EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)OC5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)O
InChI: InChI=1S/C27H30O16/c28-7-17-20(34)22(36)24(38)26(41-17)43-25-23(37)21(35)18(8-29)42-27(25)39-10-4-13(32)19-14(33)6-15(40-16(19)5-10)9-1-2-11(30)12(31)3-9/h1-6,17-18,20-32,34-38H,7-8H2/t17-,18-,20+,21+,22+,23+,24-,25-,26?,27-/m1/s1
SMILES: C[C@]12CCC[C@@]3([C@H]1C[C@H]4[C@@H](C2)OC(=O)[C@@H]4CN5CCC(CC5)CC6=CC=CC=C6)CO3
InChI: InChI=1S/C27H37NO3/c1-26-10-5-11-27(18-30-27)24(26)15-21-22(25(29)31-23(21)16-26)17-28-12-8-20(9-13-28)14-19-6-3-2-4-7-19/h2-4,6-7,20-24H,5,8-18H2,1H3/t21-,22-,23-,24+,26-,27+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C/C(=N\O)/[C@@]4([C@@]3(CC[C@@H](C4)O)C)O
InChI: InChI=1S/C19H31NO4/c1-17-7-6-14-12(13(17)3-4-16(17)22)9-15(20-24)19(23)10-11(21)5-8-18(14,19)2/h11-14,16,21-24H,3-10H2,1-2H3/b20-15+/t11-,12-,13-,14-,16-,17-,18+,19-/m0/s1
SMILES: C/C=C(/C)\C(=O)OC(C)(C)[C@@H]1[C@@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)O
InChI: InChI=1S/C19H20O6/c1-5-10(2)18(22)25-19(3,4)17-15(21)14-12(23-17)8-6-11-7-9-13(20)24-16(11)14/h5-9,15,17,21H,1-4H3/b10-5-/t15-,17+/m1/s1
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N(CC3=COC=C3)[C@@H]4C=C([C@H]5[C@@H]([C@H]4O)OC6=CC=CC=C56)C(=O)NCCO
InChI: InChI=1S/C30H26N2O8/c33-11-10-31-28(35)20-14-22(26(34)27-25(20)19-6-2-4-8-24(19)39-27)32(15-17-9-12-38-16-17)29(36)21-13-18-5-1-3-7-23(18)40-30(21)37/h1-9,12-14,16,22,25-27,33-34H,10-11,15H2,(H,31,35)/t22-,25+,26+,27+/m1/s1
SMILES: CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=C(O3)[C@H]4C[C@H]4C
InChI: InChI=1S/C21H22N4O3/c1-3-10-25-21(27)16-7-5-4-6-15(16)19(24-25)20(26)23-22-12-14-8-9-18(28-14)17-11-13(17)2/h4-9,12-13,17H,3,10-11H2,1-2H3,(H,23,26)/b22-12-/t13-,17+/m1/s1
SMILES: CC(C)OC(=O)[C@H]1[C@@H]2CC[C@@H](N2C)C[C@@H]1OC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI: InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3/t20-,21+,22+,23+/m1/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCCOCOC)[C@@H](C3)O)O)C
InChI: InChI=1S/C31H52O5/c1-22(9-6-16-30(2,3)34)26-14-15-27-24(10-7-17-31(26,27)4)13-12-23-19-28(32)25(29(33)20-23)11-8-18-36-21-35-5/h11-13,22,26-29,32-34H,6-10,14-21H2,1-5H3/b23-12?,24-13+,25-11?/t22-,26-,27+,28-,29-,31-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=NCCOC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CC[C@H]34
InChI: InChI=1S/C36H38N2O4/c1-3-36(41)18-16-30-26-13-11-22-21-23(12-14-24(22)25(26)15-17-35(30,36)2)37-19-20-42-34(40)29-9-6-8-28-32(29)38-31-10-5-4-7-27(31)33(28)39/h1,4-10,21,24-26,30,41H,11-20H2,2H3,(H,38,39)/t24-,25+,26+,30-,35-,36-/m0/s1
SMILES: C1=CC=C2C(=C1)[C@H]3[C@H](O3)C4=C2C5=CC=CC=C5C6=CC=CC=C64
InChI: InChI=1S/C22H14O/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)17-11-5-6-12-18(17)21-22(20)23-21/h1-12,21-22H/t21-,22+/m0/s1
SMILES: C[C@]1([C@H]2NC(=S)N(N2C(=S)N1)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C17H15N5O2S2/c1-17(11-7-9-13(10-8-11)22(23)24)14-18-15(25)20(21(14)16(26)19-17)12-5-3-2-4-6-12/h2-10,14H,1H3,(H,18,25)(H,19,26)/t14-,17+/m0/s1
