EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
InChI: InChI=1S/C36H48O20/c1-15-25(42)27(44)30(47)36(52-15)56-33-31(48)35(50-10-9-17-3-6-18(38)20(40)11-17)54-23(14-51-34-29(46)28(45)26(43)22(13-37)53-34)32(33)55-24(41)8-5-16-4-7-19(39)21(12-16)49-2/h3-8,11-12,15,22-23,25-40,42-48H,9-10,13-14H2,1-2H3/b8-5+/t15-,22+,23+,25-,26-,27+,28-,29+,30+,31+,32+,33+,34+,35+,36-/m0/s1
SMILES: C[C@H]1C=C([C@H]2[C@@H]([C@H]1CO[C@H]2C3=C[N+](=CC=C3)C)C)C
InChI: InChI=1S/C17H24NO/c1-11-8-12(2)16-13(3)15(11)10-19-17(16)14-6-5-7-18(4)9-14/h5-9,11,13,15-17H,10H2,1-4H3/q+1/t11-,13+,15-,16-,17-/m0/s1
SMILES: C1=CC2=C(C(=C1)O)C(=CN2)C/C(=N\OS(=O)(=O)[O-])/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C16H20N2O10S2/c19-6-10-13(21)14(22)15(23)16(27-10)29-11(18-28-30(24,25)26)4-7-5-17-8-2-1-3-9(20)12(7)8/h1-3,5,10,13-17,19-23H,4,6H2,(H,24,25,26)/p-1/b18-11+/t10-,13-,14+,15-,16+/m1/s1
SMILES: C1[C@H](O[C@@H]([C@@H]([C@H]1O)NS(=O)(=O)O)O)COS(=O)(=O)O
InChI: InChI=1S/C6H13NO10S2/c8-4-1-3(2-16-19(13,14)15)17-6(9)5(4)7-18(10,11)12/h3-9H,1-2H2,(H,10,11,12)(H,13,14,15)/t3-,4-,5+,6-/m0/s1
SMILES: COC(=O)C1=C(O[C@H]([C@@]1(C2=CC=CC=C2)O)C3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C20H18O6/c1-24-18(21)15-16(19(22)25-2)26-17(13-9-5-3-6-10-13)20(15,23)14-11-7-4-8-12-14/h3-12,17,23H,1-2H3/t17-,20-/m0/s1
SMILES: CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CN2C(=O)[C@]3(CCCC[C@H]3C)NC2=O
InChI: InChI=1S/C22H31N3O5/c1-5-24(13-16-9-10-17(29-3)18(12-16)30-4)19(26)14-25-20(27)22(23-21(25)28)11-7-6-8-15(22)2/h9-10,12,15H,5-8,11,13-14H2,1-4H3,(H,23,28)/t15-,22-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@@H]3[C@H](CO2)[C@H](OC3=O)C4=CC5=C(C=C4)OCO5)OC
InChI: InChI=1S/C21H20O7/c1-23-14-5-3-12(7-16(14)24-2)20-18-13(9-25-20)19(28-21(18)22)11-4-6-15-17(8-11)27-10-26-15/h3-8,13,18-20H,9-10H2,1-2H3/t13-,18-,19+,20-/m0/s1
SMILES: C[C@]12CCCC[C@H]1CC[C@@H]3[C@H]2CC[C@@]4([C@H]3C/C(=C/C5=CC=C(C=C5)OC)/C4=O)C
InChI: InChI=1S/C27H36O2/c1-26-14-5-4-6-20(26)9-12-22-23(26)13-15-27(2)24(22)17-19(25(27)28)16-18-7-10-21(29-3)11-8-18/h7-8,10-11,16,20,22-24H,4-6,9,12-15,17H2,1-3H3/b19-16-/t20-,22+,23+,24-,26-,27+/m0/s1
SMILES: CO[C@@H]1C[C@H]2[C@@]3(C=C1)[C@H](CN2CC4=CC5=C(C=C34)OCO5)O
InChI: InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15-,16-,17-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@@]2(CC3=C1N=C(S3)NC(=O)C4=CC=C(C=C4)OC)C)[C@H](C)C(=O)N5CCCC5)O
InChI: InChI=1S/C28H37N3O4S/c1-16(26(34)31-13-5-6-14-31)20-11-12-28(3)15-21-23(17(2)22(28)24(20)32)29-27(36-21)30-25(33)18-7-9-19(35-4)10-8-18/h7-10,16-17,20,22,24,32H,5-6,11-15H2,1-4H3,(H,29,30,33)/t16-,17-,20+,22+,24-,28+/m0/s1
SMILES: CC(C)(C)OC(=O)C1([C@H]2[C@H](CN3[C@@H]2COC3=O)C4=C(C1O)N=CC=C4)C(=O)OC(C)(C)C
