EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C[C@H](C(C1)NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CN5C=NC=N5)O)O)NCC(C6=CC=CC=C6)C7=CC=CC=C7)O
InChI: InChI=1S/C31H35N9O4/c41-23-13-7-12-22(23)36-31-37-28(33-14-21(19-8-3-1-4-9-19)20-10-5-2-6-11-20)25-29(38-31)40(18-34-25)30-27(43)26(42)24(44-30)15-39-17-32-16-35-39/h1-6,8-11,16-18,21-24,26-27,30,41-43H,7,12-15H2,(H2,33,36,37,38)/t22?,23-,24-,26-,27-,30-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2OC)OC)OC
InChI: InChI=1S/C21H31NO6/c1-12-8-7-9-16(13(12)2)22-20(23)14(3)28-21(24)15-10-18(26-5)19(27-6)11-17(15)25-4/h10-14,16H,7-9H2,1-6H3,(H,22,23)/t12-,13+,14+,16-/m0/s1
SMILES: COC1=CC=CC(=C1)NC2=NC=NC3=CC=CC(=C32)CN4CC[C@H]([C@@H](C4)O)N
InChI: InChI=1S/C21H25N5O2/c1-28-16-6-3-5-15(10-16)25-21-20-14(4-2-7-18(20)23-13-24-21)11-26-9-8-17(22)19(27)12-26/h2-7,10,13,17,19,27H,8-9,11-12,22H2,1H3,(H,23,24,25)/t17-,19-/m1/s1
SMILES: C[C@]1(CCCC2([C@@H]1CC[C@]34[C@H]2C[C@H]5C(C3)[C@@]5(C4)C)C)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C27H36O2/c1-24-11-7-12-25(2,23(28)29-16-18-8-5-4-6-9-18)21(24)10-13-27-15-20-19(14-22(24)27)26(20,3)17-27/h4-6,8-9,19-22H,7,10-17H2,1-3H3/t19-,20?,21-,22-,24?,25+,26+,27-/m0/s1
SMILES: C/C(=C\[C@@H]1C=C[C@@H](C[C@]12C(=O)O[C@@H](O2)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)/C(=O)OC
InChI: InChI=1S/C24H40O6Si/c1-16(19(25)27-8)13-18-12-11-17(15-28-31(9,10)23(5,6)7)14-24(18)20(26)29-21(30-24)22(2,3)4/h11-13,17-18,21H,14-15H2,1-10H3/b16-13+/t17-,18-,21-,24+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4)C(=O)[O-]
InChI: InChI=1S/C21H21NO6/c23-20(16-3-1-2-4-17(16)21(24)25)22-13-5-7-14(8-6-13)28-15-9-10-18-19(11-15)27-12-26-18/h5-11,16-17H,1-4,12H2,(H,22,23)(H,24,25)/p-1/t16-,17-/m1/s1
SMILES: C[C@@H]1C[C@@H]2CC=C[C@H](O2)CC#CC(=O)O[C@@H](C[C@@H]3[C@@H](O3)[C@H](CC(=C)C1)O)[C@H](/C=C/[C@@H]4CC(=CCO4)C)OC
InChI: InChI=1S/C31H42O7/c1-20-13-14-35-24(16-20)11-12-27(34-4)28-19-29-31(38-29)26(32)18-22(3)15-21(2)17-25-9-5-7-23(36-25)8-6-10-30(33)37-28/h5,7,11-13,21,23-29,31-32H,3,8-9,14-19H2,1-2,4H3/b12-11+/t21-,23-,24+,25-,26-,27-,28-,29+,31-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=O)[C@@H]3N2[C@H]([C@]4([C@H]3C(=O)NC5=NC6=CC=CC=C6S5)C7=C(C=CC(=C7)C#CCNC(=O)N)NC4=O)C8=CC(=CC=C8)OCCO)C9=CC=CC=C9
InChI: InChI=1S/C46H38N6O7S/c47-44(57)48-22-10-11-27-20-21-33-32(25-27)46(43(56)49-33)36(41(54)51-45-50-34-18-7-8-19-35(34)60-45)38-42(55)59-39(29-14-5-2-6-15-29)37(28-12-3-1-4-13-28)52(38)40(46)30-16-9-17-31(26-30)58-24-23-53/h1-9,12-21,25-26,36-40,53H,22-24H2,(H,49,56)(H3,47,48,57)(H,50,51,54)/t36-,37-,38-,39+,40+,46-/m1/s1
SMILES: C1[C@H]2[C@@H]1C(C(C(C([C@H]2N3C(=O)C4=CC=CC=C4C3=O)O)O)O)O
InChI: InChI=1S/C16H17NO6/c18-11-9-5-8(9)10(12(19)14(21)13(11)20)17-15(22)6-3-1-2-4-7(6)16(17)23/h1-4,8-14,18-21H,5H2/t8-,9+,10-,11?,12?,13?,14?/m0/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C3C(=NC4(N3C(=O)C)CCN(CC4)CC(C)C)C5=C(C2=O)C(=C(C6=C5C(=O)[C@](O6)(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)/C
