EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CNc1nc2ccccc2s1
SELFIES: [C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2]
InChI: InChI=1S/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)
SMILES: CNC(=O)c1cccnc1
SELFIES: [C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1]
InChI: InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
SMILES: CNc1nccc(C(F)(F)F)n1
SELFIES: [C][N][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2]
InChI: InChI=1S/C6H6F3N3/c1-10-5-11-3-2-4(12-5)6(7,8)9/h2-3H,1H3,(H,10,11,12)
SMILES: CNc1cc(=O)[nH]c(=O)[nH]1
SELFIES: [C][N][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][Ring1][Branch2]
InChI: InChI=1S/C5H7N3O2/c1-6-3-2-4(9)8-5(10)7-3/h2H,1H3,(H3,6,7,8,9,10)
SMILES: CN(C)C(=N)N1CCN(C=O)CC1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=N][N][C][C][N][Branch1][Ring1][C][=O][C][C][Ring1][Branch2]
InChI: InChI=1S/C8H16N4O/c1-10(2)8(9)12-5-3-11(7-13)4-6-12/h7,9H,3-6H2,1-2H3
SMILES: CNC(=N)N1CCN(C=O)CC1
SELFIES: [C][N][C][=Branch1][C][=N][N][C][C][N][Branch1][Ring1][C][=O][C][C][Ring1][Branch2]
InChI: InChI=1S/C7H14N4O/c1-9-7(8)11-4-2-10(6-12)3-5-11/h6H,2-5H2,1H3,(H2,8,9)
SMILES: C/N=C(/NC)NCCN(C)C
SELFIES: [C][/N][=C][Branch1][Ring1][/N][C][N][C][C][N][Branch1][C][C][C]
InChI: InChI=1S/C7H18N4/c1-8-7(9-2)10-5-6-11(3)4/h5-6H2,1-4H3,(H2,8,9,10)
SMILES: CNC(=N)c1ccc(O)c(O)c1
SELFIES: [C][N][C][=Branch1][C][=N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
InChI: InChI=1S/C8H10N2O2/c1-10-8(9)5-2-3-6(11)7(12)4-5/h2-4,11-12H,1H3,(H2,9,10)
SMILES: CNC(=N)N1CC[N+](C)(C)CC1
SELFIES: [C][N][C][=Branch1][C][=N][N][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2]
InChI: InChI=1S/C8H19N4/c1-10-8(9)11-4-6-12(2,3)7-5-11/h4-7H2,1-3H3,(H2,9,10)/q+1
SMILES: CNC(=N)N1CCN(C)CC1
SELFIES: [C][N][C][=Branch1][C][=N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
InChI: InChI=1S/C7H16N4/c1-9-7(8)11-5-3-10(2)4-6-11/h3-6H2,1-2H3,(H2,8,9)
SMILES: CNC(=N)NCCN(C)C
SELFIES: [C][N][C][=Branch1][C][=N][N][C][C][N][Branch1][C][C][C]
InChI: InChI=1S/C6H16N4/c1-8-6(7)9-4-5-10(2)3/h4-5H2,1-3H3,(H3,7,8,9)
SMILES: CN(C)CCNC(=N)N(C)C
SELFIES: [C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=N][N][Branch1][C][C][C]
InChI: InChI=1S/C7H18N4/c1-10(2)6-5-9-7(8)11(3)4/h5-6H2,1-4H3,(H2,8,9)
SMILES: CNC(=N)NN=Cc1ccc(O)c(O)c1
SELFIES: [C][N][C][=Branch1][C][=N][N][N][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
InChI: InChI=1S/C9H12N4O2/c1-11-9(10)13-12-5-6-2-3-7(14)8(15)4-6/h2-5,14-15H,1H3,(H3,10,11,13)
SMILES: CCCC/N=C(\NC)SC
SELFIES: [C][C][C][C][/N][=C][Branch1][Ring1][\N][C][S][C]
InChI: InChI=1S/C7H16N2S/c1-4-5-6-9-7(8-2)10-3/h4-6H2,1-3H3,(H,8,9)
SMILES: CNC(=S)NCCS(=O)(=O)O
SELFIES: [C][N][C][=Branch1][C][=S][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O]
InChI: InChI=1S/C4H10N2O3S2/c1-5-4(10)6-2-3-11(7,8)9/h2-3H2,1H3,(H2,5,6,10)(H,7,8,9)
SMILES: CNC(=S)N1CCN(C)CC1
SELFIES: [C][N][C][=Branch1][C][=S][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
InChI: InChI=1S/C7H15N3S/c1-8-7(11)10-5-3-9(2)4-6-10/h3-6H2,1-2H3,(H,8,11)
SMILES: CC/N=C(\NN)N1CCCC1
