EdisonScientific/glyph-datasets huggingface dataset:
SMILES: c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
SELFIES: [C][=C][C][=C][Branch2][Branch1][#C][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1][C][=C][Ring2][Ring2][=C]
InChI: InChI=1S/C44H32P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
SMILES: CC1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1
SELFIES: [C][C][Branch1][C][C][O][C@@H1][Branch2][Ring1][Branch1][C][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][Branch1][C][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring2][C]
InChI: InChI=1S/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3/t29-,30-/m0/s1
SMILES: c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
SELFIES: [C][=C][C][=C][Branch2][Ring2][Ring2][P][Branch2][Ring1][Branch2][C][C][C][C][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2
SMILES: NCCCP(c1ccccc1)c1ccccc1
SELFIES: [N][C][C][C][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C15H18NP/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13,16H2
SMILES: CC(C)[C@@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1
SELFIES: [C][C][Branch1][C][C][C@@H1][C][O][C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2]
InChI: InChI=1S/C24H24NOP/c1-18(2)22-17-26-24(25-22)21-15-9-10-16-23(21)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,22H,17H2,1-2H3/t22-/m0/s1
SMILES: CC(C)CC/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
SELFIES: [C][C][Branch1][C][C][C][C][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C24H26NP/c1-20(2)17-18-25-19-21-11-9-10-16-24(21)26(22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-16,19-20H,17-18H2,1-2H3/b25-19+
SMILES: CC1(C)[C@@H]2CCC(C/N=C/c3ccccc3P(c3ccccc3)c3ccccc3)[C@H]1C2
SELFIES: [C][C][Branch1][C][C][C@@H1][C][C][C][Branch2][Ring1][#C][C][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][=N][C][Ring2][Ring1][N]
InChI: InChI=1S/C29H32NP/c1-29(2)24-18-17-22(27(29)19-24)20-30-21-23-11-9-10-16-28(23)31(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-16,21-22,24,27H,17-20H2,1-2H3/b30-21+/t22?,24-,27-/m1/s1
SMILES: O=C(c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
SELFIES: [O][=C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O]
InChI: InChI=1S/C19H10O5/c20-17(13-9-11-5-1-3-7-15(11)23-18(13)21)14-10-12-6-2-4-8-16(12)24-19(14)22/h1-10H
SMILES: C=CC(=O)OCCOc1ccc(C(=O)Oc2ccc(C(=O)N[C@@H](C)c3cccc4ccccc34)cc2)cc1
SELFIES: [C][=C][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C31H27NO6/c1-3-29(33)37-20-19-36-25-15-13-24(14-16-25)31(35)38-26-17-11-23(12-18-26)30(34)32-21(2)27-10-6-8-22-7-4-5-9-28(22)27/h3-18,21H,1,19-20H2,2H3,(H,32,34)/t21-/m0/s1
SMILES: C.C.CCCC(O)CN(CCO)CCO
SELFIES: [C].[C].[C][C][C][C][Branch1][C][O][C][N][Branch1][Ring2][C][C][O][C][C][O]
InChI: InChI=1S/C9H21NO3.2CH4/c1-2-3-9(13)8-10(4-6-11)5-7-12;;/h9,11-13H,2-8H2,1H3;2*1H4
SMILES: O=C(O)CN(CCN(CC(=O)O)CC(=O)N(CCO)CCO)CCN(CC(=O)O)CC(=O)N(CCO)CCO
SELFIES: [O][=C][Branch1][C][O][C][N][Branch2][Ring1][#Branch2][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O]
InChI: InChI=1S/C22H41N5O12/c28-9-5-26(6-10-29)18(32)13-24(16-21(36)37)3-1-23(15-20(34)35)2-4-25(17-22(38)39)14-19(33)27(7-11-30)8-12-31/h28-31H,1-17H2,(H,34,35)(H,36,37)(H,38,39)
SMILES: O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)Nc1ccc(Cc2ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc2)cc1
