EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)OC)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O)O)O)OC(=O)C
InChI: InChI=1S/C37H44O17/c1-15(2)7-12-21-22(40)13-23(41)25-27(43)34(32(52-33(21)25)19-8-10-20(47-6)11-9-19)53-37-30(46)35(31(16(3)49-37)50-18(5)39)54-36-29(45)28(44)26(42)24(51-36)14-48-17(4)38/h7-11,13,16,24,26,28-31,35-37,40-42,44-46H,12,14H2,1-6H3/t16-,24+,26+,28-,29+,30+,31-,35-,36-,37-/m0/s1
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)COC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C25H26F2N2O6/c1-14-11-20(15(2)29(14)16-7-9-17(10-8-16)35-25(26)27)21(30)13-34-22(31)12-28-23(32)18-5-3-4-6-19(18)24(28)33/h7-11,18-19,25H,3-6,12-13H2,1-2H3/t18-,19+
SMILES: CC(=O)N[C@@]12[C@H]3C[C@@H]([C@H]1C4=CN(C5=CC=CC=C54)C(=O)C)[C@@H]([C@H]3OC2=O)I
InChI: InChI=1S/C20H19IN2O4/c1-9(24)22-20-14-7-12(17(21)18(14)27-19(20)26)16(20)13-8-23(10(2)25)15-6-4-3-5-11(13)15/h3-6,8,12,14,16-18H,7H2,1-2H3,(H,22,24)/t12-,14-,16-,17-,18-,20-/m0/s1
SMILES: C1CN(CCC1CCCC2=CC=CC=C2)C[C@H]3CC(C[C@@H]3C4=CC=CC=C4)CC(=O)O
InChI: InChI=1S/C28H37NO2/c30-28(31)20-24-18-26(27(19-24)25-12-5-2-6-13-25)21-29-16-14-23(15-17-29)11-7-10-22-8-3-1-4-9-22/h1-6,8-9,12-13,23-24,26-27H,7,10-11,14-21H2,(H,30,31)/t24?,26-,27-/m1/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(CC5=CC=C(C=C5)F)C(=O)C6CC6)OCC=C
InChI: InChI=1S/C43H56FN3O8/c1-4-23-52-43-38(47(41(50)29-15-16-29)27-28-13-17-31(44)18-14-28)26-36(46-53-6-3)34-24-30(11-7-9-21-48)33(12-8-10-22-49)39(40(34)43)35-25-32(19-20-37(35)55-43)54-42(51)45-5-2/h4,13-14,17-20,24-25,29-30,33,38-40,48-49H,1,5-12,15-16,21-23,26-27H2,2-3H3,(H,45,51)/t30-,33+,38-,39+,40+,43+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)NC(=O)CC(C)(C)C(=O)O)C)C(=O)O
InChI: InChI=1S/C36H57NO5/c1-21(2)22-12-17-36(30(41)42)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(37-27(38)20-31(3,4)29(39)40)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,37,38)(H,39,40)(H,41,42)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
SMILES: CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)NCCC3=CC=C(C=C3)F)O)O)N4C=CC(=O)NC4=O)O
InChI: InChI=1S/C25H29FN4O11/c1-38-18-17(34)23(30-9-7-15(32)29-25(30)37)40-19(18)20(21(27)35)41-24-16(33)13(31)10-14(39-24)22(36)28-8-6-11-2-4-12(26)5-3-11/h2-5,7,9-10,13,16-20,23-24,31,33-34H,6,8H2,1H3,(H2,27,35)(H,28,36)(H,29,32,37)/t13-,16-,17+,18-,19-,20+,23+,24+/m0/s1
SMILES: C[C@@H]1CN(CC[C@@H]1C(=O)O)[C@@H]2CC[C@](C2)(C(C)C)C(=O)N3CC4=C(C=CC(=C4)C(F)(F)F)OC3
InChI: InChI=1S/C25H33F3N2O4/c1-15(2)24(8-6-19(11-24)29-9-7-20(22(31)32)16(3)12-29)23(33)30-13-17-10-18(25(26,27)28)4-5-21(17)34-14-30/h4-5,10,15-16,19-20H,6-9,11-14H2,1-3H3,(H,31,32)/t16-,19-,20+,24+/m1/s1