SELFIES: [C][C][/N][=C][Branch1][Ring1][\N][N][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C7H16N4/c1-2-9-7(10-8)11-5-3-4-6-11/h2-6,8H2,1H3,(H,9,10)
SMILES: C/N=C(\NN)N1CCOCC1
SELFIES: [C][/N][=C][Branch1][Ring1][\N][N][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C6H14N4O/c1-8-6(9-7)10-2-4-11-5-3-10/h2-5,7H2,1H3,(H,8,9)
SMILES: CN1CCN(C(=N)NN)CC1
SELFIES: [C][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=N][N][N][C][C][Ring1][#Branch2]
InChI: InChI=1S/C6H15N5/c1-10-2-4-11(5-3-10)6(7)9-8/h2-5,8H2,1H3,(H2,7,9)
SMILES: C/N=C(\NN)N1CCN(C=O)CC1
SELFIES: [C][/N][=C][Branch1][Ring1][\N][N][N][C][C][N][Branch1][Ring1][C][=O][C][C][Ring1][Branch2]
InChI: InChI=1S/C7H15N5O/c1-9-7(10-8)12-4-2-11(6-13)3-5-12/h6H,2-5,8H2,1H3,(H,9,10)
SMILES: C/N=C(\NN)N1CCNCC1
SELFIES: [C][/N][=C][Branch1][Ring1][\N][N][N][C][C][N][C][C][Ring1][=Branch1]
InChI: InChI=1S/C6H15N5/c1-8-6(10-7)11-4-2-9-3-5-11/h9H,2-5,7H2,1H3,(H,8,10)
SMILES: N=C(NN)NCC(F)(F)F
SELFIES: [N][=C][Branch1][Ring1][N][N][N][C][C][Branch1][C][F][Branch1][C][F][F]
InChI: InChI=1S/C3H7F3N4/c4-3(5,6)1-9-2(7)10-8/h1,8H2,(H3,7,9,10)
SMILES: CN(C)CCNC(=N)N(C)N
SELFIES: [C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=N][N][Branch1][C][C][N]
InChI: InChI=1S/C6H17N5/c1-10(2)5-4-9-6(7)11(3)8/h4-5,8H2,1-3H3,(H2,7,9)
SMILES: CN(N)C(=N)N1CCNCC1
SELFIES: [C][N][Branch1][C][N][C][=Branch1][C][=N][N][C][C][N][C][C][Ring1][=Branch1]
InChI: InChI=1S/C6H15N5/c1-10(8)6(7)11-4-2-9-3-5-11/h7,9H,2-5,8H2,1H3
SMILES: O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
SELFIES: [O][=S][=Branch1][C][=O][Branch1][P][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]
InChI: InChI=1S/C2F6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/q-1
SMILES: CC(C)(C)c1cc(-c2ccc(N)cc2)cc(C(C)(C)C)c1Oc1ccc(N)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C26H32N2O/c1-25(2,3)22-15-18(17-7-9-19(27)10-8-17)16-23(26(4,5)6)24(22)29-21-13-11-20(28)12-14-21/h7-16H,27-28H2,1-6H3
SMILES: O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21
SELFIES: [O][=C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=O][=C][C][=C][Ring1][P][Ring2][Ring1][Branch1]
InChI: InChI=1S/C16H6O6/c17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h1-6H
SMILES: O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12
SELFIES: [O][=C][O][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=C][Ring1][#C][Ring1][O]
InChI: InChI=1S/C10H2O6/c11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-2H
SMILES: O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O
SELFIES: [O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=O]
InChI: InChI=1S/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H
SMILES: O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21
SELFIES: [O][=C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=O][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C16H6O7/c17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18/h1-6H
SMILES: O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)ccc21
SELFIES: [O][=C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][#Branch2][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=C]