SMILES: CN1C2=C(C(=CC=C2)OC(=O)N(C)C)[C@]3(C1=O)CCOC(=O)[C@]3(CC=C)C4=CC=CC=C4COC5=CC=C(C=C5)OC
InChI: InChI=1S/C33H34N2O7/c1-6-18-32(25-11-8-7-10-22(25)21-41-24-16-14-23(39-5)15-17-24)30(37)40-20-19-33(32)28-26(35(4)29(33)36)12-9-13-27(28)42-31(38)34(2)3/h6-17H,1,18-21H2,2-5H3/t32-,33-/m0/s1
SMILES: C[C@@]1([C@@H]([C@H](C2=CC=CC=C2O1)N=C(NC#N)NC3=CC=C(C=C3)Cl)O)C(OC)OC
InChI: InChI=1S/C21H23ClN4O4/c1-21(19(28-2)29-3)18(27)17(15-6-4-5-7-16(15)30-21)26-20(24-12-23)25-14-10-8-13(22)9-11-14/h4-11,17-19,27H,1-3H3,(H2,24,25,26)/t17-,18+,21+/m0/s1
SMILES: CC1C[C@]2(CC(C(=O)O2)C)OC3C1[C@]4(CC[C@@]56C[C@@]5(C(CCC6C4(C3)C)C(C)(C)O)CCC(=O)OC)C
InChI: InChI=1S/C31H48O6/c1-18-14-31(15-19(2)25(33)37-31)36-20-16-28(6)22-9-8-21(26(3,4)34)29(11-10-23(32)35-7)17-30(22,29)13-12-27(28,5)24(18)20/h18-22,24,34H,8-17H2,1-7H3/t18?,19?,20?,21?,22?,24?,27-,28?,29-,30+,31+/m1/s1
SMILES: CN1C[C@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=NN=N5
InChI: InChI=1S/C17H20N6/c1-22-8-11(9-23-10-19-20-21-23)5-14-13-3-2-4-15-17(13)12(7-18-15)6-16(14)22/h2-4,7,10-11,14,16,18H,5-6,8-9H2,1H3/t11-,14+,16+/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
InChI: InChI=1S/C22H40N2O3S/c1-2-3-4-5-6-7-8-9-10-13-16-27-20(25)15-12-11-14-19-21-18(17-28-19)23-22(26)24-21/h18-19,21H,2-17H2,1H3,(H2,23,24,26)/t18-,19-,21-/m0/s1
SMILES: C[C@H](/C=C/C1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]([C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
InChI: InChI=1S/C29H42O2/c1-19(9-10-20-7-5-4-6-8-20)23-11-12-24-22-18-27(31)26-17-21(30)13-15-29(26,3)25(22)14-16-28(23,24)2/h4-10,19,21-27,30-31H,11-18H2,1-3H3/b10-9+/t19-,21-,22+,23-,24+,25+,26+,27+,28-,29-/m1/s1
SMILES: CC(C)OP(=O)([C@@]1([C@@H](C=CCS1)O[Si](C)(C)C)SC)OC(C)C
InChI: InChI=1S/C15H31O4PS2Si/c1-12(2)17-20(16,18-13(3)4)15(21-5)14(10-9-11-22-15)19-23(6,7)8/h9-10,12-14H,11H2,1-8H3/t14-,15+/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C29H21Cl2NO5/c1-14(2)15-7-9-16(10-8-15)24-22-23(28(36)32(27(22)35)17-11-12-20(30)21(31)13-17)29(37-24)25(33)18-5-3-4-6-19(18)26(29)34/h3-14,22-24H,1-2H3/t22-,23+,24+/m1/s1
SMILES: C1=CN(C(=O)C(=C1N)F)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C10H13FN2O5/c11-6-4(12)1-2-13(9(6)17)10-8(16)7(15)5(3-14)18-10/h1-2,5,7-8,10,14-16H,3,12H2/t5-,7-,8-,10-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[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)C(=O)OC
InChI: InChI=1S/C36H31ClN2O8/c1-3-47-27-14-8-13-24(30(27)40)29-22-15-16-23-28(33(43)39(31(23)41)35(45)46-2)25(22)18-26-32(42)38(21-12-7-11-20(37)17-21)34(44)36(26,29)19-9-5-4-6-10-19/h4-15,17,23,25-26,28-29,40H,3,16,18H2,1-2H3/t23-,25+,26-,28-,29+,36+/m0/s1
SMILES: C[C@]12CCC3(C[C@H]1CC[C@@H]4[C@H]2CC[C@@]5([C@H]4CC[C@@H]5O)C)OCCO3
InChI: InChI=1S/C21H34O3/c1-19-9-10-21(23-11-12-24-21)13-14(19)3-4-15-16-5-6-18(22)20(16,2)8-7-17(15)19/h14-18,22H,3-13H2,1-2H3/t14-,15+,16+,17-,18+,19+,20-/m1/s1