SMILES: C1=CC(=CC=C1CN2[C@@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)N=N2)F
InChI: InChI=1S/C17H12F2N4O2/c18-11-3-1-10(2-4-11)9-22-15-14(20-21-22)16(24)23(17(15)25)13-7-5-12(19)6-8-13/h1-8,14-15H,9H2/t14-,15-/m1/s1
SMILES: C[C@@]12CCC[C@]13CCC[C@@]3([C@@H](CO2)CC4=CC=CC=C4)O
InChI: InChI=1S/C19H26O2/c1-17-9-5-10-18(17)11-6-12-19(18,20)16(14-21-17)13-15-7-3-2-4-8-15/h2-4,7-8,16,20H,5-6,9-14H2,1H3/t16-,17-,18+,19+/m1/s1
SMILES: CCS(=O)(=O)N1CCC[C@H](C1)C(=O)N[C@@H]2CCC[C@@H]([C@@H]2C)C
InChI: InChI=1S/C16H30N2O3S/c1-4-22(20,21)18-10-6-8-14(11-18)16(19)17-15-9-5-7-12(2)13(15)3/h12-15H,4-11H2,1-3H3,(H,17,19)/t12-,13-,14+,15+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)[C@H](C/C=C/CCBr)OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
InChI: InChI=1S/C36H39BrN2O7/c1-24-23-39(35(42)38-34(24)41)32-22-30(40)33(45-32)31(12-8-5-9-21-37)46-36(25-10-6-4-7-11-25,26-13-17-28(43-2)18-14-26)27-15-19-29(44-3)20-16-27/h4-8,10-11,13-20,23,30-33,40H,9,12,21-22H2,1-3H3,(H,38,41,42)/b8-5+/t30-,31-,32+,33-/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)CN3C[C@@H]3C(=O)N)C(=O)O)O
InChI: InChI=1S/C12H15N3O5S/c1-4(16)7-10(18)15-8(12(19)20)6(21-11(7)15)3-14-2-5(14)9(13)17/h4-5,7,11,16H,2-3H2,1H3,(H2,13,17)(H,19,20)/t4-,5-,7+,11-,14?/m1/s1
SMILES: CC1=NN(C2=C1[C@@H]([C@H]3C(=O)CC(C=C3N2)(C)C)C4=CC=CC=C4)CCC5=NC(=CS5)C6=CC=CO6
InChI: InChI=1S/C28H28N4O2S/c1-17-24-25(18-8-5-4-6-9-18)26-19(14-28(2,3)15-21(26)33)30-27(24)32(31-17)12-11-23-29-20(16-35-23)22-10-7-13-34-22/h4-10,13-14,16,25-26,30H,11-12,15H2,1-3H3/t25-,26+/m0/s1
SMILES: CC(=C)C1CCC(=CC1)CO[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/C24H34O10/c1-13(2)19-9-7-18(8-10-19)11-30-24-23(33-17(6)28)22(32-16(5)27)21(31-15(4)26)20(34-24)12-29-14(3)25/h7,19-24H,1,8-12H2,2-6H3/t19?,20-,21-,22+,23-,24-/m1/s1
SMILES: CN(CCO)C(=O)OCC1=CS[C@@H]2[C@@H](C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC=O
InChI: InChI=1S/C26H27N3O7S/c1-28(12-13-30)26(34)35-14-19-15-37-24-20(27-16-31)23(32)29(24)21(19)25(33)36-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,15-16,20-22,24,30H,12-14H2,1H3,(H,27,31)/t20-,21?,24-/m1/s1
SMILES: CCOC1=CC=C(C=C1)N[C@@]23[C@H](CCC4=CC=CC=C42)C(=O)CS3
InChI: InChI=1S/C20H21NO2S/c1-2-23-16-10-8-15(9-11-16)21-20-17-6-4-3-5-14(17)7-12-18(20)19(22)13-24-20/h3-6,8-11,18,21H,2,7,12-13H2,1H3/t18-,20+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CC4=CCCCC4)[C@]5(C2=O)[C@@H]([C@H]6C(=O)O[C@@H]([C@@H](N6[C@@H]5C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)N1CCN(CC1)C1=NC=CC=N1