InChI: InChI=1S/C19H6F6O6/c20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27/h1-6H
SMILES: O=C1OC(=O)c2cc(S(=O)(=O)c3ccc4c(c3)C(=O)OC4=O)ccc21
SELFIES: [O][=C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=O][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][Branch2]
InChI: InChI=1S/C16H6O8S/c17-13-9-3-1-7(5-11(9)15(19)23-13)25(21,22)8-2-4-10-12(6-8)16(20)24-14(10)18/h1-6H
SMILES: CC(C)(C)OC(=O)[N-]1CCCC(C(=O)NCCNC=O)CC1
SMILES: CC(C)(C)OC(=O)[N-]1CCCC(C(=O)NCCCCCCNC=O)CC1
SMILES: CC(=O)O[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3ccccc3)[C@]34OC(=O)O[C@H]3C(O)C(C)=C1C4(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2OC(=O)OC(C)(C)C
SELFIES: [C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@@][Branch1][C][C][C][Branch2][Ring2][=C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][O][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][C][Branch1][C][O][C][Branch1][C][C][=C][Ring2][Ring1][O][C][Ring1][N][Branch1][C][C][C][C@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][O][C@@H1][Ring1][Branch2][C][C@@H1][Ring2][Ring2][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C37H44O15/c1-17-23-25(46-18(2)38)27(41)35(9)21(47-31(43)51-33(4,5)6)15-22-36(16-45-22,50-19(3)39)26(35)29(48-30(42)20-13-11-10-12-14-20)37(34(23,7)8)28(24(17)40)49-32(44)52-37/h10-14,21-22,24-26,28-29,40H,15-16H2,1-9H3/t21-,22+,24?,25+,26?,28-,29-,35+,36-,37+/m0/s1
SMILES: COc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C@H1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][O][C]
InChI: InChI=1S/C21H22O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3/t15-,16+/m0/s1
SMILES: CCOCc1ccc(C=O)o1
SELFIES: [C][C][O][C][C][=C][C][=C][Branch1][Ring1][C][=O][O][Ring1][#Branch1]
InChI: InChI=1S/C8H10O3/c1-2-10-6-8-4-3-7(5-9)11-8/h3-5H,2,6H2,1H3
SMILES: CC(C)(C)OC(=O)C[C@H]1C[C@@H](CCN(Cc2ccccc2)Cc2ccccc2)OC(C)(C)O1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C@H1][C][C@@H1][Branch2][Ring1][Branch2][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C28H39NO4/c1-27(2,3)33-26(30)19-25-18-24(31-28(4,5)32-25)16-17-29(20-22-12-8-6-9-13-22)21-23-14-10-7-11-15-23/h6-15,24-25H,16-21H2,1-5H3/t24-,25-/m1/s1
SMILES: CC(C)C(=O)C(C(=O)Nc1ccccc1)C(C(=O)c1ccc(F)cc1)c1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C26H24FNO3/c1-17(2)24(29)23(26(31)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(30)19-13-15-20(27)16-14-19/h3-17,22-23H,1-2H3,(H,28,31)
SMILES: C1CCC2=NCCCN2CC1
SELFIES: [C][C][C][C][=N][C][C][C][N][Ring1][=Branch1][C][C][Ring1][O]
InChI: InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
SMILES: Cc1cc(S(F)(F)(F)(F)F)c([N+](=O)[O-])cc1C(=O)O
SELFIES: [C][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C8H6F5NO4S/c1-4-2-7(19(9,10,11,12)13)6(14(17)18)3-5(4)8(15)16/h2-3H,1H3,(H,15,16)
SMILES: Nc1ccc(S(F)(F)(F)(F)F)cc1
SELFIES: [N][C][=C][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N]
InChI: InChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4H,12H2
SMILES: Nc1ccc(S(F)(F)(F)(F)F)cc1Br
