EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1[C@H](C(C([C@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)O
InChI: InChI=1S/C30H42O10/c1-16-23(33)24(34)25(35)26(39-16)40-18-5-10-28(15-31)20-6-9-27(2)19(17-3-4-22(32)38-14-17)8-12-30(27,37)21(20)7-11-29(28,36)13-18/h3-4,14-16,18-21,23-26,33-37H,5-13H2,1-2H3/t16?,18-,19+,20?,21?,23+,24?,25?,26+,27+,28-,29-,30-/m0/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CC[C@H]([C@@H]2C3=CC=C(C=C3)F)[C@H]4CCC(=O)N4
InChI: InChI=1S/C25H24F7NO2/c1-13(15-10-16(24(27,28)29)12-17(11-15)25(30,31)32)35-21-8-6-19(20-7-9-22(34)33-20)23(21)14-2-4-18(26)5-3-14/h2-5,10-13,19-21,23H,6-9H2,1H3,(H,33,34)/t13-,19+,20-,21+,23+/m1/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@H]3C2=O)C4=CC=C(C=C4)Br)C5=CN=CC=C5
InChI: InChI=1S/C22H16BrN3O3/c23-15-8-10-17(11-9-15)26-19(14-5-4-12-24-13-14)18-20(29-26)22(28)25(21(18)27)16-6-2-1-3-7-16/h1-13,18-20H/t18-,19-,20-/m1/s1
SMILES: C[C@@H]1CO[C@@H](O[C@@H]1/C=C/C(=C\CC[C@@H]([C@H](C=C)OC)O[Si](C)(C)C(C)(C)C)/C)C2=CC=C(C=C2)OC
InChI: InChI=1S/C30H48O5Si/c1-11-26(32-8)28(35-36(9,10)30(4,5)6)14-12-13-22(2)15-20-27-23(3)21-33-29(34-27)24-16-18-25(31-7)19-17-24/h11,13,15-20,23,26-29H,1,12,14,21H2,2-10H3/b20-15+,22-13-/t23-,26+,27-,28+,29+/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C2=CC(=CC=C2)OCC(=O)OC)O)O
InChI: InChI=1S/C22H30O6/c1-3-4-5-8-16(23)10-11-18-19(24)13-20(25)22(18)15-7-6-9-17(12-15)28-14-21(26)27-2/h6-7,9-12,16,18-19,22-24H,3-5,8,13-14H2,1-2H3/b11-10+/t16-,18-,19+,22+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)O[C@@H]2[C@H]([C@@H]([C@H]3[C@H](O2)COC(O3)(C)C)O)NC(=O)C
InChI: InChI=1S/C19H25NO7/c1-10(21)12-5-7-13(8-6-12)25-18-15(20-11(2)22)16(23)17-14(26-18)9-24-19(3,4)27-17/h5-8,14-18,23H,9H2,1-4H3,(H,20,22)/t14-,15+,16+,17-,18+/m1/s1
SMILES: CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=S)N[C@H]2CCCC[C@H]2C)N
InChI: InChI=1S/C21H37N5O2S/c1-5-6-12-26-18(22)17(19(27)24-20(26)28)25(13-11-14(2)3)21(29)23-16-10-8-7-9-15(16)4/h14-16H,5-13,22H2,1-4H3,(H,23,29)(H,24,27,28)/t15-,16+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.OS(=O)(=O)O.OS(=O)(=O)O
InChI: InChI=1S/C15H22N6O5S.C7H8O3S.2H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;1-6-2-4-7(5-3-6)11(8,9)10;2*1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2-5H,1H3,(H,8,9,10);2*(H2,1,2,3,4)/p+1/t7-,8+,10+,11+,14+,27?;;;/m0.../s1
SMILES: CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)(/C(=C2)/C(OC)OC)OC)C)OC(=O)/C=C/C4=CN(C=N4)C)C(C)C
InChI: InChI=1S/C30H42N2O6/c1-19(2)22-11-9-20(3)23-16-26(37-27(33)12-10-21-17-32(5)18-31-21)29(4)13-14-30(36-8,38-29)25(15-24(22)23)28(34-6)35-7/h9-10,12-15,17-19,22-24,26,28H,11,16H2,1-8H3/b12-10+,25-15-/t22-,23+,24-,26+,29+,30-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@]3([C@@]2([C@@]4(N=C3N)OCCS4)C#N)C#N