InChI: InChI=1S/C48H64N4O12/c1-23(2)22-51-19-17-48(18-20-51)50-36-33-34-41(57)29(8)44-35(33)45(59)47(11,64-44)62-21-16-32(61-12)26(5)43(63-31(10)54)28(7)40(56)27(6)39(55)24(3)14-13-15-25(4)46(60)49-37(42(34)58)38(36)52(48)30(9)53/h13-16,21,23-24,26-28,32,39-40,43,55-57H,17-20,22H2,1-12H3,(H,49,60)/b14-13+,21-16+,25-15-/t24-,26+,27+,28+,32-,39-,40+,43+,47-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)N(CC2=NN=C(O2)C3=CC=C(C=C3)Cl)C4CC4
InChI: InChI=1S/C20H25ClN4OS/c1-13-4-2-3-5-17(13)22-20(27)25(16-10-11-16)12-18-23-24-19(26-18)14-6-8-15(21)9-7-14/h6-9,13,16-17H,2-5,10-12H2,1H3,(H,22,27)/t13-,17-/m0/s1
SMILES: C1CN2[C@@H]([C@H]1NC(=O)CCC(=O)[O-])C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4F
InChI: InChI=1S/C22H20FN3O5/c23-15-4-2-1-3-13(15)12-5-6-16-14(11-12)22(31)26-10-9-17(20(26)21(30)25-16)24-18(27)7-8-19(28)29/h1-6,11,17,20H,7-10H2,(H,24,27)(H,25,30)(H,28,29)/p-1/t17-,20-/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2C3=C(C=C(C=C3)OC)OC)(CO)C(=O)OCC
InChI: InChI=1S/C20H26N2O7/c1-5-22-17(24)14-15(18(22)25)20(10-23,19(26)29-6-2)21-16(14)12-8-7-11(27-3)9-13(12)28-4/h7-9,14-16,21,23H,5-6,10H2,1-4H3/p+1/t14-,15-,16+,20+/m0/s1
SMILES: CC[C@]12C[C@@H](C3=C(CCN(C1)C[C@H]4[C@@H]2O4)C5=CC=CC=C5N3)C(=O)OC
InChI: InChI=1S/C21H26N2O3/c1-3-21-10-15(20(24)25-2)18-14(13-6-4-5-7-16(13)22-18)8-9-23(12-21)11-17-19(21)26-17/h4-7,15,17,19,22H,3,8-12H2,1-2H3/t15-,17-,19-,21-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC2=NC(=C([C@H](C2C1=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC)C)C5=CC=C(C=C5)OC
InChI: InChI=1S/C30H31NO8/c1-5-36-29(33)24-16(3)31-21-14-20(17-7-10-19(35-4)11-8-17)26(30(34)37-6-2)28(32)27(21)25(24)18-9-12-22-23(13-18)39-15-38-22/h7-13,20,25-27H,5-6,14-15H2,1-4H3/t20-,25+,26-,27?/m0/s1
SMILES: CC1(O[C@@H]2[C@@H](O[C@H]([C@@H]2O1)N3C=C(C(=O)NC3=O)F)CI)C
InChI: InChI=1S/C12H14FIN2O5/c1-12(2)20-7-6(3-14)19-10(8(7)21-12)16-4-5(13)9(17)15-11(16)18/h4,6-8,10H,3H2,1-2H3,(H,15,17,18)/t6-,7+,8+,10+/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)N=C2N([C@H]([C@@H](N2C(=O)OC(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C29H33N3O2/c1-21(22-15-9-6-10-16-22)30-27-31(5)25(23-17-11-7-12-18-23)26(24-19-13-8-14-20-24)32(27)28(33)34-29(2,3)4/h6-21,25-26H,1-5H3/t21-,25+,26+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@H](C(=O)OC1C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)OCOC)C)O
InChI: InChI=1S/C34H57NO9/c1-10-11-13-23(5)32(44-34(35)40)25(7)30(37)21(3)15-12-14-20(2)29(36)22(4)16-17-27(42-19-41-9)18-28-24(6)31(38)26(8)33(39)43-28/h10-14,16-17,20-32,36-38H,1,15,18-19H2,2-9H3,(H2,35,40)/b13-11-,14-12-,17-16-/t20-,21-,22-,23-,24-,25-,26+,27+,28?,29+,30+,31-,32-/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C(=O)NCCN(C)C)NCC(C4=CC=CC=C4)C5=CC=CC=C5)O)O
InChI: InChI=1S/C31H38N8O5/c1-4-32-29(42)25-23(40)24(41)31(44-25)39-18-35-22-26(36-27(37-28(22)39)30(43)33-15-16-38(2)3)34-17-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21,23-25,31,40-41H,4,15-17H2,1-3H3,(H,32,42)(H,33,43)(H,34,36,37)/t23-,24+,25-,31+/m0/s1