SMILES: COC1=CC2=C(C=C1)[C@@H]3[C@H](CO2)C4=CC(=C(C=C4N3S(=O)(=O)C5=CC=CC=C5)OCC6=CC=CC=C6)O
InChI: InChI=1S/C29H25NO6S/c1-34-20-12-13-22-27(14-20)36-18-24-23-15-26(31)28(35-17-19-8-4-2-5-9-19)16-25(23)30(29(22)24)37(32,33)21-10-6-3-7-11-21/h2-16,24,29,31H,17-18H2,1H3/t24-,29-/m1/s1
SMILES: C=CCCC[C@@H](C=C[C@H]1[C@@H](CC(=O)[C@@H]1CC=CCCCC(=O)O)O)O
InChI: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h2,4,7,12-13,15-17,19,21,23H,1,3,5-6,8-11,14H2,(H,24,25)/t15-,16+,17+,19+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC)CO)O)O
InChI: InChI=1S/C28H32O14/c1-36-16-9-14(10-17(37-2)23(16)32)5-7-21(30)41-27-26(35)25(34)20(13-29)40-28(27)42-22(31)8-6-15-11-18(38-3)24(33)19(12-15)39-4/h5-12,20,25-29,32-35H,13H2,1-4H3/b7-5+,8-6+/t20-,25-,26+,27-,28+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C(=NCCN3C(=O)O2)[C@@H](C[C@@]4([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC/C(=N\O)/CO4)C)O[C@@H]5[C@H]([C@@H](C[C@@H](O5)C)N(C)C)O)C)C)C)C
InChI: InChI=1S/C35H58N4O10/c1-11-25-35(8)29-20(4)26(36-12-13-39(29)33(42)49-35)18(2)15-34(7)30(48-32-27(40)24(38(9)10)14-19(3)46-32)21(5)28(22(6)31(41)47-25)44-16-23(37-43)17-45-34/h18-22,24-25,27-30,32,40,43H,11-17H2,1-10H3/b37-23+/t18-,19+,20+,21+,22-,24-,25-,27+,28+,29-,30-,32-,34-,35-/m1/s1
SMILES: CC(C)(C)OC(=O)C[C@H]1CCC[C@H]([C@H]1[N+](=O)[O-])C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C19H25NO6/c1-19(2,3)26-17(21)10-13-5-4-6-14(18(13)20(22)23)12-7-8-15-16(9-12)25-11-24-15/h7-9,13-14,18H,4-6,10-11H2,1-3H3/t13-,14+,18+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=S)N2[C@@]([C@@H](C(=N2)C)CC(C)C)(C)O
InChI: InChI=1S/C17H24N2OS/c1-11(2)10-15-13(4)18-19(17(15,5)20)16(21)14-8-6-12(3)7-9-14/h6-9,11,15,20H,10H2,1-5H3/t15-,17+/m1/s1
SMILES: CCCCCCCCCCCCCCCCS[C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C50H74N2O8S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-33-61-47-36-45(51-59-37-38-24-26-40(27-25-38)52(56)57)43-34-39(22-17-19-30-53)42(23-18-20-31-54)48-44-35-41(55)28-29-46(44)60-50(47,49(43)48)58-32-4-2/h4,24-29,34-35,39,42,47-49,53-55H,2-3,5-23,30-33,36-37H2,1H3/t39-,42+,47-,48+,49+,50+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CSC6=CC=C(C=C6)C(=O)O
InChI: InChI=1S/C42H42N2O8S2/c1-27-8-22-36(23-9-27)54(49,50)44-37(24-29-6-4-3-5-7-29)40(46)43-34-18-14-33(15-19-34)42-51-38(26-53-35-20-16-32(17-21-35)41(47)48)28(2)39(52-42)31-12-10-30(25-45)11-13-31/h3-23,28,37-39,42,44-45H,24-26H2,1-2H3,(H,43,46)(H,47,48)/t28-,37+,38+,39+,42+/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CC[C@]56[C@@]3([C@H]5C(=O)C=C6)C)O
InChI: InChI=1S/C24H32O6/c1-20(2)29-17-9-13-12-5-7-23-8-6-14(26)19(23)22(23,4)18(12)15(27)10-21(13,3)24(17,30-20)16(28)11-25/h6,8,12-13,15,17-19,25,27H,5,7,9-11H2,1-4H3/t12-,13-,15-,17+,18+,19+,21-,22-,23+,24+/m0/s1
SMILES: CCCN(C1CCN(CC1)C[C@H]2CN(C[C@@H]2C3=CC=CC=C3)C(=O)C4CCCCC4)C5=CC=CC=N5