InChI: InChI=1S/C23H30N2O7/c1-21(2,3)31-18(27)23(19(28)32-22(4,5)6)15-13(10-25-14(15)11-30-20(25)29)12-8-7-9-24-16(12)17(23)26/h7-9,13-15,17,26H,10-11H2,1-6H3/t13-,14-,15+,17?/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/O1)NC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H26N2O10/c1-8(20)25-7-11-13(26-9(2)21)14(27-10(3)22)12(15(19-24)28-11)18-16(23)29-17(4,5)6/h11-14,24H,7H2,1-6H3,(H,18,23)/b19-15-/t11-,12-,13-,14-/m1/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O[Si](C)(C)C
InChI: InChI=1S/C19H25N3O4SSi/c1-11-10-27-18-14(21-16(23)13(20)12-8-6-5-7-9-12)17(24)22(18)15(11)19(25)26-28(2,3)4/h5-9,13-14,18H,10,20H2,1-4H3,(H,21,23)/t13-,14-,18-/m1/s1
SMILES: CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[C@H]5CCCC[C@H]5C4
InChI: InChI=1S/C25H27N3O2/c1-17-26-23-9-5-4-8-22(23)25(30)28(17)21-12-10-19(11-13-21)24(29)27-15-14-18-6-2-3-7-20(18)16-27/h4-5,8-13,18,20H,2-3,6-7,14-16H2,1H3/t18-,20+/m1/s1
SMILES: CC1=CC2=C(C(=C1)Cl)NC(=O)[C@]23[C@H]4[C@@H]([C@H](N3)[C@@H](C)O)C(=O)N(C4=O)CCOC
InChI: InChI=1S/C19H22ClN3O5/c1-8-6-10-15(11(20)7-8)21-18(27)19(10)13-12(14(22-19)9(2)24)16(25)23(17(13)26)4-5-28-3/h6-7,9,12-14,22,24H,4-5H2,1-3H3,(H,21,27)/t9-,12+,13+,14-,19-/m1/s1
SMILES: CCS[C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCN6CC6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C40H54N2O6S/c1-3-23-46-40-37(49-4-2)27-35(41-47-28-29-12-6-5-7-13-29)33-25-30(14-8-10-21-43)32(15-9-11-22-44)38(39(33)40)34-26-31(16-17-36(34)48-40)45-24-20-42-18-19-42/h3,5-7,12-13,16-17,25-26,30,32,37-39,43-44H,1,4,8-11,14-15,18-24,27-28H2,2H3/t30-,32+,37-,38+,39+,40+/m0/s1
SMILES: CCOC(=O)C[C@H]1CC[C@@H]2[C@@H]([C@H]1C(=O)C)[C@@H]3[C@H](O2)OC(O3)(C)C
InChI: InChI=1S/C17H26O6/c1-5-20-12(19)8-10-6-7-11-14(13(10)9(2)18)15-16(21-11)23-17(3,4)22-15/h10-11,13-16H,5-8H2,1-4H3/t10-,11-,13+,14+,15-,16-/m1/s1
SMILES: C[C@H]1C[C@@H]([C@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)N3CCC3)/C)OC)OC(=O)N)\C)C)F)OC
InChI: InChI=1S/C31H42FN3O7/c1-17-13-21-27(35-11-8-12-35)23(36)16-22(28(21)37)34-30(38)18(2)9-7-10-24(40-5)29(42-31(33)39)20(4)15-19(3)26(32)25(14-17)41-6/h7,9-10,15-17,19,24-26,29H,8,11-14H2,1-6H3,(H2,33,39)(H,34,38)/b10-7-,18-9+,20-15+/t17-,19+,24+,25+,26+,29+/m1/s1
SMILES: C[C@@]12C[C@@H]([C@H]3[C@@](O1)([C@@H]([C@]2(C#CC4=CC=CC=C4)O)O3)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H32O4Si/c1-20(2,3)28(6,7)26-17-15-21(4)23(24,14-13-16-11-9-8-10-12-16)19-22(5,27-21)18(17)25-19/h8-12,17-19,24H,15H2,1-7H3/t17-,18-,19-,21-,22+,23-/m0/s1
SMILES: C/C(=C\CO)/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC2=CC(=C(C=C2)O)O)O)O)OC(=O)CC3=CC(=C(C=C3)O)O
InChI: InChI=1S/C27H32O13/c1-14(6-7-28)12-38-27-26(40-23(34)11-16-3-5-18(30)20(32)9-16)25(36)24(35)21(39-27)13-37-22(33)10-15-2-4-17(29)19(31)8-15/h2-6,8-9,21,24-32,35-36H,7,10-13H2,1H3/b14-6+/t21-,24-,25+,26-,27-/m1/s1
SMILES: C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)NC2=CC(=CC(=C2)SC3=CC=CC=C3)[N+](=O)[O-])O)O)O