SELFIES: [O][=C][Branch1][C][O][C][N][Branch2][Ring1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][O][C][C][=C][C][=C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][=C][C][C][N][Branch2][Ring1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][P][C][=C][Ring2][Ring2][Branch2]
InChI: InChI=1S/C41H56N8O18/c50-32(18-46(22-36(56)57)13-9-44(20-34(52)53)11-15-48(24-38(60)61)25-39(62)63)42-30-5-1-28(2-6-30)17-29-3-7-31(8-4-29)43-33(51)19-47(23-37(58)59)14-10-45(21-35(54)55)12-16-49(26-40(64)65)27-41(66)67/h1-8H,9-27H2,(H,42,50)(H,43,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)
SMILES: COCCN(CCOC)C(=O)CN(CCN(CCN(CC(=O)O)CC(=O)N(CCOC)CCOC)CC(=O)O)CC(=O)O
SELFIES: [C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][C][N][Branch2][Ring2][Branch2][C][C][N][Branch2][Ring1][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][O][C][C][C][O][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H49N5O12/c1-40-13-9-30(10-14-41-2)22(32)17-28(20-25(36)37)7-5-27(19-24(34)35)6-8-29(21-26(38)39)18-23(33)31(11-15-42-3)12-16-43-4/h5-21H2,1-4H3,(H,34,35)(H,36,37)(H,38,39)
SMILES: O=C(O)CN(CCN(CC(=O)O)CC(=O)NCC(O)C(O)C(O)C(O)CO)CCN(CC(=O)O)CC(=O)NCC(O)C(O)C(O)C(O)CO
SELFIES: [O][=C][Branch1][C][O][C][N][Branch2][Ring2][Branch1][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][O]
InChI: InChI=1S/C26H49N5O18/c32-12-16(36)25(48)23(46)14(34)5-27-18(38)7-30(10-21(42)43)3-1-29(9-20(40)41)2-4-31(11-22(44)45)8-19(39)28-6-15(35)24(47)26(49)17(37)13-33/h14-17,23-26,32-37,46-49H,1-13H2,(H,27,38)(H,28,39)(H,40,41)(H,42,43)(H,44,45)
SMILES: C=Cc1ccc(NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)cc1
SELFIES: [C][=C][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C18H23N3O7/c1-2-13-3-5-14(6-4-13)19-15(22)9-20(10-16(23)24)7-8-21(11-17(25)26)12-18(27)28/h2-6H,1,7-12H2,(H,19,22)(H,23,24)(H,25,26)(H,27,28)
SMILES: CCC(C)C(C)C(C)C(C)C(C)(c1ccc(NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)cc1)C(C)C(C)C(C)C(C)CC
SELFIES: [C][C][C][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][C][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch2][C][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][C][C][C]
InChI: InChI=1S/C38H65N3O7/c1-12-24(3)26(5)28(7)30(9)38(11,31(10)29(8)27(6)25(4)13-2)32-14-16-33(17-15-32)39-34(42)20-40(21-35(43)44)18-19-41(22-36(45)46)23-37(47)48/h14-17,24-31H,12-13,18-23H2,1-11H3,(H,39,42)(H,43,44)(H,45,46)(H,47,48)
SMILES: OCC1O[C@H](O[C@@H]2C(O)[C@H](O)CC(CO)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
SELFIES: [O][C][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][C][Branch1][C][O][C@H1][Branch1][C][O][C][C][Branch1][Ring1][C][O][C@@H1][Ring1][#Branch2][O][C][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O]
InChI: InChI=1S/C13H24O10/c14-2-4-1-5(16)8(18)12(7(4)17)23-13-11(21)10(20)9(19)6(3-15)22-13/h4-21H,1-3H2/t4?,5-,6?,7+,8?,9+,10+,11?,12+,13-/m1/s1
SMILES: O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
SELFIES: [O][=C][Branch1][=N][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C9H8N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-4H2
SMILES: C.C.[H]OCCOc1ccc(CCCCCCCCC)cc1
SELFIES: [C].[C].[H][O][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][C][C][C][C][C][C][C][C][C][=C][Ring1][#C]
InChI: InChI=1S/C17H28O2.2CH4/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18;;/h10-13,18H,2-9,14-15H2,1H3;2*1H4