InChI: InChI=1S/C60H57N7O7/c1-40(43-19-8-3-9-20-43)63-59(72)66-48-30-29-42(28-27-41-17-6-2-7-18-41)39-47(48)60(57(66)71)50(55(69)64-33-35-65(36-34-64)58-61-31-16-32-62-58)52-56(70)74-53(45-23-12-5-13-24-45)51(44-21-10-4-11-22-44)67(52)54(60)46-25-14-15-26-49(46)73-38-37-68/h3-5,8-17,19-26,29-32,39-40,50-54,68H,2,6-7,18,33-38H2,1H3,(H,63,72)/t40-,50+,51+,52+,53-,54-,60+/m1/s1
SMILES: C[C@H]1[C@@H](OC(O[C@H]1[C@@H](C)C=O)(C)C)C2=CC(=C(C(=C2OC)OC)C)OC
InChI: InChI=1S/C20H30O6/c1-11(10-21)16-13(3)17(26-20(4,5)25-16)14-9-15(22-6)12(2)18(23-7)19(14)24-8/h9-11,13,16-17H,1-8H3/t11-,13+,16-,17+/m0/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C3=NC=C(N3)C4=CC=C(C=C4)SC)/C)[C@H](C)O
InChI: InChI=1S/C26H36N2O5S/c1-14(10-23-27-12-20(28-23)17-5-7-19(34-4)8-6-17)9-21-25(31)24(30)18(13-32-21)11-22-26(33-22)15(2)16(3)29/h5-8,10,12,15-16,18,21-22,24-26,29-31H,9,11,13H2,1-4H3,(H,27,28)/b14-10+/t15-,16-,18-,21-,22-,24+,25-,26-/m0/s1
SMILES: CC1=C([C@H]2[C@H](O1)N(C3=CC=CC=C3N2C(=O)C)CC=C)C(=O)C
InChI: InChI=1S/C18H20N2O3/c1-5-10-19-14-8-6-7-9-15(14)20(13(4)22)17-16(11(2)21)12(3)23-18(17)19/h5-9,17-18H,1,10H2,2-4H3/t17-,18-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]2CC[C@@]([C@H]1NC(=O)C)(C2(C)C)C
InChI: InChI=1S/C14H24N2O2/c1-8(17)15-11-10-6-7-14(5,13(10,3)4)12(11)16-9(2)18/h10-12H,6-7H2,1-5H3,(H,15,17)(H,16,18)/t10-,11-,12+,14+/m1/s1
SMILES: CC1=NSC2=C1N=C(N2[C@H]3[C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)SC
InChI: InChI=1S/C32H33N3O4S2/c1-22-27-31(41-34-22)35(32(33-27)40-2)30-29(38-20-25-16-10-5-11-17-25)28(37-19-24-14-8-4-9-15-24)26(39-30)21-36-18-23-12-6-3-7-13-23/h3-17,26,28-30H,18-21H2,1-2H3/t26-,28-,29+,30-/m1/s1
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)OC(=O)COC(=O)C4=CC=CC(=C4)CN5CCN(CC5)C)O)(C)C)O)C)O)C=C
InChI: InChI=1S/C35H50N2O9/c1-8-32(4)19-25(39)35(43)33(5)24(38)12-13-31(2,3)28(33)27(41)29(34(35,6)46-32)45-26(40)21-44-30(42)23-11-9-10-22(18-23)20-37-16-14-36(7)15-17-37/h8-11,18,24,27-29,38,41,43H,1,12-17,19-21H2,2-7H3/t24-,27-,28-,29-,32-,33-,34+,35-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](NS(=O)(=O)C2=CC=C(C=C2)C)OC(C)C)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C28H39NO5S/c1-19(2)33-26(29-35(31,32)23-15-12-20(3)13-16-23)27(30)34-25-18-21(4)14-17-24(25)28(5,6)22-10-8-7-9-11-22/h7-13,15-16,19,21,24-26,29H,14,17-18H2,1-6H3/t21-,24-,25-,26+/m1/s1
SMILES: C1C[C@H]2C[C@H]1[C@H]3[C@H]2C4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5Cl)N[C@H]3C6=CC=CC=C6
InChI: InChI=1S/C27H25ClN2O/c28-21-8-4-5-9-23(21)30-27(31)19-12-13-22-20(15-19)24-17-10-11-18(14-17)25(24)26(29-22)16-6-2-1-3-7-16/h1-9,12-13,15,17-18,24-26,29H,10-11,14H2,(H,30,31)/t17-,18-,24+,25-,26-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=S)C#N)C3=CC=CC=C3)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H21N3O8S/c1-11(26)30-10-16-18(31-12(2)27)19(32-13(3)28)21(33-16)25-17(14-7-5-4-6-8-14)15(9-23)20(29)24-22(25)34/h4-8,16,18-19,21H,10H2,1-3H3,(H,24,29,34)/t16-,18-,19-,21-/m1/s1