InChI: InChI=1S/C18H20N2O6S/c1-10-15(21)16(22)17(23)18(26-10)19-11-7-12(20(24)25)9-14(8-11)27-13-5-3-2-4-6-13/h2-10,15-19,21-23H,1H3/t10-,15+,16-,17-,18+/m0/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CC[C@H]4[C@@H]5CCC6=C[C@H](CC[C@@]6([C@H]5CC47C3(C7)C)C)O)C)N(C1)C
InChI: InChI=1S/C29H45NO2/c1-17-12-24-25(30(5)15-17)18(2)29(32-24)11-9-22-21-7-6-19-13-20(31)8-10-26(19,3)23(21)14-28(22)16-27(28,29)4/h13,17-18,20-25,31H,6-12,14-16H2,1-5H3/t17-,18+,20-,21-,22-,23-,24+,25-,26-,27?,28?,29?/m0/s1
SMILES: CC(=CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@](CO2)(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C28H40O16/c1-14(2)9-10-35-26-24(41-18(6)32)23(40-17(5)31)22(39-16(4)30)21(43-26)11-36-27-25(42-19(7)33)28(13-38-27,44-20(8)34)12-37-15(3)29/h9,21-27H,10-13H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-/m1/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=CC=C(C=C4)C5=CC(=CC=C5)C6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C36H36FNO7/c37-26-15-13-22(14-16-26)29(40)18-17-28-31(38(36(28)44)27-7-2-1-3-8-27)23-11-9-21(10-12-23)24-5-4-6-25(19-24)35-34(43)33(42)32(41)30(20-39)45-35/h1-16,19,28-35,39-43H,17-18,20H2/t28-,29+,30-,31-,32-,33+,34-,35?/m1/s1
SMILES: CC1=C2CC[C@@]([C@H]2C[C@]3(CC(=O)C(=C(C)C)C3CC1)C)(C)O
InChI: InChI=1S/C20H30O2/c1-12(2)18-15-7-6-13(3)14-8-9-20(5,22)16(14)10-19(15,4)11-17(18)21/h15-16,22H,6-11H2,1-5H3/t15?,16-,19-,20+/m0/s1
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N/O[Si](C)(C)C(C)(C)C)C)C(=O)O3)O)C)O)\C)O[C@@H]1C6CCCCC6
InChI: InChI=1S/C42H65NO8Si/c1-26-14-13-17-31-25-47-38-35(43-51-52(8,9)40(5,6)7)29(4)22-34(42(31,38)46)39(45)48-33-23-32(19-18-27(2)36(26)44)49-41(24-33)21-20-28(3)37(50-41)30-15-11-10-12-16-30/h13-14,17-18,22,26,28,30,32-34,36-38,44,46H,10-12,15-16,19-21,23-25H2,1-9H3/b14-13+,27-18+,31-17+,43-35-/t26-,28-,32+,33-,34-,36-,37-,38+,41+,42+/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O
InChI: InChI=1S/C17H21NO3/c1-10(11-5-3-2-4-6-11)18-16(19)14-12-7-8-13(9-12)15(14)17(20)21/h2-6,10,12-15H,7-9H2,1H3,(H,18,19)(H,20,21)/t10-,12-,13+,14+,15+/m1/s1
SMILES: CC(C)[C@H]1C(OC(=O)N1C(=O)[C@H]([C@@H](C2=CC(=C(O2)CCCO[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5)Br)OC(=O)C)OC)(C)C
InChI: InChI=1S/C42H54BrNO13/c1-25(2)38-42(4,5)57-41(48)44(38)39(47)36(49-6)34(54-26(3)46)31-21-29(43)30(55-31)19-14-20-51-37-35(53-24-28-17-12-9-13-18-28)33(32(22-45)56-40(37)50-7)52-23-27-15-10-8-11-16-27/h8-13,15-18,21,25,32-38,40,45H,14,19-20,22-24H2,1-7H3/t32-,33-,34-,35+,36+,37+,38+,40+/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C(=CC(=C8)Br)OC)O)C(=O)N(C7=O)C9=CC=C(C=C9)C1=NC2=CC=CC=C2O1)C
InChI: InChI=1S/C48H37BrClN5O7S/c1-22-29-19-25(50)11-16-37(29)63-42(22)34-21-38(53(3)52-34)55-45(58)32-20-30-27(40(48(32,2)47(55)60)31-17-24(49)18-36(61-4)41(31)56)14-15-28-39(30)46(59)54(44(28)57)26-12-9-23(10-13-26)43-51-33-7-5-6-8-35(33)62-43/h5-14,16-19,21,28,30,32,39-40,56H,15,20H2,1-4H3/t28-,30+,32-,39-,40+,48+/m0/s1