SMILES: Cc1ccc(-c2c3c(c(-c4cccc(-c5ccccc5)c4)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c48)c75)-c2c-6c(-c3ccc4ccccc4c3)c3ccccc3c2-c2ccccc2-c2ccccc2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][=Branch2][S][C][=C][C][=Branch2][Ring2][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][P][C][=C][C][=C][Ring2][Ring2][=Branch1][C][Ring2][Ring1][C][=C][Ring1][S][Ring1][=Branch1][=C][Ring1][N][Ring1][S][C][=C][Ring1][#C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][=Branch1][S]
InChI: InChI=1S/C81H48/c1-47-31-33-51(34-32-47)70-58-27-12-13-28-59(58)71(54-24-16-23-53(45-54)48-17-4-2-5-18-48)79-67-42-38-63-64-39-43-68-77-69(44-40-65(74(64)77)62-37-41-66(78(70)79)76(67)73(62)63)81-75(57-26-11-10-25-56(57)50-20-6-3-7-21-50)61-30-15-14-29-60(61)72(80(68)81)55-36-35-49-19-8-9-22-52(49)46-55/h2-46H,1H3
SMILES: CC(=O)c1ccc(-c2ccccc2-c2ccccc2-c2ccc(C(C)=O)cc2)cc1
SELFIES: [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][O]
InChI: InChI=1S/C28H22O2/c1-19(29)21-11-15-23(16-12-21)25-7-3-5-9-27(25)28-10-6-4-8-26(28)24-17-13-22(14-18-24)20(2)30/h3-18H,1-2H3
SMILES: c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccccc21
SELFIES: [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]
InChI: InChI=1S/C25H16O/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)25(19)21-13-5-7-15-23(21)26-24-16-8-6-14-22(24)25/h1-16H
SMILES: CCc1cc(CC)c2c(c1)C1(c3ccccc3S2)c2ccccc2-c2ccccc21
SELFIES: [C][C][C][=C][C][Branch1][Ring1][C][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][C][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
InChI: InChI=1S/C29H24S/c1-3-19-17-20(4-2)28-26(18-19)29(25-15-9-10-16-27(25)30-28)23-13-7-5-11-21(23)22-12-6-8-14-24(22)29/h5-18H,3-4H2,1-2H3
SMILES: CC(=O)c1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccc(C(C)=O)cc21
SELFIES: [C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C29H20O3/c1-17(30)19-11-13-22-21-7-3-4-8-23(21)29(25(22)15-19)24-9-5-6-10-27(24)32-28-14-12-20(18(2)31)16-26(28)29/h3-16H,1-2H3
SMILES: c1ccc2c(c1)-c1ccc(-c3ccc4ccc5ccccc5c4n3)cc1C21c2ccccc2-c2ccc(-c3ccc4ccc5ccccc5c4n3)cc21
SELFIES: [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][O]
InChI: InChI=1S/C51H30N2/c1-3-11-37-31(9-1)17-19-33-23-27-47(52-49(33)37)35-21-25-41-39-13-5-7-15-43(39)51(45(41)29-35)44-16-8-6-14-40(44)42-26-22-36(30-46(42)51)48-28-24-34-20-18-32-10-2-4-12-38(32)50(34)53-48/h1-30H
SMILES: CC(=O)c1ccc2c(c1)C1(c3cc(-c4ccc5ccc6ccccc6c5n4)ccc3-2)c2cc(-c3ccc4ccc5ccccc5c4n3)ccc2-c2ccc(-c3ccc4ccc5ccccc5c4n3)cc21
SELFIES: [C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring2][Ring2][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][Branch2][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][=C][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Branch1][=N]
InChI: InChI=1S/C66H39N3O/c1-38(70)45-20-27-52-53-28-21-46(60-31-24-42-17-14-39-8-2-5-11-49(39)63(42)67-60)35-57(53)66(56(52)34-45)58-36-47(61-32-25-43-18-15-40-9-3-6-12-50(40)64(43)68-61)22-29-54(58)55-30-23-48(37-59(55)66)62-33-26-44-19-16-41-10-4-7-13-51(41)65(44)69-62/h2-37H,1H3
SMILES: c1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2ccccc2-c2ccccc2-c2cccc(-c3ccc4ccc5cccnc5c4n3)c2)c1
SELFIES: [C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][=C][C][Branch2][Ring2][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][=C][Ring2][Ring1][Ring2][=C][Ring2][Branch1][Ring2]
InChI: InChI=1S/C48H30N4/c1-3-17-41(39(15-1)35-9-5-11-37(29-35)43-25-23-33-21-19-31-13-7-27-49-45(31)47(33)51-43)42-18-4-2-16-40(42)36-10-6-12-38(30-36)44-26-24-34-22-20-32-14-8-28-50-46(32)48(34)52-44/h1-30H
