: InChI=1S/C12H16N2O4/c1-18-9-5-6-13-10(11(9)16)12(17)14-7-3-2-4-8(7)15/h5-8,15-16H,2-4H2,1H3,(H,14,17)
SMILES: COc1ccnc(C(=O)NC2CCCC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][#C][O]
InChI: InChI=1S/C12H14N2O4/c1-18-9-5-6-13-10(11(9)16)12(17)14-7-3-2-4-8(7)15/h5-7,16H,2-4H2,1H3,(H,14,17)
SMILES: COc1ccnc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][O]
InChI: InChI=1S/C17H26N2O3/c1-16(2)8-11(9-17(3,4)10-16)19-15(21)13-14(20)12(22-5)6-7-18-13/h6-7,11,20H,8-10H2,1-5H3,(H,19,21)
SMILES: CCC1(C)CC(NC(=O)c2nccc(OC)c2O)CC(C)(C)C1
SELFIES: [C][C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C18H28N2O3/c1-6-18(4)10-12(9-17(2,3)11-18)20-16(22)14-15(21)13(23-5)7-8-19-14/h7-8,12,21H,6,9-11H2,1-5H3,(H,20,22)
SMILES: COc1ccnc(C(=O)NC2CC(C)(C)CC(C)(C3CC3)C2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][N][=C][Ring2][Ring1][Branch1][O]
InChI: InChI=1S/C19H28N2O3/c1-18(2)9-13(10-19(3,11-18)12-5-6-12)21-17(23)15-16(22)14(24-4)7-8-20-15/h7-8,12-13,22H,5-6,9-11H2,1-4H3,(H,21,23)
SMILES: CCCCC1(C)CC(NC(=O)c2nccc(OC)c2O)CC(C)(C)C1
SELFIES: [C][C][C][C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C20H32N2O3/c1-6-7-9-20(4)12-14(11-19(2,3)13-20)22-18(24)16-17(23)15(25-5)8-10-21-16/h8,10,14,23H,6-7,9,11-13H2,1-5H3,(H,22,24)
SMILES: CCCCC1(C)CCCC(NC(=O)c2nccc(OC)c2O)C1
SELFIES: [C][C][C][C][C][Branch1][C][C][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C18H28N2O3/c1-4-5-9-18(2)10-6-7-13(12-18)20-17(22)15-16(21)14(23-3)8-11-19-15/h8,11,13,21H,4-7,9-10,12H2,1-3H3,(H,20,22)
SMILES: COc1ccnc(C(=O)NC2CC(C)(C)CC3(C2)CC3(F)F)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][C][C][Ring1][Ring2][Branch1][C][F][F][=C][Ring2][Ring1][Branch1][O]
InChI: InChI=1S/C17H22F2N2O3/c1-15(2)6-10(7-16(8-15)9-17(16,18)19)21-14(23)12-13(22)11(24-3)4-5-20-12/h4-5,10,22H,6-9H2,1-3H3,(H,21,23)
SMILES: COc1ccnc(C(=O)NC2CC(C(F)(F)F)CC(C(F)(F)F)C2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C15H16F6N2O3/c1-26-10-2-3-22-11(12(10)24)13(25)23-9-5-7(14(16,17)18)4-8(6-9)15(19,20)21/h2-3,7-9,24H,4-6H2,1H3,(H,23,25)
SMILES: COc1ccnc(C(=O)NC2CC(C)(C)CC(C)(COCC(Cl)CCl)C2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][#Branch2][C][O][C][C][Branch1][C][Cl][C][Cl][C][Ring1][S][=C][Ring2][Ring1][=Branch2][O]
InChI: InChI=1S/C20H30Cl2N2O4/c1-19(2)7-14(8-20(3,11-19)12-28-10-13(22)9-21)24-18(26)16-17(25)15(27-4)5-6-23-16/h5-6,13-14,25H,7-12H2,1-4H3,(H,24,26)