SMILES: C/C(=C\[C@H]1CC[C@H]2[C@]([C@]13CC(=O)OC3)(CCC4[C@@]2(C(=O)C=CC4(C)C)C)C)/C(=O)SC5=CC=C(C=C5)OC
InChI: InChI=1S/C32H40O5S/c1-20(28(35)38-23-10-8-22(36-6)9-11-23)17-21-7-12-25-30(4,32(21)18-27(34)37-19-32)16-13-24-29(2,3)15-14-26(33)31(24,25)5/h8-11,14-15,17,21,24-25H,7,12-13,16,18-19H2,1-6H3/b20-17+/t21-,24?,25+,30-,31+,32+/m1/s1
SMILES: CC(C)([C@H]1OC[C@H]([C@H](O1)C2=CN=CC=C2)C/C=C\CCC(=O)O)OC3=C(C=C(C=C3)OC)[N+](=O)[O-]
InChI: InChI=1S/C25H30N2O8/c1-25(2,35-21-12-11-19(32-3)14-20(21)27(30)31)24-33-16-18(8-5-4-6-10-22(28)29)23(34-24)17-9-7-13-26-15-17/h4-5,7,9,11-15,18,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-/t18-,23-,24+/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3C/C(=C\C5=CC=C(C=C5)OC)/[C@@H]4O)C)O
InChI: InChI=1S/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/b18-14+/t20-,22+,23-,24+,25-,26-,27+/m0/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)OCC3=CC=CC=C3)CCC(=C)C([C@H](C)CC4=CC=CC=C4)OC(=O)C)O
InChI: InChI=1S/C42H52O14/c1-7-25(2)22-26(3)18-19-32(44)54-35-34(45)40(21-20-27(4)33(53-29(6)43)28(5)23-30-14-10-8-11-15-30)55-36(37(46)52-24-31-16-12-9-13-17-31)41(51,38(47)48)42(35,56-40)39(49)50/h8-19,25-26,28,33-36,45,51H,4,7,20-24H2,1-3,5-6H3,(H,47,48)(H,49,50)/b19-18+/t25-,26+,28+,33?,34+,35+,36+,40-,41+,42-/m0/s1
SMILES: C=C1[C@@H]([C@H](NC(=O)N1)C2=C(C=CC=C2F)F)C(=O)NC3=CC=CC=C3C(F)(F)F
InChI: InChI=1S/C19H14F5N3O2/c1-9-14(17(28)26-13-8-3-2-5-10(13)19(22,23)24)16(27-18(29)25-9)15-11(20)6-4-7-12(15)21/h2-8,14,16H,1H2,(H,26,28)(H2,25,27,29)/t14-,16-/m0/s1
SMILES: C[C@@]12CC[C@@]3(C(=C1CC(CC2)(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C
InChI: InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h22-24,31H,9-19H2,1-8H3/t22-,23+,24-,27+,28-,29+,30+/m0/s1
SMILES: CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCC)O)O)O)O)O
InChI: InChI=1S/C36H68O12/c1-3-5-7-9-11-13-15-17-19-21-23-44-35-33(43)31(41)34(26(24-37)46-35)48-36-32(42)30(40)29(39)27(47-36)25-45-28(38)22-20-18-16-14-12-10-8-6-4-2/h26-27,29-37,39-43H,3-25H2,1-2H3/t26-,27-,29-,30+,31-,32-,33-,34-,35+,36-/m1/s1
SMILES: C[C@]12CC[C@@H]([14CH2][C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H](C4=O)Br)C)O
InChI: InChI=1S/C19H29BrO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h11-16,21H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16-,18-,19-/m0/s1/i9+2
SMILES: CC1([C@H]([C@H]1C(=O)NC2=CC=CC(=C2)C(F)(F)F)C=C(Cl)Cl)C
InChI: InChI=1S/C15H14Cl2F3NO/c1-14(2)10(7-11(16)17)12(14)13(22)21-9-5-3-4-8(6-9)15(18,19)20/h3-7,10,12H,1-2H3,(H,21,22)/t10-,12-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C=C5)OC)O)C(=O)N(C4=O)CCC(=O)O)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C31H28ClFN2O8/c1-31-19(28(40)35(30(31)42)15-4-7-21(33)20(32)12-15)13-18-16(26(31)14-3-8-23(43-2)22(36)11-14)5-6-17-25(18)29(41)34(27(17)39)10-9-24(37)38/h3-5,7-8,11-12,17-19,25-26,36H,6,9-10,13H2,1-2H3,(H,37,38)/t17-,18+,19-,25-,26-,31+/m0/s1
SMILES: CN1CC[C@@]([C@H](C1)C2=CC=CC=C2F)(C3=CC(=CC=C3)F)O