InChI: InChI=1S/C31H44N4O/c1-2-19-35(30-15-9-10-18-32-30)28-16-20-33(21-17-28)22-27-23-34(31(36)26-13-7-4-8-14-26)24-29(27)25-11-5-3-6-12-25/h3,5-6,9-12,15,18,26-29H,2,4,7-8,13-14,16-17,19-24H2,1H3/t27-,29+/m0/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6([C@H]5CC4=C(C3)C)C)C)N(C1)CCOCCOC
InChI: InChI=1S/C33H51NO4/c1-21-16-30-31(34(20-21)12-13-37-15-14-36-5)23(3)33(38-30)11-9-26-27-7-6-24-17-25(35)8-10-32(24,4)29(27)18-28(26)22(2)19-33/h17,21,23,26-27,29-31H,6-16,18-20H2,1-5H3/t21-,23+,26-,27-,29-,30+,31-,32-,33-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=C(C3=CC=CC=C3N=C2C)C
InChI: InChI=1S/C21H26N2O3/c1-13-8-4-6-10-17(13)23-19(24)12-26-21(25)20-14(2)16-9-5-7-11-18(16)22-15(20)3/h5,7,9,11,13,17H,4,6,8,10,12H2,1-3H3,(H,23,24)/t13-,17-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C19H22Cl2O6/c1-4-26-17(23)15-13(22)9-19(3,25)16(18(24)27-5-2)14(15)10-6-7-11(20)12(21)8-10/h6-8,14-16,25H,4-5,9H2,1-3H3/t14-,15+,16-,19+/m1/s1
SMILES: CC(=C)[C@]12CC[C@@H](CC1=CCC3C2CC[C@]4(C3CC[C@@H]4O)C)O
InChI: InChI=1S/C21H32O2/c1-13(2)21-11-8-15(22)12-14(21)4-5-16-17-6-7-19(23)20(17,3)10-9-18(16)21/h4,15-19,22-23H,1,5-12H2,2-3H3/t15-,16?,17?,18?,19-,20-,21+/m0/s1
SMILES: CC1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl)O
InChI: InChI=1S/C24H21Cl2N3O7/c1-12-10-29(24(33)28-20(12)27)21-18(30)19(36-23(32)14-4-8-16(26)9-5-14)17(35-21)11-34-22(31)13-2-6-15(25)7-3-13/h2-10,17-19,21,30H,11H2,1H3,(H2,27,28,33)/t17-,18?,19-,21-/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CC4=CC=C(C=C4)OC)N)O)O
InChI: InChI=1S/C21H22N6O5/c1-3-23-20(30)17-15(28)16(29)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-6-11-4-7-12(31-2)8-5-11/h4-5,7-8,10,15-17,21,28-29H,3H2,1-2H3,(H,23,30)(H2,22,25,26)/t15-,16+,17-,21+/m0/s1
SMILES: [2H]CC(C)(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC([2H])([2H])[2H]
InChI: InChI=1S/C10H20O7/c1-10(2,15-3)17-9-8(14)7(13)6(12)5(4-11)16-9/h5-9,11-14H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1/i1D,3D3/t5-,6-,7+,8-,9-,10?
SMILES: CS(=O)(=O)N1[C@H]2CCC[C@@H]([C@]2(C3=CC=CC=C31)CC=C)O
InChI: InChI=1S/C16H21NO3S/c1-3-11-16-12-7-4-5-8-13(12)17(21(2,19)20)14(16)9-6-10-15(16)18/h3-5,7-8,14-15,18H,1,6,9-11H2,2H3/t14-,15-,16-/m0/s1
SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C31H47N5O14/c1-14(32)27(41)34-23(29(43)35-11-7-9-20(35)28(42)36-12-8-10-21(36)30(44)45)15(2)47-31-24(33-16(3)37)26(49-19(6)40)25(48-18(5)39)22(50-31)13-46-17(4)38/h14-15,20-26,31H,7-13,32H2,1-6H3,(H,33,37)(H,34,41)(H,44,45)/t14-,15+,20-,21-,22+,23-,24+,25-,26+,31-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)CC[C@@H](C3=CC=C(C=C3)F)O)C4=C(C=C(C=C4)C5=CC(=CC=C5)O)S(=O)(=O)CC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C37H38FNO10S/c38-24-12-9-21(10-13-24)29(42)16-15-28-33(39(37(28)46)25-6-2-1-3-7-25)27-14-11-23(22-5-4-8-26(41)17-22)18-32(27)50(47,48)20-31-35(44)36(45)34(43)30(19-40)49-31/h1-14,17-18,28-31,33-36,40-45H,15-16,19-20H2/t28-,29+,30-,31?,33-,34-,35+,36+/m1/s1
SMILES: CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.COC1O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=C(N=C43)Cl)N)COP5OP(=O)(OP(=O)(O5)[O-])[O-]