SELFIES: [N][C][=C][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N][Br]
InChI: InChI=1S/C6H5BrF5NS/c7-5-3-4(1-2-6(5)13)14(8,9,10,11)12/h1-3H,13H2
SMILES: Cc1cc(S(F)(F)(F)(F)F)ccc1N
SELFIES: [C][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][N][N]
InChI: InChI=1S/C7H8F5NS/c1-5-4-6(2-3-7(5)13)14(8,9,10,11)12/h2-4H,13H2,1H3
SMILES: Cc1cc(S(F)(F)(F)(F)F)ccc1Br
SELFIES: [C][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][N][Br]
InChI: InChI=1S/C7H6BrF5S/c1-5-4-6(2-3-7(5)8)14(9,10,11,12)13/h2-4H,1H3
SMILES: Cc1cc(S(F)(F)(F)(F)F)ccc1C#N
SELFIES: [C][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][N][C][#N]
InChI: InChI=1S/C8H6F5NS/c1-6-4-8(3-2-7(6)5-14)15(9,10,11,12)13/h2-4H,1H3
SMILES: Cc1cc(S(F)(F)(F)(F)F)ccc1C(=O)O
SELFIES: [C][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C8H7F5O2S/c1-5-4-6(16(9,10,11,12)13)2-3-7(5)8(14)15/h2-4H,1H3,(H,14,15)
SMILES: COC(=O)c1cc(N)c(Cl)c(S(F)(F)(F)(F)F)c1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C]
InChI: InChI=1S/C8H7ClF5NO2S/c1-17-8(16)4-2-5(15)7(9)6(3-4)18(10,11,12,13)14/h2-3H,15H2,1H3
SMILES: COC(=O)c1cc(N)cc(S(F)(F)(F)(F)F)c1Cl
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N][Cl]
InChI: InChI=1S/C8H7ClF5NO2S/c1-17-8(16)5-2-4(15)3-6(7(5)9)18(10,11,12,13)14/h2-3H,15H2,1H3
SMILES: O=C(O)c1cccc(S(F)(F)(F)(F)F)c1
SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N]
InChI: InChI=1S/C7H5F5O2S/c8-15(9,10,11,12)6-3-1-2-5(4-6)7(13)14/h1-4H,(H,13,14)
SMILES: O=C(O)c1cc([N+](=O)[O-])cc(S(F)(F)(F)(F)F)c1
SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#C]
InChI: InChI=1S/C7H4F5NO4S/c8-18(9,10,11,12)6-2-4(7(14)15)1-5(3-6)13(16)17/h1-3H,(H,14,15)
SMILES: COC(=O)c1cc([N+](=O)[O-])cc(S(F)(F)(F)(F)F)c1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#C]
InChI: InChI=1S/C8H6F5NO4S/c1-18-8(15)5-2-6(14(16)17)4-7(3-5)19(9,10,11,12)13/h2-4H,1H3
SMILES: COC(=O)c1cc(N)cc(S(F)(F)(F)(F)F)c1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N]
InChI: InChI=1S/C8H8F5NO2S/c1-16-8(15)5-2-6(14)4-7(3-5)17(9,10,11,12)13/h2-4H,14H2,1H3
SMILES: O=C1c2ccccc2C(=O)N1c1cccc(S(F)(F)(F)(F)F)c1
SELFIES: [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N]
InChI: InChI=1S/C14H8F5NO2S/c15-23(16,17,18,19)10-5-3-4-9(8-10)20-13(21)11-6-1-2-7-12(11)14(20)22/h1-8H
SMILES: Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1S(F)(F)(F)(F)F
SELFIES: [N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring1][P][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F]
InChI: InChI=1S/C14H9F5N2O2S/c15-24(16,17,18,19)12-7-8(5-6-11(12)20)21-13(22)9-3-1-2-4-10(9)14(21)23/h1-7H,20H2
SMILES: O=C1c2ccccc2C(=O)N1c1ccc(NO)c(S(F)(F)(F)(F)F)c1
SELFIES: [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][N][O][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C]
InChI: InChI=1S/C14H9F5N2O3S/c15-25(16,17,18,19)12-7-8(5-6-11(12)20-24)21-13(22)9-3-1-2-4-10(9)14(21)23/h1-7,20,24H
SMILES: N#Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1S(F)(F)(F)(F)F
SELFIES: [N][#C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring1][P][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F]