SMILES: CC1=C[C@@H]([C@H](O1)C2=CC=CC=C2)C(=O)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].N.N.N.N.N.[Os+2]
InChI: InChI=1S/C13H14O2.2CHF3O3S.5H3N.Os/c1-9-8-12(10(2)14)13(15-9)11-6-4-3-5-7-11;2*2-1(3,4)8(5,6)7;;;;;;/h3-8,12-13H,1-2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/t12-,13-;;;;;;;;/m1......../s1
SMILES: CC1=CC=C(S1)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C15H21NOS/c1-9-3-6-14(18-9)15(17)16-10(2)13-8-11-4-5-12(13)7-11/h3,6,10-13H,4-5,7-8H2,1-2H3,(H,16,17)/t10-,11-,12-,13-/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@H]3[C@H]2CC[C@]4([C@@H]3CCC4=O)C)Cl
InChI: InChI=1S/C19H29ClO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,18-,19-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@H]5[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C34H54O3S/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-27(37-38(35,36)28-13-10-24(3)11-14-28)18-20-33(26,5)32(29)19-21-34(30,31)6/h10-11,13-14,23,25-27,29-32H,7-9,12,15-22H2,1-6H3/t25-,26+,27+,29+,30-,31+,32+,33+,34-/m1/s1
SMILES: CC(C)NC(=O)NC1=C(C=C(C=C1)C(F)(F)F)C(=O)NCC(=O)N[C@H]2CCCC[C@H]2CS(=O)(=O)C3=CC=C(C=C3)SC
InChI: InChI=1S/C28H35F3N4O5S2/c1-17(2)33-27(38)35-24-13-8-19(28(29,30)31)14-22(24)26(37)32-15-25(36)34-23-7-5-4-6-18(23)16-42(39,40)21-11-9-20(41-3)10-12-21/h8-14,17-18,23H,4-7,15-16H2,1-3H3,(H,32,37)(H,34,36)(H2,33,35,38)/t18-,23-/m0/s1
SMILES: CC1=C(C=CC(=C1)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)CCCCCC(=O)O)C(=O)N(C3=O)CCCCCC(=O)O)O
InChI: InChI=1S/C33H40N2O9/c1-18-16-19(10-13-24(18)36)27-20-11-12-21-28(32(43)34(30(21)41)14-6-2-4-8-25(37)38)22(20)17-23-29(27)33(44)35(31(23)42)15-7-3-5-9-26(39)40/h10-11,13,16,21-23,27-29,36H,2-9,12,14-15,17H2,1H3,(H,37,38)(H,39,40)/t21-,22+,23+,27-,28-,29+/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O.Cl
InChI: InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10-,14-,16-,17-,22+,27-;/m0./s1
SMILES: CC1=C2CC[C@H]3[C@H]([C@@H]2CC1)CC[C@@]4([C@@H]3CC[C@H]4O)C
InChI: InChI=1S/C18H28O/c1-11-3-4-13-12(11)5-6-15-14(13)9-10-18(2)16(15)7-8-17(18)19/h13-17,19H,3-10H2,1-2H3/t13-,14+,15+,16-,17-,18-/m1/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)C4=CC=CC=C4CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CSC6=CC=CC=[N+]6[O-]
InChI: InChI=1S/C38H31F5N2O5S/c1-21-28(20-51-29-8-4-5-17-45(29)48)49-38(50-36(21)24-11-9-22(19-46)10-12-24)25-15-13-23(14-16-25)27-7-3-2-6-26(27)18-44-37(47)30-31(39)33(41)35(43)34(42)32(30)40/h2-17,21,28,36,38,46H,18-20H2,1H3,(H,44,47)/t21-,28+,36+,38+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C19H31N3O3/c1-12-7-6-9-15(14(12)3)20-16(23)11-22-17(24)19(21-18(22)25)10-5-4-8-13(19)2/h12-15H,4-11H2,1-3H3,(H,20,23)(H,21,25)/t12-,13+,14-,15-,19+/m1/s1
SMILES: C[C@H]([C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)O