InChI: InChI=1S/C16H14N4OS/c1-10-2-4-11(5-3-10)12-14(8-17)13(19)20-16(15(12,14)9-18)21-6-7-22-16/h2-5,12H,6-7H2,1H3,(H2,19,20)/t12-,14+,15+,16+/m0/s1
SMILES: C[C@]12CC(=CC(=O)[C@@H]1CC[C@@H]3[C@]24CCC(=O)C(C3)C4)OC
InChI: InChI=1S/C18H24O3/c1-17-10-13(21-2)8-16(20)14(17)4-3-12-7-11-9-18(12,17)6-5-15(11)19/h8,11-12,14H,3-7,9-10H2,1-2H3/t11?,12-,14-,17-,18+/m0/s1
SMILES: CC1=C([C@@H]([C@H](CC1)O[Si](C)(C)C(C)(C)C)C=O)C=O
InChI: InChI=1S/C15H26O3Si/c1-11-7-8-14(13(10-17)12(11)9-16)18-19(5,6)15(2,3)4/h9-10,13-14H,7-8H2,1-6H3/t13-,14-/m0/s1
SMILES: CC(C)(C)C(=O)[C@@H]1[C@H](C2([C@@H]3N1C4=C(C=C3)C=C(C=C4)F)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)OC
InChI: InChI=1S/C32H28FNO4/c1-31(2,3)30(37)27-26(18-9-13-21(38-4)14-10-18)32(28(35)22-7-5-6-8-23(22)29(32)36)25-16-11-19-17-20(33)12-15-24(19)34(25)27/h5-17,25-27H,1-4H3/t25-,26-,27+/m1/s1
SMILES: CC[C@H]1C[C@H]([C@@]2(C(=O)C(=O)N3CCCCC3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C[C@@H](C[C@@H]([C@H]1O2)C)C)\C)CC)O)C)/C(=C/[C@]4(CC[C@H]([C@@H](C4)OC)O)C)/C)O)C
InChI: InChI=1S/C45H73NO10/c1-11-32-21-27(4)19-26(3)20-28(5)40-33(12-2)22-30(7)45(53,56-40)41(50)42(51)46-18-14-13-15-34(46)43(52)55-39(31(8)36(48)23-37(32)49)29(6)24-44(9)17-16-35(47)38(25-44)54-10/h21,24,26,28,30-36,38-40,47-48,53H,11-20,22-23,25H2,1-10H3/b27-21+,29-24+/t26-,28-,30+,31+,32+,33-,34?,35+,36-,38+,39+,40+,44+,45+/m0/s1
SMILES: COC1=CC=CC=C1NC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C20H24N2O6/c1-27-16-9-5-4-8-15(16)21-17(23)12-28-18(24)10-11-22-19(25)13-6-2-3-7-14(13)20(22)26/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,21,23)/t13-,14-/m1/s1
SMILES: C=C=C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=CC=C4)SSC5=NC6=CC=CC=C6S5
InChI: InChI=1S/C35H27N3O4S3/c1-2-27(34(41)42-31(24-16-8-4-9-17-24)25-18-10-5-11-19-25)38-32(40)30(37-29(39)22-23-14-6-3-7-15-23)33(38)44-45-35-36-26-20-12-13-21-28(26)43-35/h3-21,30-31,33H,1,22H2,(H,37,39)/t30-,33-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)OC
InChI: InChI=1S/C16H27N3O4/c1-11-5-3-4-6-12(11)18-14(20)10-19-8-7-17-16(22)13(19)9-15(21)23-2/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,20)/t11-,12+,13+/m1/s1
SMILES: CC1=CC(=C(C=C1)OC2=CC=CC(=C2C#N)C#N)C3=[NH+][C@H]4C=CC=C[C@@H]4N3
InChI: InChI=1S/C22H16N4O/c1-14-9-10-21(27-20-8-4-5-15(12-23)17(20)13-24)16(11-14)22-25-18-6-2-3-7-19(18)26-22/h2-11,18-19H,1H3,(H,25,26)/p+1/t18-,19-/m0/s1
SMILES: CCCCCCCCOC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C
InChI: InChI=1S/C26H40O2/c1-3-4-5-6-7-8-17-28-20-10-12-21-19(18-20)9-11-23-22(21)15-16-26(2)24(23)13-14-25(26)27/h10,12,18,22-25,27H,3-9,11,13-17H2,1-2H3/t22-,23-,24+,25+,26+/m1/s1
SMILES: CCOC#C[C@@]1(C(=CC(=O)[C@@H]2[C@]1([C@@H]3[C@H]4CC(=O)O[C@H]4CC3=C(C2)O[Si](C)(C)C(C)(C)C)C)C)O