InChI: InChI=1S/C15H7F5N2O2S/c16-25(17,18,19,20)13-7-10(6-5-9(13)8-21)22-14(23)11-3-1-2-4-12(11)15(22)24/h1-7H
SMILES: COc1c(Br)cc(S(F)(F)(F)(F)F)c([N+](=O)[O-])c1Br
SELFIES: [C][O][C][=C][Branch1][C][Br][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][S][Br]
InChI: InChI=1S/C7H4Br2F5NO3S/c1-18-7-3(8)2-4(19(10,11,12,13)14)6(5(7)9)15(16)17/h2H,1H3
SMILES: Oc1ccc(S(F)(F)(F)(F)F)cc1
SELFIES: [O][C][=C][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N]
InChI: InChI=1S/C6H5F5OS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4,12H
SMILES: COc1ccc(S(F)(F)(F)(F)F)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N]
InChI: InChI=1S/C7H7F5OS/c1-13-6-2-4-7(5-3-6)14(8,9,10,11)12/h2-5H,1H3
SMILES: Oc1c(Br)cc(S(F)(F)(F)(F)F)cc1Br
SELFIES: [O][C][=C][Branch1][C][Br][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][Br]
InChI: InChI=1S/C6H3Br2F5OS/c7-4-1-3(2-5(8)6(4)14)15(9,10,11,12)13/h1-2,14H
SMILES: COc1c(Br)cc(S(F)(F)(F)(F)F)cc1Br
SELFIES: [C][O][C][=C][Branch1][C][Br][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][Br]
InChI: InChI=1S/C7H5Br2F5OS/c1-15-7-5(8)2-4(3-6(7)9)16(10,11,12,13)14/h2-3H,1H3
SMILES: COc1ccc(S(F)(F)(F)(F)F)cc1Cl
SELFIES: [C][O][C][=C][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N][Cl]
InChI: InChI=1S/C7H6ClF5OS/c1-14-7-3-2-5(4-6(7)8)15(9,10,11,12)13/h2-4H,1H3
SMILES: Oc1c(Cl)cc(S(F)(F)(F)(F)F)cc1Br
SELFIES: [O][C][=C][Branch1][C][Cl][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][Br]
InChI: InChI=1S/C6H3BrClF5OS/c7-4-1-3(2-5(8)6(4)14)15(9,10,11,12)13/h1-2,14H
SMILES: COc1c(Cl)cc(S(F)(F)(F)(F)F)cc1Br
SELFIES: [C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][Br]
InChI: InChI=1S/C7H5BrClF5OS/c1-15-7-5(8)2-4(3-6(7)9)16(10,11,12,13)14/h2-3H,1H3
SMILES: Nc1cc(S(F)(F)(F)(F)F)c([N+](=O)[O-])cc1Cl
SELFIES: [N][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#C][Cl]
InChI: InChI=1S/C6H4ClF5N2O2S/c7-3-1-5(14(15)16)6(2-4(3)13)17(8,9,10,11)12/h1-2H,13H2
SMILES: CC(C)N(NC(=O)c1ccccc1)C(=O)CSc1ccccc1Br
SELFIES: [C][C][Branch1][C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]
InChI: InChI=1S/C18H19BrN2O2S/c1-13(2)21(20-18(23)14-8-4-3-5-9-14)17(22)12-24-16-11-7-6-10-15(16)19/h3-11,13H,12H2,1-2H3,(H,20,23)
SMILES: COCCOc1ccc(C(=O)NN(C(=O)COc2ccc(F)cc2Br)C(C)C)cc1
SELFIES: [C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H24BrFN2O5/c1-14(2)25(20(26)13-30-19-9-6-16(23)12-18(19)22)24-21(27)15-4-7-17(8-5-15)29-11-10-28-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,27)
SMILES: CC(C)N(NC(=O)c1cccs1)C(=O)COc1ccc(F)cc1Br
SELFIES: [C][C][Branch1][C][C][N][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br]
InChI: InChI=1S/C16H16BrFN2O3S/c1-10(2)20(19-16(22)14-4-3-7-24-14)15(21)9-23-13-6-5-11(18)8-12(13)17/h3-8,10H,9H2,1-2H3,(H,19,22)
SMILES: CC(C)N(NC(=O)c1ccsc1)C(=O)COc1ccc(F)cc1Br
SELFIES: [C][C][Branch1][C][C][N][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br]
InChI: InChI=1S/C16H16BrFN2O3S/c1-10(2)20(19-16(22)11-5-6-24-9-11)15(21)8-23-14-4-3-12(18)7-13(14)17/h3-7,9-10H,8H2,1-2H3,(H,19,22)
SMILES: CC(C)N(NC(=O)C1CCSCC1)C(=O)COc1ccc(F)cc1Br