InChI: InChI=1S/C18H19F2NO/c1-21-10-9-18(22,13-5-4-6-14(19)11-13)16(12-21)15-7-2-3-8-17(15)20/h2-8,11,16,22H,9-10,12H2,1H3/t16-,18+/m1/s1
SMILES: CC(=CCC[C@@]1([C@H](C[C@]2(C(=O)/C(=C(/C3=CC(=C(C=C3)O)O)\O)/C(=O)[C@@]1(C2=O)CC=C(C)C)CC(CCC(=C)C)C(=C)C)CC=C(C)C)C)C
InChI: InChI=1S/C43H58O6/c1-26(2)13-12-21-41(11)33(18-15-28(5)6)25-42(24-32(30(9)10)16-14-27(3)4)38(47)36(37(46)31-17-19-34(44)35(45)23-31)39(48)43(41,40(42)49)22-20-29(7)8/h13,15,17,19-20,23,32-33,44-46H,3,9,12,14,16,18,21-22,24-25H2,1-2,4-8,10-11H3/b37-36+/t32?,33-,41+,42-,43+/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@H]3[C@H]2CC[C@]4([C@H]3CC[C@@]45CO5)C)O
InChI: InChI=1S/C20H30O2/c1-18-8-5-14(21)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19)12-22-20/h3,14-17,21H,4-12H2,1-2H3/t14-,15-,16+,17-,18-,19-,20+/m0/s1
SMILES: CCCC[C@H]([C@@H]\1CC[C@H]([C@@H](/C1=C\[Si](C)(C)C)CCC(=O)CCC(=O)OCC)C)C(=O)O
InChI: InChI=1S/C25H44O5Si/c1-7-9-10-22(25(28)29)21-14-11-18(3)20(23(21)17-31(4,5)6)15-12-19(26)13-16-24(27)30-8-2/h17-18,20-22H,7-16H2,1-6H3,(H,28,29)/b23-17+/t18-,20+,21+,22-/m1/s1
SMILES: C[C@@H]1CC2(C[C@H]([C@]1([C@@H]3C[C@@H](CCO2)C(O3)OC)C)CCCC(OC)OC)OC
InChI: InChI=1S/C22H40O6/c1-15-13-22(26-6)14-17(8-7-9-19(23-3)24-4)21(15,2)18-12-16(10-11-27-22)20(25-5)28-18/h15-20H,7-14H2,1-6H3/t15-,16-,17-,18+,20?,21+,22?/m1/s1
SMILES: C[C@@]12[C@@H](N3[C@H]([C@@H](O1)CO2)[C@@H](C3=O)N)C(=O)OC
InChI: InChI=1S/C10H14N2O5/c1-10-7(9(14)15-2)12-6(5(11)8(12)13)4(17-10)3-16-10/h4-7H,3,11H2,1-2H3/t4-,5-,6+,7-,10-/m0/s1
SMILES: C[C@@H]1[C@@H]2CCC3=C([C@@H]2OC1=O)C(=C(C=C3C)OC(=O)C)C
InChI: InChI=1S/C17H20O4/c1-8-7-14(20-11(4)18)10(3)15-12(8)5-6-13-9(2)17(19)21-16(13)15/h7,9,13,16H,5-6H2,1-4H3/t9-,13+,16-/m1/s1
SMILES: C1[C@@H]2[C@H](SC3=CC=CC=C3N=C2C4=C(O1)C=CC(=C4)F)C5=CC=CC=C5
InChI: InChI=1S/C22H16FNOS/c23-15-10-11-19-16(12-15)21-17(13-25-19)22(14-6-2-1-3-7-14)26-20-9-5-4-8-18(20)24-21/h1-12,17,22H,13H2/t17-,22+/m0/s1
SMILES: CCOC(=O)CC/C=C\C[C@@H]1CO[C@@H](O[C@@H]1C2=CC=CC=C2O[Si](C)(C)C(C)(C)C)C(C)(C)C3=CC=C(C=C3)/C(=C\CCCCC(=O)O)/C4=CN=CC=C4
InChI: InChI=1S/C45H61NO7Si/c1-9-50-41(49)25-15-10-12-19-35-32-51-43(52-42(35)38-22-16-17-23-39(38)53-54(7,8)44(2,3)4)45(5,6)36-28-26-33(27-29-36)37(34-20-18-30-46-31-34)21-13-11-14-24-40(47)48/h10,12,16-18,20-23,26-31,35,42-43H,9,11,13-15,19,24-25,32H2,1-8H3,(H,47,48)/b12-10-,37-21+/t35-,42+,43+/m1/s1
SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@@H](C2)O
InChI: InChI=1S/C19H24N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,16,18,22H,2,5,8-12H2,1H3/t16-,18-,19+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=C)[C@H]2C=C(S[C@@H]2C(=C)C3=CC=C(C=C3)C)C(=O)OC
InChI: InChI=1S/C24H24O2S/c1-15-6-10-19(11-7-15)17(3)21-14-22(24(25)26-5)27-23(21)18(4)20-12-8-16(2)9-13-20/h6-14,21,23H,3-4H2,1-2,5H3/t21-,23-/m1/s1
SMILES: C1=C(C=C(C(=C1C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O)O)[N+](=O)[O-]
InChI: InChI=1S/C17H17N7O8/c18-14-10-15(21-4-20-14)23(5-22-10)17-13(28)12(27)9(32-17)3-19-16(29)7-1-6(24(30)31)2-8(25)11(7)26/h1-2,4-5,9,12-13,17,25-28H,3H2,(H,19,29)(H2,18,20,21)/t9-,12-,13-,17-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