InChI: InChI=1S/C39H56N6O15/c1-19(2)13-25(35(54)44-27(38(57)58)18-59-39-33(52)32(51)31(50)28(17-46)60-39)43-36(55)26(15-21-7-5-4-6-8-21)42-29(49)16-41-37(56)30(20(3)47)45-34(53)24(40)14-22-9-11-23(48)12-10-22/h4-12,19-20,24-28,30-33,39,46-48,50-52H,13-18,40H2,1-3H3,(H,41,56)(H,42,49)(H,43,55)(H,44,54)(H,45,53)(H,57,58)/t20-,24+,25+,26+,27+,28-,30-,31-,32+,33-,39-/m1/s1
SMILES: CC1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H16Cl2N2O3S/c1-11-2-4-12(5-3-11)21-16-9-26(24,25)10-17(16)22(18(21)23)13-6-7-14(19)15(20)8-13/h2-8,16-17H,9-10H2,1H3/t16-,17+/m0/s1
SMILES: CC[C@@H]1[C@@]2(C(=O)[C@H]([C@@H](O2)[C@@H](CC([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)C
InChI: InChI=1S/C37H65NO12/c1-14-25-37(10)30(40)20(4)28(50-37)18(2)16-35(8,43)32(49-34-27(39)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)47-25)48-26-17-36(9,44-13)31(41)23(7)46-26/h18-29,31-32,34,39,41,43H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27-,28+,29+,31+,32-,34+,35?,36-,37-/m1/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)C4=CC=CC(=C4)CN5C(=O)C6=CC=CC=C6C5=O)CN(CC7=CC=CC=C7)CC8=CC=CC=C8
InChI: InChI=1S/C48H44N2O5/c1-33-44(31-49(28-34-11-4-2-5-12-34)29-35-13-6-3-7-14-35)54-48(55-45(33)39-21-19-36(32-51)20-22-39)40-25-23-38(24-26-40)41-16-10-15-37(27-41)30-50-46(52)42-17-8-9-18-43(42)47(50)53/h2-27,33,44-45,48,51H,28-32H2,1H3/t33-,44+,45+,48+/m0/s1
SMILES: CCOC1=CC=C(C2=CC=CC=C21)/C=C\3/C(=O)N4[C@H]([C@@H](C(=N[C@@H]4S3)C)C(=O)OCC)C5=CC(=C(C=C5)OCC(=O)OCC)OC
InChI: InChI=1S/C34H36N2O8S/c1-6-41-25-15-13-21(23-11-9-10-12-24(23)25)18-28-32(38)36-31(30(33(39)43-8-3)20(4)35-34(36)45-28)22-14-16-26(27(17-22)40-5)44-19-29(37)42-7-2/h9-18,30-31,34H,6-8,19H2,1-5H3/b28-18-/t30-,31+,34+/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N1C(=O)[C@@H](C)C(=O)C2=CC(=C(O2)CCCOCCO)C3=CC=CC(=C3)C)C4=CC=CC=C4
InChI: InChI=1S/C30H33NO7/c1-19-9-7-12-23(17-19)24-18-26(37-25(24)13-8-15-36-16-14-32)27(33)20(2)29(34)31-21(3)28(38-30(31)35)22-10-5-4-6-11-22/h4-7,9-12,17-18,20-21,28,32H,8,13-16H2,1-3H3/t20-,21-,28-/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@]2(C[C@@H]1OC(=O)/C=C/C5=CC=CC=C5)C(C)(C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C44H50O14/c1-24-31(56-34(49)20-19-29-15-11-9-12-16-29)22-43(41(6,7)51)35(24)36(57-40(50)30-17-13-10-14-18-30)38(54-26(3)46)42(8)32(53-25(2)45)21-33-44(23-52-33,58-28(5)48)37(42)39(43)55-27(4)47/h9-20,31-33,36-39,51H,21-23H2,1-8H3/b20-19+/t31-,32-,33+,36+,37-,38-,39-,42+,43-,44-/m0/s1
SMILES: C1CN2CCC1C3=NC([C@H]([C@@H]32)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C21H22N2/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)22-20-17-11-13-23(14-12-17)21(18)20/h1-10,17-19,21H,11-14H2/t18-,19?,21+/m1/s1
SMILES: C[C@@H]([C@H]1[C@@H](N=C(O1)C2=CC=C(C=C2)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H31NO5Si/c1-13(26-27(7,8)20(2,3)4)17-16(19(22)24-6)21-18(25-17)14-9-11-15(23-5)12-10-14/h9-13,16-17H,1-8H3/t13-,16+,17-/m0/s1