InChI: InChI=1S/C27H38O6Si/c1-9-31-11-10-27(30)16(2)12-20(28)19-15-22(33-34(7,8)25(3,4)5)17-13-21-18(14-23(29)32-21)24(17)26(19,27)6/h12,18-19,21,24,30H,9,13-15H2,1-8H3/t18-,19+,21-,24-,26-,27-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C4=C(C)C)C
InChI: InChI=1S/C20H21NO2/c1-10(2)16-14-7-8-15(16)18-17(14)19(22)21(20(18)23)13-6-5-11(3)12(4)9-13/h5-9,14-15,17-18H,1-4H3/t14-,15+,17+,18-
SMILES: CC(C)C1=CC=C(C=C1)[C@@H]2[C@H]([C@@](NC(=O)N2)(C(F)(F)F)O)C(=O)C
InChI: InChI=1S/C16H19F3N2O3/c1-8(2)10-4-6-11(7-5-10)13-12(9(3)22)15(24,16(17,18)19)21-14(23)20-13/h4-8,12-13,24H,1-3H3,(H2,20,21,23)/t12-,13-,15+/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C(=CC=C7)OC)O)C(=O)N(C5=O)C8=CC=C(C=C8)C9=NC1=CC=CC=C1O9
InChI: InChI=1S/C47H38N4O7/c1-26-15-19-29(20-16-26)49-51-44(54)35-25-34-31(40(33-11-8-14-38(57-2)41(33)52)47(35,46(51)56)28-9-4-3-5-10-28)23-24-32-39(34)45(55)50(43(32)53)30-21-17-27(18-22-30)42-48-36-12-6-7-13-37(36)58-42/h3-23,32,34-35,39-40,49,52H,24-25H2,1-2H3/t32-,34+,35-,39-,40+,47+/m0/s1
SMILES: COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C20H23NO5S/c1-26-20(25)16-12-5-3-2-4-6-13(12)27-18(16)21-17(22)14-10-7-8-11(9-10)15(14)19(23)24/h7-8,10-11,14-15H,2-6,9H2,1H3,(H,21,22)(H,23,24)/t10-,11+,14+,15+/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NC2=CC=CC=C2O)C3=CC=C(C=C3)C(=O)OC)CCCO
InChI: InChI=1S/C25H29NO7/c1-3-32-25-18(7-6-14-27)19(16-10-12-17(13-11-16)24(30)31-2)15-22(33-25)23(29)26-20-8-4-5-9-21(20)28/h4-5,8-13,15,18-19,25,27-28H,3,6-7,14H2,1-2H3,(H,26,29)/t18-,19+,25+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H](C(O2)Cl)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C26H21ClO7/c27-23-22(34-26(30)19-14-8-3-9-15-19)21(33-25(29)18-12-6-2-7-13-18)20(32-23)16-31-24(28)17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21-,22+,23?/m1/s1
SMILES: CC1(OC[C@H](O1)[C@@H]2[C@H]3[C@@H]([C@@](O2)(N=O)Cl)OC(O3)(C)C)C
InChI: InChI=1S/C12H18ClNO6/c1-10(2)16-5-6(17-10)7-8-9(12(13,14-15)19-7)20-11(3,4)18-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9-,12-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](N2C(=NC(=N2)C(F)(F)F)NC1=O)C3=CC=CC=C3
InChI: InChI=1S/C15H13F3N4O3/c1-2-25-12(24)9-10(8-6-4-3-5-7-8)22-14(19-11(9)23)20-13(21-22)15(16,17)18/h3-7,9-10H,2H2,1H3,(H,19,20,21,23)/t9-,10+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)/C=C/C3=CC(=C(C=C3)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H34O16/c1-17(34)41-16-28-30(49-29(40)14-8-23-7-13-26(43-19(3)36)27(15-23)44-20(4)37)31(45-21(5)38)32(46-22(6)39)33(48-28)47-25-11-9-24(10-12-25)42-18(2)35/h7-15,28,30-33H,16H2,1-6H3/b14-8+/t28-,30-,31+,32-,33-/m1/s1
SMILES: CC1=C([C@@H]([C@H]2C(=N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)N4CCOCC4