SMILES: COC(=O)CCC1=CC=CC=C1C[C@H]2[C@@H]3CC[C@H]([C@H]2C4=NC(=CO4)C(=O)N)O3
InChI: InChI=1S/C21H24N2O5/c1-26-18(24)9-6-12-4-2-3-5-13(12)10-14-16-7-8-17(28-16)19(14)21-23-15(11-27-21)20(22)25/h2-5,11,14,16-17,19H,6-10H2,1H3,(H2,22,25)/t14-,16-,17+,19-/m0/s1
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=COC7=C(C6)C=C(C=C7)O)C8=CC=C(C=C8)OC)NC9=C(C=C(C=C9)Cl)Cl)[N+](=O)[O-]
InChI: InChI=1S/C44H36Cl2N6O11/c1-48(2)39-34(51(58)59)17-25(18-35(39)52(60)61)49-40(54)29-11-10-28-30(37(29)42(49)56)19-31-41(55)50(47-33-12-6-24(45)16-32(33)46)43(57)44(31,23-4-8-27(62-3)9-5-23)38(28)22-14-21-15-26(53)7-13-36(21)63-20-22/h4-10,12-13,15-18,20,29-31,37-38,47,53H,11,14,19H2,1-3H3/t29-,30+,31-,37-,38-,44+/m0/s1
SMILES: C1[C@H]2C[C@H]([C@H]1C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=CC=C4
InChI: InChI=1S/C19H18N2O3S/c22-17(10-24-18(23)15-9-12-6-7-14(15)8-12)21-19-20-16(11-25-19)13-4-2-1-3-5-13/h1-7,11-12,14-15H,8-10H2,(H,20,21,22)/t12-,14-,15+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C(=O)CCl)C)C
InChI: InChI=1S/C23H33ClO3/c1-14(25)27-16-8-10-22(2)15(12-16)4-5-17-18-6-7-20(21(26)13-24)23(18,3)11-9-19(17)22/h4,16-20H,5-13H2,1-3H3/t16-,17-,18-,19-,20+,22-,23-/m0/s1
SMILES: CC1(OC[C@H]2[C@H](O1)C[C@@H]([C@@H]2C/C=C\CCCC(=O)OC)O)C
InChI: InChI=1S/C17H28O5/c1-17(2)21-11-13-12(14(18)10-15(13)22-17)8-6-4-5-7-9-16(19)20-3/h4,6,12-15,18H,5,7-11H2,1-3H3/b6-4-/t12-,13-,14+,15-/m1/s1
SMILES: CCOC(=O)[C@@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CC=C3F)C(=O)N(C2=O)C)CCSC
InChI: InChI=1S/C19H23FN2O4S/c1-4-26-18(25)19(9-10-27-3)14-13(16(23)22(2)17(14)24)15(21-19)11-7-5-6-8-12(11)20/h5-8,13-15,21H,4,9-10H2,1-3H3/t13-,14+,15-,19-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](O2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C15H11NO4/c17-13(10-4-2-1-3-5-10)15-14(20-15)11-6-8-12(9-7-11)16(18)19/h1-9,14-15H/t14-,15-/m0/s1
SMILES: C[N+]12CCC[C@]34[C@@H]1[C@@]5(CC2)C6=CC=CC=C6N[C@@]5(CC3)[C@@H](C4)C(=O)OC
InChI: InChI=1S/C22H29N2O2/c1-24-12-5-8-20-9-10-22(16(14-20)18(25)26-2)21(11-13-24,19(20)24)15-6-3-4-7-17(15)23-22/h3-4,6-7,16,19,23H,5,8-14H2,1-2H3/q+1/t16-,19+,20-,21+,22-,24?/m0/s1
SMILES: CC1([C@@H]([C@H]1C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C=C(Cl)Cl)C
InChI: InChI=1S/C15H15Cl2NO4/c1-15(2)11(7-12(16)17)13(15)14(19)22-8-9-4-3-5-10(6-9)18(20)21/h3-7,11,13H,8H2,1-2H3/t11-,13+/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)OC)S(=O)(=O)C1)C(=O)NCC(=O)O
InChI: InChI=1S/C13H16N2O9S/c1-6(16)24-4-7-5-25(21,22)13-10(23-2)12(20)15(13)9(7)11(19)14-3-8(17)18/h10,13H,3-5H2,1-2H3,(H,14,19)(H,17,18)/t10-,13+/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC(=C4)S(=O)(=O)O)C(=O)O