SMILES: C/C=C\1/CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4-5,16-19,22H,6-13H2,1-3H3/b14-4-/t16-,17-,18-,19-,20+,21-/m0/s1
SMILES: C[C@@H](C(C)[C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@H]([C@H]2O)O)CC(C)CC(=O)OCCCCCCCCC(=O)O)O
InChI: InChI=1S/C26H46O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h16-21,24-27,31-32H,4-15H2,1-3H3,(H,28,29)/t16?,17?,18-,19-,20-,21-,24-,25+,26-/m0/s1
SMILES: C[C@H](CCC(=O)NCCCNCCCCNCCCN)[C@H]1CCC2[C@@]1(CCC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C34H64N4O3/c1-24(8-11-31(41)38-21-7-20-37-18-5-4-17-36-19-6-16-35)27-9-10-28-32-29(13-15-34(27,28)3)33(2)14-12-26(39)22-25(33)23-30(32)40/h24-30,32,36-37,39-40H,4-23,35H2,1-3H3,(H,38,41)/t24-,25+,26-,27-,28?,29?,30-,32?,33+,34-/m1/s1
SMILES: C[C@H]1CC[C@H](N([C@H]1CCO)C(=O)OCC2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C18H25NO5/c1-13-8-9-16(17(21)23-2)19(15(13)10-11-20)18(22)24-12-14-6-4-3-5-7-14/h3-7,13,15-16,20H,8-12H2,1-2H3/t13-,15-,16-/m0/s1
SMILES: CC1=C(C=C(C=C1)Cl)N2C(=O)[C@H]3C4C5=CC=CC=C5C([C@@]3(C2=O)C)C6=CC=CC=C46
InChI: InChI=1S/C26H20ClNO2/c1-14-11-12-15(27)13-20(14)28-24(29)23-21-16-7-3-5-9-18(16)22(26(23,2)25(28)30)19-10-6-4-8-17(19)21/h3-13,21-23H,1-2H3/t21?,22?,23-,26+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCCCNC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H51NO20/c1-16(36)45-14-23-25(47-18(3)38)27(48-19(4)39)30(51-22(7)42)32(53-23)54-26-24(15-46-17(2)37)52-31(29(50-21(6)41)28(26)49-20(5)40)44-13-11-12-35-33(43)55-34(8,9)10/h23-32H,11-15H2,1-10H3,(H,35,43)/t23-,24-,25+,26+,27+,28+,29-,30-,31-,32-/m1/s1
SMILES: C1[C@@H]([C@]12C[NH+](C[C@@]3(C2=O)C[C@@H]3C4=CC=CC=C4)CC5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C28H27NO/c30-26-27(16-24(27)22-12-6-2-7-13-22)19-29(18-21-10-4-1-5-11-21)20-28(26)17-25(28)23-14-8-3-9-15-23/h1-15,24-25H,16-20H2/p+1/t24-,25-,27-,28+/m1/s1
SMILES: CC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C4=CC=CC=C4C=C3)C(=O)N(C2=O)C5=C(C=CC(=C5)[N+](=O)[O-])OC
InChI: InChI=1S/C23H19N3O6/c1-12(27)21-20-19(16-9-7-13-5-3-4-6-15(13)24(16)21)22(28)25(23(20)29)17-11-14(26(30)31)8-10-18(17)32-2/h3-11,16,19-21H,1-2H3/t16-,19-,20-,21-/m1/s1
SMILES: CC(=O)OCC1=C([C@@]2(CCCC([C@@H]2CC1=O)(C)C)C)COC(=O)C
InChI: InChI=1S/C19H28O5/c1-12(20)23-10-14-15(11-24-13(2)21)19(5)8-6-7-18(3,4)17(19)9-16(14)22/h17H,6-11H2,1-5H3/t17-,19-/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@](C1CCC(=C)[C@H]2C/C=C\3/C(COC3=O)OCC4=CC=CC=C4)(C)CO)O
InChI: InChI=1S/C27H36O5/c1-18-9-12-23-26(2,14-13-24(29)27(23,3)17-28)21(18)11-10-20-22(16-32-25(20)30)31-15-19-7-5-4-6-8-19/h4-8,10,21-24,28-29H,1,9,11-17H2,2-3H3/b20-10-/t21-,22?,23?,24-,26+,27+/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)OC=O)SC1)C(=O)O