InChI: InChI=1S/C12H15ClN5O12P3.2C12H27N/c1-23-12-26-6-4(2-24-31-28-32(19,20)30-33(21,22)29-31)25-10(7(6)27-12)18-3-15-5-8(14)16-11(13)17-9(5)18;2*1-4-7-10-13(11-8-5-2)12-9-6-3/h3-4,6-7,10,12H,2H2,1H3,(H,19,20)(H,21,22)(H2,14,16,17);2*4-12H2,1-3H3/t4-,6-,7-,10-,12?;;/m1../s1
SMILES: C[C@H](C=C=C(C(C)(C)O[Si](C)(C)C(C)(C)C)S(=O)C1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2(CCC[C@@H]3OC(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C37H52O4SSi/c1-27(30-23-24-31-32(21-16-26-37(30,31)7)40-34(38)28-17-12-10-13-18-28)22-25-33(42(39)29-19-14-11-15-20-29)36(5,6)41-43(8,9)35(2,3)4/h10-15,17-20,22,27,30-32H,16,21,23-24,26H2,1-9H3/t25?,27-,30-,31+,32+,37-,42?/m1/s1
SMILES: C/C(=C\COC1=C(C=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32)Cl)/[C@@H]4[C@H]([C@@H]([C@@H](O4)OCC5=C(C=C(C=C5)/C=C(\C)/C(=O)NC6[C@@H]([C@H]([C@@H]7[C@H]([C@@H]6O)OCO7)O)O)O)O)O
InChI: InChI=1S/C45H51ClN2O12/c1-24(15-16-56-34-14-12-27(18-32(34)46)20-48(3)21-29-9-6-8-28-7-4-5-10-31(28)29)41-39(53)40(54)45(60-41)57-22-30-13-11-26(19-33(30)49)17-25(2)44(55)47-35-36(50)38(52)43-42(37(35)51)58-23-59-43/h4-15,17-19,35-43,45,49-54H,16,20-23H2,1-3H3,(H,47,55)/b24-15+,25-17+/t35?,36-,37+,38+,39-,40-,41+,42-,43+,45+/m0/s1
SMILES: C[C@@]1([C@@H](N2[C@H](S1(=O)=O)/C(=C\C3=CC=CC=N3)/C2=O)C(=O)O)COC(=O)CC4=CC=CC=C4
InChI: InChI=1S/C22H20N2O7S/c1-22(13-31-17(25)11-14-7-3-2-4-8-14)18(21(27)28)24-19(26)16(20(24)32(22,29)30)12-15-9-5-6-10-23-15/h2-10,12,18,20H,11,13H2,1H3,(H,27,28)/b16-12-/t18-,20+,22-/m0/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
InChI: InChI=1S/C13H15Cl2NO2S/c14-10-3-4-11(15)13(7-10)19(17,18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,16H,1-2,5-6H2/t8-,9-,12-/m0/s1
SMILES: C[C@@]12CCC[C@]([C@@H]1CCC(=C)[C@@H]2CCC3=C(OC=C3)C=O)(C)C(=O)OC
InChI: InChI=1S/C22H30O4/c1-15-6-9-19-21(2,11-5-12-22(19,3)20(24)25-4)17(15)8-7-16-10-13-26-18(16)14-23/h10,13-14,17,19H,1,5-9,11-12H2,2-4H3/t17-,19+,21-,22-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)C(=O)CC5=CC(=C(C=C5)OC)OC)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=C(C=C7)C8=CC=CC=C8)C
InChI: InChI=1S/C56H59NO6/c1-38-12-11-30-55(2)50(48-27-20-39(32-46(58)26-19-38)33-49(48)54(60)44-24-22-42(23-25-44)41-13-6-5-7-14-41)29-31-56(55,61)37-57(36-45-17-10-16-43-15-8-9-18-47(43)45)53(59)35-40-21-28-51(62-3)52(34-40)63-4/h5-10,12-18,20-25,27-28,33-34,46,50,58,61H,11,19,26,29-32,35-37H2,1-4H3/t46-,50-,55-,56+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCC[C@@H]5[C@@H]4CCCC5
InChI: InChI=1S/C24H27N3O2S/c1-16-8-10-17(11-9-16)19-14-30-23-22(19)24(29)26(15-25-23)13-21(28)27-12-4-6-18-5-2-3-7-20(18)27/h8-11,14-15,18,20H,2-7,12-13H2,1H3/t18-,20+/m1/s1
SMILES: CC(=O)N(C)[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI: InChI=1S/C15H25NO6/c1-8(17)16(6)10-11(9-7-18-14(2,3)20-9)19-13-12(10)21-15(4,5)22-13/h9-13H,7H2,1-6H3/t9-,10+,11-,12-,13-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@H](NC3=C(C=CC(=C23)C(=O)O)Cl)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C20H16ClNO4/c21-14-6-5-13(20(23)24)17-11-2-1-3-12(11)18(22-19(14)17)10-4-7-15-16(8-10)26-9-25-15/h1-2,4-8,11-12,18,22H,3,9H2,(H,23,24)/t11-,12+,18-/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=CC3=C(C=C2)OC4=C3CCCC4)C(=O)O