SMILES: CC1(C)CC2(CC(C)(C)c3ccc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc32)c2cc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)ccc21
SELFIES: [C][C][Branch1][C][C][C][C][Branch2][Branch1][Branch2][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][#C][C][=C][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][#Branch2][Ring2][Branch1][N]
InChI: InChI=1S/C57H44N4/c1-55(2)33-57(47-31-43(21-25-45(47)55)35-9-13-37(14-10-35)49-27-23-41-19-17-39-7-5-29-58-51(39)53(41)60-49)34-56(3,4)46-26-22-44(32-48(46)57)36-11-15-38(16-12-36)50-28-24-42-20-18-40-8-6-30-59-52(40)54(42)61-50/h5-32H,33-34H2,1-4H3
SMILES: c1ccc2c(c1)-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc1C21c2ccccc2-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc21
SELFIES: [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][O]
InChI: InChI=1S/C49H28N4/c1-3-11-39-35(9-1)37-21-17-33(43-23-19-31-15-13-29-7-5-25-50-45(29)47(31)52-43)27-41(37)49(39)40-12-4-2-10-36(40)38-22-18-34(28-42(38)49)44-24-20-32-16-14-30-8-6-26-51-46(30)48(32)53-44/h1-28H
SMILES: C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1
SELFIES: [C][=Branch2][Ring1][Ring2][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C40H30/c1-5-13-35(14-6-1)39(36-15-7-2-8-16-36)29-31-21-25-33(26-22-31)34-27-23-32(24-28-34)30-40(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-30H
SMILES: c1ccc2c(c1)ccc1ccc(-c3cc(-c4ccc5ccc6ccccc6c5n4)cc(-c4ccc5ccc6ccccc6c5n4)c3)nc12
SELFIES: [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch2][Branch1][Branch2][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=C][=C][Ring2][Ring2][C][N][=C][Ring2][Ring2][Branch2][Ring2][Ring2][=N]
InChI: InChI=1S/C45H27N3/c1-4-10-37-28(7-1)13-16-31-19-22-40(46-43(31)37)34-25-35(41-23-20-32-17-14-29-8-2-5-11-38(29)44(32)47-41)27-36(26-34)42-24-21-33-18-15-30-9-3-6-12-39(30)45(33)48-42/h1-27H
SMILES: c1ccc(-n2c(-c3cccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)c3)nc3c4ccccc4c4ccccc4c32)cc1
SELFIES: [C][=C][C][=C][Branch2][=Branch1][O][N][C][Branch2][Ring2][=C][C][=C][C][=C][C][Branch2][Ring2][C][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=C][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=C][Ring2][Ring2][=C][C][=C][Ring2][Branch1][Ring2]
InChI: InChI=1S/C48H30N4/c1-3-18-33(19-4-1)51-45-41-28-13-9-24-37(41)35-22-7-11-26-39(35)43(45)49-47(51)31-16-15-17-32(30-31)48-50-44-40-27-12-8-23-36(40)38-25-10-14-29-42(38)46(44)52(48)34-20-5-2-6-21-34/h1-30H
SMILES: Cc1ccccc1-c1oc(-c2ccccc2C)c2ccccc12
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=Ring1][S][Ring1][=Branch1]
InChI: InChI=1S/C22H18O/c1-15-9-3-5-11-17(15)21-19-13-7-8-14-20(19)22(23-21)18-12-6-4-10-16(18)2/h3-14H,1-2H3
SMILES: C=CCN(C)c1ccc(N=Nc2ccc(C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1
SELFIES: [C][=C][C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#C][N][=N][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C24H22N4O2/c1-3-18-27(2)23-16-12-22(13-17-23)26-25-21-10-6-19(7-11-21)4-5-20-8-14-24(15-9-20)28(29)30/h3-17H,1,18H2,2H3
SMILES: O=[N+]([O-])c1ccc(-c2ccc(N=Nc3ccccc3)cc2)cc1
SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C18H13N3O2/c22-21(23)18-12-8-15(9-13-18)14-6-10-17(11-7-14)20-19-16-4-2-1-3-5-16/h1-13H
SMILES: O=[N+]([O-])c1ccc(-c2ccc(N=Nc3ccc(N(CCO)CCO)cc3)cc2)cc1
SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][=N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