InChI: InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14-,15-,18+,19-,20-,21-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H](C(=O)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H50O5Si3/c1-21(2,3)29(10,11)25-16-17-18(27-30(12,13)22(4,5)6)19(20(24)26-17)28-31(14,15)23(7,8)9/h17-19H,16H2,1-15H3/t17-,18-,19-/m1/s1
SMILES: C[C@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)N4CC[C@@H]5CCCC[C@@H]5C4
InChI: InChI=1S/C22H29N3O2S/c1-14-6-7-17-18(10-14)28-21-20(17)22(27)25(13-23-21)12-19(26)24-9-8-15-4-2-3-5-16(15)11-24/h13-16H,2-12H2,1H3/t14-,15-,16+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]2[C@@]3(CC[C@@](O3)(OC[C@@]24CC[C@@]56C[C@@]57CC[C@@H](C([C@H]7CC[C@@H]6[C@@]4([C@@H]1O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C(C)(C)O)C
InChI: InChI=1S/C37H58O11/c1-19(38)46-26-27-32(6)12-15-37(48-32,31(4,5)43)45-18-36(27)14-13-35-17-34(35)11-10-23(47-29-25(41)24(40)20(39)16-44-29)30(2,3)21(34)8-9-22(35)33(36,7)28(26)42/h20-29,39-43H,8-18H2,1-7H3/t20-,21-,22-,23+,24+,25-,26-,27+,28-,29+,32+,33-,34-,35+,36+,37+/m1/s1
SMILES: C=C1[C@@H]([C@@H](NC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H13Cl3N2O2/c1-9-15(17(24)10-2-5-12(19)6-3-10)16(23-18(25)22-9)11-4-7-13(20)14(21)8-11/h2-8,15-16H,1H2,(H2,22,23,25)/t15-,16-/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4
InChI: InChI=1S/C19H16N2O3/c22-19(12-5-2-1-3-6-12)18-15-8-4-7-14(15)16-11-13(21(23)24)9-10-17(16)20-18/h1-7,9-11,14-15,18,20H,8H2/t14-,15+,18-/m1/s1
SMILES: CCCCCCOC1=CC=CC(=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3CC2=O
InChI: InChI=1S/C18H25NO4S/c1-2-3-4-5-9-23-16-8-6-7-15(11-16)19-17-13-24(21,22)12-14(17)10-18(19)20/h6-8,11,14,17H,2-5,9-10,12-13H2,1H3/t14-,17-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C22H22N2O5/c25-19(23-18-11-5-7-14-6-1-2-8-15(14)18)13-29-20(26)12-24-21(27)16-9-3-4-10-17(16)22(24)28/h1-2,5-8,11,16-17H,3-4,9-10,12-13H2,(H,23,25)/t16-,17-/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N
InChI: InChI=1S/C17H24N2O3S/c18-23(21,22)16-5-2-12(3-6-16)7-8-19-17(20)11-15-10-13-1-4-14(15)9-13/h2-3,5-6,13-15H,1,4,7-11H2,(H,19,20)(H2,18,21,22)/t13-,14+,15+/m0/s1
SMILES: COC1=CC(=C(C=C1N2C(=O)[C@@H]3[C@@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)OC)Cl
InChI: InChI=1S/C26H20ClNO4/c1-31-19-12-18(20(32-2)11-17(19)27)28-25(29)23-21-13-7-3-4-8-14(13)22(24(23)26(28)30)16-10-6-5-9-15(16)21/h3-12,21-24H,1-2H3/t21?,22?,23-,24-/m0/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=C(C(=CC=C4)F)O)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)NC5=O
InChI: InChI=1S/C22H15BrFNO5/c23-13-7-15(26)18-12(19(13)27)6-11-8(4-5-10-17(11)22(30)25-21(10)29)16(18)9-2-1-3-14(24)20(9)28/h1-4,7,10-11,16-17,28H,5-6H2,(H,25,29,30)/t10-,11+,16+,17-/m0/s1
SMILES: CCC[C@H]1[C@H]2COCC[C@H]2C(=O)N1S(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C17H23NO4S/c1-3-4-16-15-11-22-10-9-14(15)17(19)18(16)23(20,21)13-7-5-12(2)6-8-13/h5-8,14-16H,3-4,9-11H2,1-2H3/t14-,15+,16+/m1/s1