InChI: InChI=1S/C19H18N2O8S/c1-10(23)28-7-12-8-30-18-13(17(25)21(18)14(12)19(26)27)20-16(24)15(29-9-22)11-5-3-2-4-6-11/h2-6,9,13,15,18H,7-8H2,1H3,(H,20,24)(H,26,27)/t13-,15-,18-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@@H]([C@@H]1OC(=O)OC4=CC=CC=C4)OC
InChI: InChI=1S/C23H24O9/c1-14(24)28-19-18-17(13-27-21(31-18)15-9-5-3-6-10-15)30-22(26-2)20(19)32-23(25)29-16-11-7-4-8-12-16/h3-12,17-22H,13H2,1-2H3/t17-,18-,19+,20-,21-,22+/m1/s1
SMILES: COC1=C(C=C2[C@@H](O[C@@H]3CCCC[C@@H]3C2=C1)C4=CC(=CC=C4)C(F)(F)F)OC
InChI: InChI=1S/C22H23F3O3/c1-26-19-11-16-15-8-3-4-9-18(15)28-21(17(16)12-20(19)27-2)13-6-5-7-14(10-13)22(23,24)25/h5-7,10-12,15,18,21H,3-4,8-9H2,1-2H3/t15-,18-,21+/m1/s1
SMILES: C1CCC(CC1)[C@H](C(=O)O)N2C[C@@H]([C@H](C2)C3=CC(=CC=C3)F)CN4CCC(CC4)CC(=O)NCC5=CC=CC=C5
InChI: InChI=1S/C33H44FN3O3/c34-29-13-7-12-27(19-29)30-23-37(32(33(39)40)26-10-5-2-6-11-26)22-28(30)21-36-16-14-24(15-17-36)18-31(38)35-20-25-8-3-1-4-9-25/h1,3-4,7-9,12-13,19,24,26,28,30,32H,2,5-6,10-11,14-18,20-23H2,(H,35,38)(H,39,40)/t28-,30+,32+/m0/s1
SMILES: CCSC([C@@H]1[C@@](OC(O1)(C)C)([C@@H](C)O)C(=O)OC)SCC
InChI: InChI=1S/C14H26O5S2/c1-7-20-11(21-8-2)10-14(9(3)15,12(16)17-6)19-13(4,5)18-10/h9-11,15H,7-8H2,1-6H3/t9-,10-,14+/m1/s1
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(C)C
InChI: InChI=1S/C31H48O3/c1-8-22(19(2)3)10-9-20(4)25-11-12-26-29-27(14-16-31(25,26)7)30(6)15-13-24(34-21(5)32)17-23(30)18-28(29)33/h9-10,18-20,22,24-27,29H,8,11-17H2,1-7H3/b10-9+/t20-,22-,24+,25-,26+,27+,29+,30+,31-/m1/s1
SMILES: CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N2[C@@H]([C@H](C2=O)CCCN=C(N)N)C(=O)O
InChI: InChI=1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21)/t11-,12+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NC2=CC(=C(C=C2)C)F
InChI: InChI=1S/C16H23FN2S/c1-10-5-4-6-15(12(10)3)19-16(20)18-13-8-7-11(2)14(17)9-13/h7-10,12,15H,4-6H2,1-3H3,(H2,18,19,20)/t10-,12-,15+/m1/s1
SMILES: CC[C@]1([C@]2([C@@]1([C@@]3([NH+]=C2N)OCCS3)C#N)C#N)C4=CC=C(C=C4)Br
InChI: InChI=1S/C17H15BrN4OS/c1-2-14(11-3-5-12(18)6-4-11)15(9-19)13(21)22-17(16(14,15)10-20)23-7-8-24-17/h3-6H,2,7-8H2,1H3,(H2,21,22)/p+1/t14-,15+,16-,17-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=CC=C5
InChI: InChI=1S/C23H18N2O3/c26-22-19-20(16-10-4-1-5-11-16)25(18-14-8-3-9-15-18)28-21(19)23(27)24(22)17-12-6-2-7-13-17/h1-15,19-21H/t19-,20-,21-/m0/s1
SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)C(=O)N[C@H](CCC(=O)O)C(=O)NC
InChI: InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34-,36+,37+,39+,40+,41-,45-/m0/s1
SMILES: CCN(C)[C@H]1C[C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C3=C(C[C@]2(O3)C)C)C)O)(C)O)CCO)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)OC)C)C
InChI: InChI=1S/C38H67NO13/c1-13-39(11)25-16-20(3)47-35(28(25)41)51-33-22(5)30(50-27-18-36(8,46-12)32(43)24(7)48-27)23(6)34(44)49-26(14-15-40)38(10,45)31(42)21(4)29-19(2)17-37(33,9)52-29/h20-28,30-33,35,40-43,45H,13-18H2,1-12H3/t20-,21+,22+,23-,24+,25+,26-,27+,28-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4CCCCC4)COC(=O)[C@@H]5[C@@]3(C[C@H]([C@H](C5)O)O)C