InChI: InChI=1S/C22H22N4O4/c27-15-13-25(14-16-28)21-11-7-20(8-12-21)24-23-19-5-1-17(2-6-19)18-3-9-22(10-4-18)26(29)30/h1-12,27-28H,13-16H2
SMILES: CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H17N5O4/c1-3-19(4-2)13-7-5-12(6-8-13)17-18-15-10-9-14(20(22)23)11-16(15)21(24)25/h5-11H,3-4H2,1-2H3
SMILES: CCN(CC)c1ccc(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][=N][C][=C][Branch1][C][Br][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C16H16BrN5O4/c1-3-20(4-2)12-7-5-11(6-8-12)18-19-16-14(17)9-13(21(23)24)10-15(16)22(25)26/h5-10H,3-4H2,1-2H3
SMILES: CCN(CC)c1ccc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][O][N][=N][C][=C][Branch1][Ring1][C][#N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C17H16N6O4/c1-3-21(4-2)14-7-5-13(6-8-14)19-20-17-12(11-18)9-15(22(24)25)10-16(17)23(26)27/h5-10H,3-4H2,1-2H3
SMILES: CCN(CC)c1cc(NC(C)=O)c(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)cc1OC
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Branch2][Ring1][Branch2][N][=N][C][=C][Branch1][Ring1][C][#N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O][C][#N][C][=C][Ring2][Ring1][=Branch2][O][C]
InChI: InChI=1S/C21H21N7O4/c1-5-27(6-2)19-9-17(24-13(3)29)18(10-20(19)32-4)25-26-21-14(11-22)7-16(28(30)31)8-15(21)12-23/h7-10H,5-6H2,1-4H3,(H,24,29)
SMILES: COc1cc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)c(NC(C)=O)cc1N(CCO)CCC(=O)O
SELFIES: [C][O][C][=C][C][Branch2][Ring1][Branch2][N][=N][C][=C][Branch1][Ring1][C][#N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O][C][#N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][=Branch2][N][Branch1][Ring2][C][C][O][C][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C22H21N7O7/c1-13(31)25-17-9-19(28(5-6-30)4-3-21(32)33)20(36-2)10-18(17)26-27-22-14(11-23)7-16(29(34)35)8-15(22)12-24/h7-10,30H,3-6H2,1-2H3,(H,25,31)(H,32,33)
SMILES: COCCCNc1ccc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)c2ccccc12
SELFIES: [C][O][C][C][C][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][=N][C][=C][Branch1][Ring1][C][#N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O][C][#N][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][=Branch1]
InChI: InChI=1S/C22H18N6O3/c1-31-10-4-9-25-20-7-8-21(19-6-3-2-5-18(19)20)26-27-22-15(13-23)11-17(28(29)30)12-16(22)14-24/h2-3,5-8,11-12,25H,4,9-10H2,1H3
SMILES: CN(C)c1ccc(N=Nc2snc3ccc([N+](=O)[O-])cc23)cc1
SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][=N][C][S][N][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=Ring1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C15H13N5O2S/c1-19(2)11-5-3-10(4-6-11)16-17-15-13-9-12(20(21)22)7-8-14(13)18-23-15/h3-9H,1-2H3
SMILES: CC(=O)c1cc([N+](=O)[O-])c(N=Nc2ccc(N(C)C)cc2)s1
SELFIES: [C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch2][Ring1][C][N][=N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][Ring2][Ring1][Ring1]
InChI: InChI=1S/C14H14N4O3S/c1-9(19)13-8-12(18(20)21)14(22-13)16-15-10-4-6-11(7-5-10)17(2)3/h4-8H,1-3H3
SMILES: COc1cc(N=Nc2sc(C(C)=O)cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCO)CCO
SELFIES: [C][O][C][=C][C][Branch2][Ring1][=Branch1][N][=N][C][S][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][#Branch1][N][Branch1][Ring2][C][C][O][C][C][O]
InChI: InChI=1S/C19H23N5O7S/c1-11(27)18-10-16(24(29)30)19(32-18)22-21-14-9-17(31-3)15(8-13(14)20-12(2)28)23(4-6-25)5-7-26/h8-10,25-26H,4-7H2,1-3H3,(H,20,28)