SMILES: C[C@@H]1CCCC2(C(O2)C[C@H](OC(=O)C[C@H](C(C(=O)[C@@H]([C@H]1O)CC=C)(C)C)O)/C(=C/C3=CC=CC=N3)/C)C
InChI: InChI=1S/C30H43NO6/c1-7-11-22-27(34)19(2)12-10-14-30(6)25(37-30)17-23(20(3)16-21-13-8-9-15-31-21)36-26(33)18-24(32)29(4,5)28(22)35/h7-9,13,15-16,19,22-25,27,32,34H,1,10-12,14,17-18H2,2-6H3/b20-16+/t19-,22-,23+,24-,25?,27+,30?/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5CC=C([C@@H]([C@@]5(C4=O)C)C6=C(C7=CC=CC=C7C=C6)O)C=C)C
InChI: InChI=1S/C34H28ClN3O3S/c1-5-19-11-14-25-32(40)38(28-17-26(36-37(28)4)31-18(2)24-16-21(35)12-15-27(24)42-31)33(41)34(25,3)29(19)23-13-10-20-8-6-7-9-22(20)30(23)39/h5-13,15-17,25,29,39H,1,14H2,2-4H3/t25-,29+,34+/m0/s1
SMILES: CC[C@H]1CN2CC[C@H]1CC2[C@@H](C3=C4C=CC=C(C4=NC=C3)NC(=O)C5=C(C=C(C=C5)N=[N+]=[N-])O)O
InChI: InChI=1S/C26H28N6O3/c1-2-15-14-32-11-9-16(15)12-22(32)25(34)19-8-10-28-24-18(19)4-3-5-21(24)29-26(35)20-7-6-17(30-31-27)13-23(20)33/h3-8,10,13,15-16,22,25,33-34H,2,9,11-12,14H2,1H3,(H,29,35)/t15-,16-,22?,25+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CC2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C17H22N2O5/c1-12-6-2-4-8-14(12)18-16(20)11-24-17(21)10-13-7-3-5-9-15(13)19(22)23/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,18,20)/t12-,14-/m1/s1
SMILES: COC(=O)C1=CCC[C@H]2[C@@H]1CC(=O)N(C2)CCC3=CNC4=CC=CC=C43
InChI: InChI=1S/C21H24N2O3/c1-26-21(25)17-7-4-5-15-13-23(20(24)11-18(15)17)10-9-14-12-22-19-8-3-2-6-16(14)19/h2-3,6-8,12,15,18,22H,4-5,9-11,13H2,1H3/t15-,18+/m1/s1
SMILES: CO[C@@H]1[C@]23CCCC[C@@H]2CC[C@](O1)(OO3)C4=CC=C(C=C4)CO
InChI: InChI=1S/C18H24O5/c1-20-16-17-10-3-2-4-14(17)9-11-18(21-16,23-22-17)15-7-5-13(12-19)6-8-15/h5-8,14,16,19H,2-4,9-12H2,1H3/t14-,16+,17+,18+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(C(=C4C(=C3)OC5=CC(=C(C=C5C4=O)OC)O)O)OC)CO)O)O)O)O)O
InChI: InChI=1S/C27H32O16/c1-8-17(30)21(34)23(36)26(39-8)43-25-22(35)19(32)15(7-28)42-27(25)41-14-6-13-16(20(33)24(14)38-3)18(31)9-4-12(37-2)10(29)5-11(9)40-13/h4-6,8,15,17,19,21-23,25-30,32-36H,7H2,1-3H3/t8-,15+,17-,19+,21+,22-,23+,25+,26-,27+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C6=CC=CC=C6C=C5)O)C(=O)N(C4=O)C7=CC=CC=C7)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C37H30N2O5/c1-37-29(34(42)39(36(37)44)23-13-6-3-7-14-23)20-28-25(31(37)27-17-16-21-10-8-9-15-24(21)32(27)40)18-19-26-30(28)35(43)38(33(26)41)22-11-4-2-5-12-22/h2-18,26,28-31,40H,19-20H2,1H3/t26-,28+,29-,30-,31+,37+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)CF)OS(=O)(=O)O
InChI: InChI=1S/C19H23FO5S/c1-19-7-6-13-14(16(19)4-5-18(19)21)3-2-11-9-17(25-26(22,23)24)12(10-20)8-15(11)13/h8-9,13-14,16H,2-7,10H2,1H3,(H,22,23,24)/t13-,14+,16-,19-/m0/s1
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H](C[C@@H](O2)OC3C4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OC(=O)NCC8COC(O8)(C)C)OC)O
InChI: InChI=1S/C36H43NO15/c1-16-43-14-27-32(48-16)22(38)10-28(49-27)50-31-20-9-24-23(45-15-46-24)8-19(20)29(30-21(31)13-44-34(30)39)17-6-25(41-4)33(26(7-17)42-5)51-35(40)37-11-18-12-47-36(2,3)52-18/h6-9,16,18,21-22,27-32,38H,10-15H2,1-5H3,(H,37,40)/t16-,18?,21?,22-,27-,28+,29-,30+,31?,32+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=C(C=C2)OC(F)F)OC