InChI: InChI=1S/C24H29ClN2O5/c1-13-19(23(30)27-5-7-32-8-6-27)20(14-9-15(25)22(29)18(10-14)31-4)21-16(26-13)11-24(2,3)12-17(21)28/h9-10,20-21,29H,5-8,11-12H2,1-4H3/t20-,21-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@@H]([C@@H](O2)COC(=O)C3=CC=CC=C3)O)O
InChI: InChI=1S/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)/t11-,12+,13-,15-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C35C(O5)C[C@@]2([C@@]16C(=O)C(=C(O6)C7=CC=CO7)Cl)C)C
InChI: InChI=1S/C27H27ClO5/c1-14-11-18-17-7-6-15-12-16(29)8-9-24(15,2)27(17)20(32-27)13-25(18,3)26(14)23(30)21(28)22(33-26)19-5-4-10-31-19/h4-5,8-10,12,14,17-18,20H,6-7,11,13H2,1-3H3/t14-,17+,18+,20?,24+,25+,26+,27?/m1/s1
SMILES: C1[C@H]2[C@@H](CS1(=O)=O)SC(=NC(=O)COCC(=O)O)N2C3=CC(=CC=C3)F
InChI: InChI=1S/C15H15FN2O6S2/c16-9-2-1-3-10(4-9)18-11-7-26(22,23)8-12(11)25-15(18)17-13(19)5-24-6-14(20)21/h1-4,11-12H,5-8H2,(H,20,21)/t11-,12+/m0/s1
SMILES: CCCCCOC(=O)[C@H]1[C@H]2C=C[C@]3([C@@H]1C(=O)N(C3)C4=CC=C(C=C4)OC)O2
InChI: InChI=1S/C21H25NO5/c1-3-4-5-12-26-20(24)17-16-10-11-21(27-16)13-22(19(23)18(17)21)14-6-8-15(25-2)9-7-14/h6-11,16-18H,3-5,12-13H2,1-2H3/t16-,17+,18+,21+/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C=C)O
InChI: InChI=1S/C41H33ClN2O5/c1-3-24-12-15-28(16-13-24)43-37(46)31-18-17-30-32(35(31)39(43)48)22-33-38(47)44(29-11-7-10-27(42)21-29)40(49)41(33,26-8-5-4-6-9-26)36(30)25-14-19-34(45)23(2)20-25/h3-17,19-21,31-33,35-36,45H,1,18,22H2,2H3/t31-,32+,33-,35-,36-,41+/m0/s1
SMILES: CCO[C@H]1C[C@H](O[C@@]1(C[Se]C2=CC=CC=C2)OCC)C3=CC=CC=C3
InChI: InChI=1S/C21H26O3Se/c1-3-22-20-15-19(17-11-7-5-8-12-17)24-21(20,23-4-2)16-25-18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20-,21+/m0/s1
SMILES: C[C@@H]1C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@@](O4)(O/C=C\[C@H]([C@H]([C@H]([C@H]([C@@H]([C@H]([C@@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN(C)C)/C
InChI: InChI=1S/C40H54N2O12/c1-18-13-12-14-19(2)39(50)41-30-25(17-42(9)10)34(47)27-28(35(30)48)33(46)23(6)37-29(27)38(49)40(8,54-37)52-16-15-26(51-11)20(3)36(53-24(7)43)22(5)32(45)21(4)31(18)44/h12-16,18,20-22,26,31-32,36,44-48H,17H2,1-11H3,(H,41,50)/b13-12?,16-15-,19-14-/t18-,20-,21+,22+,26-,31-,32-,36-,40-/m1/s1
SMILES: C[C@@H]1C[C@H]1C(=O)OCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F
InChI: InChI=1S/C14H13F2NO5/c1-7-4-9(7)13(19)20-6-12(18)17-8-2-3-10-11(5-8)22-14(15,16)21-10/h2-3,5,7,9H,4,6H2,1H3,(H,17,18)/t7-,9-/m1/s1
SMILES: C[C@@H]1C[C@@H](O[C@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3[C@@H]2OS(=O)(=O)NC)[C@H]([C@H]([C@@H]5[C@@]4(CC[C@H]([C@@H]5O)OS(=O)(=O)O)C)O)OS(=O)(=O)O)C)[C@@H](C)C(C)C
InChI: InChI=1S/C29H51NO14S3/c1-13(2)15(4)18-12-14(3)20-26(41-18)27(43-45(33,34)30-7)21-19-16(8-10-29(20,21)6)28(5)11-9-17(42-46(35,36)37)23(31)22(28)24(32)25(19)44-47(38,39)40/h13-27,30-32H,8-12H2,1-7H3,(H,35,36,37)(H,38,39,40)/t14-,15+,16+,17-,18-,19-,20+,21-,22-,23+,24+,25-,26+,27+,28-,29-/m1/s1