InChI: InChI=1S/C20H23NO4/c22-19(14-6-1-2-7-15(14)20(23)24)21-12-9-10-18-16(11-12)13-5-3-4-8-17(13)25-18/h9-11,14-15H,1-8H2,(H,21,22)(H,23,24)/t14-,15-/m1/s1
SMILES: CCOC(=O)CC(C1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3)NC(=O)N(CC4=CC=CC=C4)C5=CC=C(C=C5)NC(=O)N(CC6=CC=CC=C6)C(CC(=O)OCC)C7[C@H]([C@H]8[C@@H](O7)OC(O8)(C)C)OCC9=CC=CC=C9
InChI: InChI=1S/C60H70N4O14/c1-7-69-47(65)33-45(49-51(71-37-41-25-17-11-18-26-41)53-55(73-49)77-59(3,4)75-53)62-58(68)63(35-39-21-13-9-14-22-39)44-31-29-43(30-32-44)61-57(67)64(36-40-23-15-10-16-24-40)46(34-48(66)70-8-2)50-52(72-38-42-27-19-12-20-28-42)54-56(74-50)78-60(5,6)76-54/h9-32,45-46,49-56H,7-8,33-38H2,1-6H3,(H,61,67)(H,62,68)/t45?,46?,49?,50?,51-,52+,53+,54-,55+,56-/m0/s1
SMILES: CC(C)N1[C@@H]2[C@H]3CC[C@@]([C@@H]2O[P@@]1(=O)CC(=O)OC)(C3(C)C)C
InChI: InChI=1S/C16H28NO4P/c1-10(2)17-13-11-7-8-16(5,15(11,3)4)14(13)21-22(17,19)9-12(18)20-6/h10-11,13-14H,7-9H2,1-6H3/t11-,13-,14-,16+,22+/m1/s1
SMILES: B1(OC[C@@H]2[C@@H](O1)CC[C@@H](O2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCCCCCCCCCC
InChI: InChI=1S/C28H38BClO4/c1-2-3-4-5-6-7-8-9-20-31-25-16-12-23(13-17-25)29-32-21-28-27(34-29)19-18-26(33-28)22-10-14-24(30)15-11-22/h10-17,26-28H,2-9,18-21H2,1H3/t26-,27+,28-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)F)OCC5=CC=CC=C5
InChI: InChI=1S/C36H39FNO8P/c1-27(39)38-34-35(42-23-29-16-8-3-9-17-29)33(37)32(26-41-22-28-14-6-2-7-15-28)45-36(34)46-47(40,43-24-30-18-10-4-11-19-30)44-25-31-20-12-5-13-21-31/h2-21,32-36H,22-26H2,1H3,(H,38,39)/t32-,33+,34-,35+,36-/m1/s1
SMILES: C1C[C@H]2[C@@H]3[C@H]([C@H](N2C1)C(=O)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C22H19ClN2O3/c23-14-8-4-9-15(12-14)25-21(27)17-16-10-5-11-24(16)19(18(17)22(25)28)20(26)13-6-2-1-3-7-13/h1-4,6-9,12,16-19H,5,10-11H2/t16-,17+,18+,19-/m0/s1
SMILES: CCOC(=O)C1=CC(=CC=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)SC5=CC=CC=C5
InChI: InChI=1S/C23H23N5O6S/c1-2-31-21(29)14-7-6-8-15(11-14)24-23(30)34-18-13-33-19-17(12-32-20(18)19)28-22(25-26-27-28)35-16-9-4-3-5-10-16/h3-11,17-20H,2,12-13H2,1H3,(H,24,30)/t17-,18+,19+,20+/m0/s1
SMILES: C[C@@H](C1=C(C=CC=C1Cl)Cl)N2[C@H]([C@H](C2=O)OC3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C21H23Cl2NO2/c1-13(17-15(22)11-8-12-16(17)23)24-19(21(2,3)4)18(20(24)25)26-14-9-6-5-7-10-14/h5-13,18-19H,1-4H3/t13-,18+,19+/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCC(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H23NO4/c26-22(14-15-25-23(27)20-8-4-5-9-21(20)24(25)28)29-16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-7,10-13,20-21H,8-9,14-16H2/t20-,21-/m0/s1