SELFIES: [C][C][Branch1][C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][S][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br]
InChI: InChI=1S/C17H22BrFN2O3S/c1-11(2)21(20-17(23)12-5-7-25-8-6-12)16(22)10-24-15-4-3-13(19)9-14(15)18/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,23)
SMILES: Cc1ccc(OCC(=O)N(NC(=O)c2ccccc2)C(C)C)c(Br)c1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][N][O][C][C][=Branch1][C][=O][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][Br][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C19H21BrN2O3/c1-13(2)22(21-19(24)15-7-5-4-6-8-15)18(23)12-25-17-10-9-14(3)11-16(17)20/h4-11,13H,12H2,1-3H3,(H,21,24)
SMILES: CC(C)N(NC(=O)c1ccccc1)C(=O)COc1cc(F)c(F)cc1Br
SELFIES: [C][C][Branch1][C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br]
InChI: InChI=1S/C18H17BrF2N2O3/c1-11(2)23(22-18(25)12-6-4-3-5-7-12)17(24)10-26-16-9-15(21)14(20)8-13(16)19/h3-9,11H,10H2,1-2H3,(H,22,25)
SMILES: CC(C)N(NC(=O)c1ccccc1)C(=O)COc1c(F)cc(F)cc1Br
SELFIES: [C][C][Branch1][C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br]
InChI: InChI=1S/C18H17BrF2N2O3/c1-11(2)23(22-18(25)12-6-4-3-5-7-12)16(24)10-26-17-14(19)8-13(20)9-15(17)21/h3-9,11H,10H2,1-2H3,(H,22,25)
SMILES: CC(C)N(NC(=O)c1ccccc1)C(=O)COc1ccc(C#N)cc1Br
SELFIES: [C][C][Branch1][C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Br]
InChI: InChI=1S/C19H18BrN3O3/c1-13(2)23(22-19(25)15-6-4-3-5-7-15)18(24)12-26-17-9-8-14(11-21)10-16(17)20/h3-10,13H,12H2,1-2H3,(H,22,25)
SMILES: CC(C)N(NC(=O)c1ccccc1)C(=O)COc1ccc(F)cc1-c1ccc(F)cc1
SELFIES: [C][C][Branch1][C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C24H22F2N2O3/c1-16(2)28(27-24(30)18-6-4-3-5-7-18)23(29)15-31-22-13-12-20(26)14-21(22)17-8-10-19(25)11-9-17/h3-14,16H,15H2,1-2H3,(H,27,30)
SMILES: CC(C)N(NC(=O)c1ccccc1)C(=O)COc1ccc(F)cc1-c1ccccc1Cl
SELFIES: [C][C][Branch1][C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
InChI: InChI=1S/C24H22ClFN2O3/c1-16(2)28(27-24(30)17-8-4-3-5-9-17)23(29)15-31-22-13-12-18(26)14-20(22)19-10-6-7-11-21(19)25/h3-14,16H,15H2,1-2H3,(H,27,30)
SMILES: Cc1ccccc1-c1cc(F)ccc1OCC(=O)N(NC(=O)c1ccccc1)C(C)C
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
InChI: InChI=1S/C25H25FN2O3/c1-17(2)28(27-25(30)19-10-5-4-6-11-19)24(29)16-31-23-14-13-20(26)15-22(23)21-12-8-7-9-18(21)3/h4-15,17H,16H2,1-3H3,(H,27,30)
SMILES: COc1ccccc1-c1cc(F)ccc1OCC(=O)N(NC(=O)c1ccccc1)C(C)C
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
InChI: InChI=1S/C25H25FN2O4/c1-17(2)28(27-25(30)18-9-5-4-6-10-18)24(29)16-32-23-14-13-19(26)15-21(23)20-11-7-8-12-22(20)31-3/h4-15,17H,16H2,1-3H3,(H,27,30)
SMILES: CC(C)N(NC(=O)c1ccccc1)C(=O)COc1ccc(F)cc1-c1ccccc1F
SELFIES: [C][C][Branch1][C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C24H22F2N2O3/c1-16(2)28(27-24(30)17-8-4-3-5-9-17)23(29)15-31-22-13-12-18(25)14-20(22)19-10-6-7-11-21(19)26/h3-14,16H,15H2,1-2H3,(H,27,30)
SMILES: COc1ccc(-c2cc(F)ccc2OCC(=O)N(NC(=O)c2ccccc2)C(C)C)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H25FN2O4/c1-17(2)28(27-25(30)19-7-5-4-6-8-19)24(29)16-32-23-14-11-20(26)15-22(23)18-9-12-21(31-3)13-10-18/h4-15,17H,16H2,1-3H3,(H,27,30)