InChI: InChI=1S/C16H18F2N2O5/c1-4-24-14(21)12-8(2)19-16(22)20-13(12)9-5-6-10(25-15(17)18)11(7-9)23-3/h5-7,12-13,15H,2,4H2,1,3H3,(H2,19,20,22)/t12-,13+/m0/s1
SMILES: C1[C@@H]2C[C@H]([C@H]1C=C2)CNCCNS(=O)(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C16H21ClN2O2S/c17-15-3-5-16(6-4-15)22(20,21)19-8-7-18-11-14-10-12-1-2-13(14)9-12/h1-6,12-14,18-19H,7-11H2/t12-,13+,14+/m1/s1
SMILES: C1C=C[C@@H]([C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)O)Cl
InChI: InChI=1S/C14H12ClNO3/c15-11-3-1-2-10-12(11)14(19)16(13(10)18)8-4-6-9(17)7-5-8/h1,3-7,10-12,17H,2H2/t10-,11+,12+/m1/s1
SMILES: C1[C@@H]2[C@@H]3[C@@H]4[C@H]1[C@H]([C@H]2OC3=O)OC4=O
InChI: InChI=1S/C9H8O4/c10-8-4-2-1-3-5(4)9(11)13-7(3)6(2)12-8/h2-7H,1H2/t2-,3+,4-,5+,6+,7-
SMILES: C1CC[C@@H]2C(=NN([C@]2(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Cl)CC1
InChI: InChI=1S/C16H16ClF3N2O2/c17-11-8-6-10(7-9-11)14(23)22-15(24,16(18,19)20)12-4-2-1-3-5-13(12)21-22/h6-9,12,24H,1-5H2/t12-,15+/m1/s1
SMILES: CC[C@@H]1[C@@](/C=C\C(=O)[C@@H](C[C@@H](/C=C(\C(=O)[C@H](C(=O)O1)C)/C)C)C)(C)O
InChI: InChI=1S/C20H30O5/c1-7-17-20(6,24)9-8-16(21)13(3)10-12(2)11-14(4)18(22)15(5)19(23)25-17/h8-9,11-13,15,17,24H,7,10H2,1-6H3/b9-8-,14-11-/t12-,13+,15+,17+,20-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@@]23CN(C(=O)O3)C[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC8=CC=CC=C8S7)C
InChI: InChI=1S/C42H51NO4S/c1-26-8-7-18-41(4)34(17-19-42(41)25-43(39(46)47-42)24-29-13-14-30-23-35(29)40(30,2)3)32-16-12-27(20-31(44)15-11-26)21-33(32)38(45)37-22-28-9-5-6-10-36(28)48-37/h5-6,8-10,12,16,21-22,29-31,34-35,44H,7,11,13-15,17-20,23-25H2,1-4H3/t29-,30-,31-,34-,35-,41-,42+/m0/s1
SMILES: C[C@H]1C=C([C@@H]2[C@H]([C@]1(CO[C@@H]2C3=CC=CC=C3)COC(=O)CN4CCCCC4)C)C
InChI: InChI=1S/C25H35NO3/c1-18-14-19(2)25(16-28-22(27)15-26-12-8-5-9-13-26)17-29-24(23(18)20(25)3)21-10-6-4-7-11-21/h4,6-7,10-11,14,19-20,23-24H,5,8-9,12-13,15-17H2,1-3H3/t19-,20+,23+,24+,25-/m0/s1
SMILES: C[C@@H]1[C@H](/C(=C/CC/C(=C\C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C2=CSC(=C2)C)/C)/C)/C)O
InChI: InChI=1S/C28H40O5S/c1-17-9-8-10-18(2)26(31)21(5)27(32)28(6,7)24(29)15-25(30)33-23(12-11-17)19(3)13-22-14-20(4)34-16-22/h10-11,13-14,16,21,23-24,26,29,31H,8-9,12,15H2,1-7H3/b17-11-,18-10+,19-13+/t21-,23+,24+,26+/m1/s1
SMILES: COC1=CC(=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)CC7=CC=CS7)Br
InChI: InChI=1S/C32H24BrCl2FN2O6S/c1-44-23-12-15(33)11-21(26(23)39)25-19-8-9-20-24(28(41)37(27(20)40)14-18-3-2-10-45-18)22(19)13-31(34)29(42)38(30(43)32(25,31)35)17-6-4-16(36)5-7-17/h2-8,10-12,20,22,24-25,39H,9,13-14H2,1H3/t20-,22+,24-,25+,31+,32-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NCCC3=CC=C(C=C3)OC
InChI: InChI=1S/C21H27N3O5/c1-14-5-3-4-6-17(14)24-20(27)19(26)23(21(24)28)13-18(25)22-12-11-15-7-9-16(29-2)10-8-15/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,22,25)/t14-,17-/m1/s1