SMILES: C[C@@H]1C[C@@H](/C=C/[C@@H]([C@H](CC(=O)O1)O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H30O5Si/c1-11-9-12(21-22(5,6)16(2,3)4)7-8-13(17)14(18)10-15(19)20-11/h7-8,11-14,17-18H,9-10H2,1-6H3/b8-7+/t11-,12-,13+,14+/m1/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=N\NC(=O)COC3=C(C=CC(=C3)C)C(C)C
InChI: InChI=1S/C21H26N2O3/c1-13(2)17-7-5-14(3)9-20(17)25-12-21(24)23-22-11-16-6-8-19(26-16)18-10-15(18)4/h5-9,11,13,15,18H,10,12H2,1-4H3,(H,23,24)/b22-11-/t15-,18-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3CC=C([C@@H]([C@@]3(C2=O)C4=CC=CC=C4)C5=C(C=CC(=C5)Br)O)C=C
InChI: InChI=1S/C29H25BrN2O3/c1-3-19-11-15-24-27(34)32(31-22-13-9-18(2)10-14-22)28(35)29(24,20-7-5-4-6-8-20)26(19)23-17-21(30)12-16-25(23)33/h3-14,16-17,24,26,31,33H,1,15H2,2H3/t24-,26+,29+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@@]1(N(CC4=CC=CC=C4C3(C)C)C(=O)O2)C
InChI: InChI=1S/C18H23NO2/c1-16(2)13-8-6-5-7-12(13)11-19-15(20)21-17(3)10-9-14(16)18(17,19)4/h5-8,14H,9-11H2,1-4H3/t14-,17+,18+/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NC(=O)COC6=CC=CC=C6)O
InChI: InChI=1S/C38H37N3O8/c1-45-29-17-13-27(14-18-29)38(26-9-5-3-6-10-26,28-15-19-30(46-2)20-16-28)48-24-33-32(42)23-36(49-33)41-22-21-34(40-37(41)44)39-35(43)25-47-31-11-7-4-8-12-31/h3-22,32-33,36,42H,23-25H2,1-2H3,(H,39,40,43,44)/t32-,33+,36+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C(C)(C)C)[C@@]3(N1)C4=C(C=CC(=C4)Br)NC3=O
InChI: InChI=1S/C18H20BrN3O3/c1-8-12-13(15(24)22(14(12)23)17(2,3)4)18(21-8)10-7-9(19)5-6-11(10)20-16(18)25/h5-8,12-13,21H,1-4H3,(H,20,25)/t8-,12+,13-,18-/m0/s1
SMILES: C1C[C@@H](CC=C1)[C@H]2[C@H]3CC=C[C@H]3C4=C(N2)C(=CC(=C4[N+](=O)[O-])Cl)O
InChI: InChI=1S/C18H19ClN2O3/c19-13-9-14(22)17-15(18(13)21(23)24)11-7-4-8-12(11)16(20-17)10-5-2-1-3-6-10/h1-2,4,7,9-12,16,20,22H,3,5-6,8H2/t10-,11-,12+,16+/m1/s1
SMILES: C[C@H]([C@@H](C[C@@H]1C/C(=C\CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)/[C@@H]([C@@](O1)(C(C)(C)CS(=O)(=O)C4=CC=CC=C4)OC)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C50H80O8SSi3/c1-38(57-60(14,15)46(2,3)4)44(58-61(16,17)47(5,6)7)36-40-35-39(45(51)50(54-13,56-40)49(11,12)37-59(52,53)41-27-21-18-22-28-41)33-34-55-62(48(8,9)10,42-29-23-19-24-30-42)43-31-25-20-26-32-43/h18-33,38,40,44-45,51H,34-37H2,1-17H3/b39-33+/t38-,40+,44-,45+,50-/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)O[C@@H]([C@@]2(C#N)NC)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C29H30N2O4/c1-27(2)34-25-26(35-27)33-24(28(25,20-30)31-3)19-32-29(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-26,31H,19H2,1-3H3/t24-,25+,26-,28-/m1/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=CC=C5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(C)C(=O)OCCCl)OCC=C
InChI: InChI=1S/C45H56ClN3O8/c1-4-24-55-45-41(49(3)44(52)53-25-21-46)28-39(48-56-29-32-14-6-5-7-15-32)37-26-33(16-8-10-22-50)36(18-9-11-23-51)42(43(37)45)38-27-35(19-20-40(38)57-45)54-30-34-17-12-13-31(2)47-34/h4-7,12-15,17,19-20,26-27,33,36,41-43,50-51H,1,8-11,16,18,21-25,28-30H2,2-3H3/t33-,36+,41-,42+,43+,45+/m0/s1
SMILES: CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C