InChI: InChI=1S/C26H40O6/c1-25-11-10-18-16(14-31-24(30)19-12-20(27)21(28)13-26(18,19)2)17(25)8-9-22(25)32-23(29)15-6-4-3-5-7-15/h15-22,27-28H,3-14H2,1-2H3/t16-,17-,18-,19+,20-,21+,22-,25-,26+/m0/s1
SMILES: C/C=C(\C)/C(=O)O[C@@H]1[C@@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)/C(=C/C)/C
InChI: InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-18-16(11-9-15-10-12-17(25)28-19(15)18)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7+,14-8+/t20-,21-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H]([C@H](CN1S(=O)(=O)C2=CC=C(C=C2)C)C)O
InChI: InChI=1S/C15H21NO5S/c1-4-21-15(18)13-14(17)11(3)9-16(13)22(19,20)12-7-5-10(2)6-8-12/h5-8,11,13-14,17H,4,9H2,1-3H3/t11-,13+,14+/m0/s1
SMILES: CN1[C@@H]2C[C@@H](C(=O)[C@H]1C[C@@H]2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C22H25NO/c1-23-20-15-19(13-17-10-6-3-7-11-17)22(24)21(23)14-18(20)12-16-8-4-2-5-9-16/h2-11,18-21H,12-15H2,1H3/t18-,19-,20+,21+/m0/s1
SMILES: CCOCCOC1[C@H]2C[C@@H]3[C@@]1(CCC2=O)[C@]4(CC[C@@H]([C@H]([C@@H]4C=C3)C)O[Si](C(C)C)(C(C)C)C(C)C)C
InChI: InChI=1S/C31H54O4Si/c1-10-33-17-18-34-29-25-19-24-11-12-26-23(8)28(35-36(20(2)3,21(4)5)22(6)7)14-15-30(26,9)31(24,29)16-13-27(25)32/h11-12,20-26,28-29H,10,13-19H2,1-9H3/t23-,24+,25-,26-,28-,29?,30-,31+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H](OS(=O)O2)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C14H28O6SSi/c1-13(2,3)22(6,7)17-9-11-12(20-21(15)19-11)10-8-16-14(4,5)18-10/h10-12H,8-9H2,1-7H3/t10-,11-,12-,21?/m1/s1
SMILES: CC1(O[C@H]([C@H](O1)[C@@H](C2=CC=CC=C2C3(OCCO3)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)CO)C
InChI: InChI=1S/C28H40O6Si/c1-26(2,3)35(6,7)34-24(25-23(19-29)32-27(4,5)33-25)21-15-11-12-16-22(21)28(30-17-18-31-28)20-13-9-8-10-14-20/h8-16,23-25,29H,17-19H2,1-7H3/t23-,24+,25-/m0/s1
SMILES: CC1=N[C@H]2C=CC=C[C@@H]2C(=O)N1/N=C\C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C18H19N3O3/c1-12-20-15-7-5-4-6-14(15)18(22)21(12)19-11-13-8-9-16(23-2)17(10-13)24-3/h4-11,14-15H,1-3H3/b19-11-/t14-,15-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)C(=O)OC(C)(C)C
InChI: InChI=1S/C26H36N6O7S/c1-15-9-11-16(12-10-15)40(36,37)31-17(25(35)39-26(2,3)4)7-5-6-8-18-20(33)21(34)24(38-18)32-14-30-19-22(27)28-13-29-23(19)32/h9-14,17-18,20-21,24,31,33-34H,5-8H2,1-4H3,(H2,27,28,29)/t17-,18+,20+,21+,24+/m0/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC(=O)NCC5=CC=CC=C5)OCC=C)CCCCO)CCCCO)C(=O)OCC
InChI: InChI=1S/C42H57N3O9/c1-5-21-45(41(49)51-7-3)37-27-35(44-50-4)33-25-30(17-11-13-22-46)32(18-12-14-23-47)38-34-26-31(53-40(48)43-28-29-15-9-8-10-16-29)19-20-36(34)54-42(37,39(33)38)52-24-6-2/h6,8-10,15-16,19-20,25-26,30,32,37-39,46-47H,2,5,7,11-14,17-18,21-24,27-28H2,1,3-4H3,(H,43,48)/t30-,32+,37-,38+,39+,42+/m0/s1