SMILES: CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C[C@H]4CCCO4)O2
InChI: InChI=1S/C18H25NO5/c1-11(2)9-23-17(21)14-13-5-6-18(24-13)10-19(16(20)15(14)18)8-12-4-3-7-22-12/h5-6,11-15H,3-4,7-10H2,1-2H3/t12-,13-,14-,15+,18-/m1/s1
SMILES: CCCC(=O)N(CC1CC1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C25H34N2O7/c1-3-4-20(30)27(12-14-5-6-14)18-11-17(25(32)26-7-8-28)21-16-9-15(13-29)10-19(33-2)23(16)34-24(21)22(18)31/h9-11,14,18,21-22,24,28-29,31H,3-8,12-13H2,1-2H3,(H,26,32)/t18-,21+,22+,24+/m1/s1
SMILES: COC(CCl)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI: InChI=1S/C12H17ClN2O6/c1-20-8(3-13)6-4-15(12(19)14-11(6)18)10-2-7(17)9(5-16)21-10/h4,7-10,16-17H,2-3,5H2,1H3,(H,14,18,19)/t7-,8?,9+,10+/m0/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=N\NC(=O)C3=CC4=C(S3)CCC4
InChI: InChI=1S/C17H18N2O2S/c1-10-7-13(10)14-6-5-12(21-14)9-18-19-17(20)16-8-11-3-2-4-15(11)22-16/h5-6,8-10,13H,2-4,7H2,1H3,(H,19,20)/b18-9-/t10-,13+/m0/s1
SMILES: C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@H]([C@H](C1)O)[C@@H](C(=O)O3)CN4CCOCC4)C
InChI: InChI=1S/C19H29NO5/c1-12-4-3-5-19(2)17(25-19)16-15(14(21)10-12)13(18(22)24-16)11-20-6-8-23-9-7-20/h4,13-17,21H,3,5-11H2,1-2H3/b12-4+/t13-,14-,15-,16-,17+,19+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=C2Br)/C=C/C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)C=C)CCC6=C3C=CC(=C6)OC
InChI: InChI=1S/C36H35BrO2/c1-4-23-5-7-24(8-6-23)25-9-11-26(12-10-25)34(38)18-14-28-22-33-32-16-13-27-21-29(39-3)15-17-30(27)31(32)19-20-36(33,2)35(28)37/h4-12,14-15,17-18,21,31-33H,1,13,16,19-20,22H2,2-3H3/b18-14+/t31-,32-,33+,36+/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@H]([C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)SC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)O
InChI: InChI=1S/C56H49N3O7S/c1-63-46-32-28-41(29-33-46)55(40-20-10-4-11-21-40,42-30-34-47(64-2)35-31-42)65-38-48-50(60)51(53(66-48)59-37-36-49(58-54(59)62)57-52(61)39-18-8-3-9-19-39)67-56(43-22-12-5-13-23-43,44-24-14-6-15-25-44)45-26-16-7-17-27-45/h3-37,48,50-51,53,60H,38H2,1-2H3,(H,57,58,61,62)/t48-,50-,51-,53-/m1/s1
SMILES: C1=C(C(=C(C=[N+]1CC(CCC(C(=O)O)N)OC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)CC(C(=O)O)N)CCC(C(=O)O)N
InChI: InChI=1S/C24H38N4O13/c25-13(21(34)35)3-1-10-6-28(8-16(30)12(10)5-15(27)23(38)39)7-11(2-4-14(26)22(36)37)40-24-20(33)19(32)18(31)17(9-29)41-24/h6,8,11,13-15,17-20,24,29,31-33H,1-5,7,9,25-27H2,(H3-,30,34,35,36,37,38,39)/p+1/t11?,13?,14?,15?,17-,18+,19+,20-,24?/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)O)OCC4=CC=CC=C4)O
InChI: InChI=1S/C34H46O6Si/c1-34(2,3)41(4,5)40-24-28-29(35)32(38-22-26-17-11-7-12-18-26)30(36)33(39-23-27-19-13-8-14-20-27)31(28)37-21-25-15-9-6-10-16-25/h6-20,28-33,35-36H,21-24H2,1-5H3/t28-,29-,30+,31+,32+,33+/m0/s1
SMILES: CC(=O)OCC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)C
InChI: InChI=1S/C19H32O15/c1-7(21)29-4-9(32-8(2)22)5-30-18-17(28)15(26)13(24)11(34-18)6-31-19-16(27)14(25)12(23)10(3-20)33-19/h9-20,23-28H,3-6H2,1-2H3/t9?,10-,11-,12+,13+,14+,15+,16-,17-,18-,19?/m1/s1