InChI: InChI=1S/C35H60O7/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-35(8)19-17-27-26(7)32(24(5)25(6)33(27)42-35)41-34-31(39)30(38)29(37)28(20-36)40-34/h21-23,28-31,34,36-39H,9-20H2,1-8H3/t22-,23-,28-,29-,30+,31-,34?,35-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C30H24BrNO6/c1-14-11-23(34)27-21(28(14)35)13-20-18(25(27)15-3-10-24(38-2)22(33)12-15)8-9-19-26(20)30(37)32(29(19)36)17-6-4-16(31)5-7-17/h3-8,10-12,19-20,25-26,33H,9,13H2,1-2H3/t19-,20+,25-,26-/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)N(C)C(=O)[C@]2(C[C@H]2CN3CCC4(CC3)CN(C5=CC=CC=C45)C(=O)C)C6=CC(=C(C=C6)Cl)Cl
InChI: InChI=1S/C34H37Cl2N3O2/c1-23(25-9-5-4-6-10-25)37(3)32(41)34(26-13-14-29(35)30(36)19-26)20-27(34)21-38-17-15-33(16-18-38)22-39(24(2)40)31-12-8-7-11-28(31)33/h4-14,19,23,27H,15-18,20-22H2,1-3H3/t23-,27-,34+/m0/s1
SMILES: CN1CC[C@@]23CC(=O)[C@@H](C[C@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
InChI: InChI=1S/C19H25NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,12-13,16,22H,6-10H2,1-3H3/t12-,13-,16+,19+/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@H]([C@H](C1=O)O)O)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C29H31NO6/c1-28(2,3)36-27(34)30-23(24(31)25(32)26(30)33)19-35-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-25,31-32H,19H2,1-3H3/t23-,24-,25-/m1/s1
SMILES: CCCN1N=C(N=N1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)NCCN5CCCCC5)NCC(C6=CC=CC=C6)C7=CC=CC=C7)O)O
InChI: InChI=1S/C34H43N11O3/c1-2-17-45-41-31(40-42-45)29-27(46)28(47)33(48-29)44-22-37-26-30(38-34(39-32(26)44)35-16-20-43-18-10-5-11-19-43)36-21-25(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-4,6-9,12-15,22,25,27-29,33,46-47H,2,5,10-11,16-21H2,1H3,(H2,35,36,38,39)/t27-,28+,29-,33+/m0/s1
SMILES: C1[C@@H]2[C@H](C3=CC=CC=C31)N(C(=O)O2)C4=CN(N=N4)C5=CC=CC=C5
InChI: InChI=1S/C18H14N4O2/c23-18-22(16-11-21(20-19-16)13-7-2-1-3-8-13)17-14-9-5-4-6-12(14)10-15(17)24-18/h1-9,11,15,17H,10H2/t15-,17+/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1CCC([C@@H]1C/C=C\CCCC(=O)O)O)O
InChI: InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-19,21-22H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+,19?/m0/s1
SMILES: C1C[C@@H]2[C@@H](N(N=C2/C(=C/C3=CC=CC=C3)/C1)C(=O)C4=CC=CC=N4)C5=CC=CC=C5
InChI: InChI=1S/C26H23N3O/c30-26(23-16-7-8-17-27-23)29-25(20-12-5-2-6-13-20)22-15-9-14-21(24(22)28-29)18-19-10-3-1-4-11-19/h1-8,10-13,16-18,22,25H,9,14-15H2/b21-18+/t22-,25-/m0/s1
SMILES: CCCCC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)N3CC[C@@]4(CCCC[C@@H]4C3)O
InChI: InChI=1S/C25H33NO5/c1-3-4-7-18-14-23(27)31-22-15-20(9-10-21(18)22)30-17(2)24(28)26-13-12-25(29)11-6-5-8-19(25)16-26/h9-10,14-15,17,19,29H,3-8,11-13,16H2,1-2H3/t17-,19+,25+/m0/s1
SMILES: C1CN(C[C@H]([C@@]1(C2=CC(=C(C=C2)Cl)Cl)O)C(=O)C3=CC(=C(C=C3)Cl)Cl)CCCC4=CC=CC=C4
InChI: InChI=1S/C27H25Cl4NO2/c28-22-10-8-19(15-24(22)30)26(33)21-17-32(13-4-7-18-5-2-1-3-6-18)14-12-27(21,34)20-9-11-23(29)25(31)16-20/h1-3,5-6,8-11,15-16,21,34H,4,7,12-14,17H2/t21-,27+/m0/s1