InChI: InChI=1S/C19H18N6O8S3/c1-33-23-12(11-8-35-19(20)21-11)15(26)22-13-16(27)25-14(18(28)29)9(7-34-17(13)25)5-24-4-2-3-10(6-24)36(30,31)32/h2-4,6,8,13,17H,5,7H2,1H3,(H4-,20,21,22,26,28,29,30,31,32)/p+1/b23-12-/t13-,17-/m1/s1
SMILES: COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)S[C@H]4CS(=O)(=O)C[C@@H]4O
InChI: InChI=1S/C19H25N3O4S2/c1-26-15-9-7-13(8-10-15)18-20-21-19(22(18)14-5-3-2-4-6-14)27-17-12-28(24,25)11-16(17)23/h7-10,14,16-17,23H,2-6,11-12H2,1H3/t16-,17-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C2=C(NC1=O)N(C(=O)N(C2=O)C)C)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H18ClN3O5/c1-4-27-17(25)13-11(9-5-7-10(19)8-6-9)12-14(20-15(13)23)21(2)18(26)22(3)16(12)24/h5-8,11,13H,4H2,1-3H3,(H,20,23)/t11-,13+/m0/s1
SMILES: CCC1=CC=C(C=C1)CO[C@H]2C[C@@H](O[C@@H]2COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6C=C(C(=O)NC6=O)F
InChI: InChI=1S/C37H35FN2O5/c1-2-26-18-20-27(21-19-26)24-43-32-22-34(40-23-31(38)35(41)39-36(40)42)45-33(32)25-44-37(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-21,23,32-34H,2,22,24-25H2,1H3,(H,39,41,42)/t32-,33+,34+/m0/s1
SMILES: CC(C)(C)C(=O)OCC1=C[C@@H]2[C@@H]3[C@H]1[C@@H]4[C@H]2[C@@H]4C3
InChI: InChI=1S/C15H20O2/c1-15(2,3)14(16)17-6-7-4-8-9-5-10-12(8)13(10)11(7)9/h4,8-13H,5-6H2,1-3H3/t8-,9-,10+,11+,12-,13-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@H]3C(=N2)C4CCN3CC4)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C21H22N4O4S/c1-14-5-7-18(8-6-14)30(28,29)24-20(16-3-2-4-17(13-16)25(26)27)21-19(22-24)15-9-11-23(21)12-10-15/h2-8,13,15,20-21H,9-12H2,1H3/t20-,21+/m0/s1
SMILES: C[Si](C)(C)CCOCO[C@@H]1CN(N(C(=O)N([C@@H]1CC2=CC=CC=C2)CC3=CC=C(C=C3)CO)CC4=CC=C(C=C4)CO)CC5=CC=CC=C5
InChI: InChI=1S/C40H51N3O5Si/c1-49(2,3)23-22-47-31-48-39-28-41(25-33-12-8-5-9-13-33)43(27-35-16-20-37(30-45)21-17-35)40(46)42(26-34-14-18-36(29-44)19-15-34)38(39)24-32-10-6-4-7-11-32/h4-21,38-39,44-45H,22-31H2,1-3H3/t38-,39-/m1/s1
SMILES: COC(=O)[C@H](C1=CC=CC=C1)N[C@@H]2CCC=C[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C21H23NO2/c1-24-21(23)20(17-12-6-3-7-13-17)22-19-15-9-8-14-18(19)16-10-4-2-5-11-16/h2-8,10-14,18-20,22H,9,15H2,1H3/t18-,19+,20-/m0/s1
SMILES: CC(C)(C)[C@@H]1CCC(=O)[C@H]1[S@](=O)C2=CC(=C(C(=C2)C(C)(C)C)OC)C(C)(C)C
InChI: InChI=1S/C24H38O3S/c1-22(2,3)16-11-12-19(25)21(16)28(26)15-13-17(23(4,5)6)20(27-10)18(14-15)24(7,8)9/h13-14,16,21H,11-12H2,1-10H3/t16-,21+,28-/m1/s1
SMILES: CCCN1C(=O)[C@@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@@H]2C[NH+](CC4)C)C(=O)N(C1=O)C
InChI: InChI=1S/C20H25N5O5/c1-4-7-24-18(27)20(17(26)22(3)19(24)28)11-13-10-14(25(29)30)5-6-15(13)23-9-8-21(2)12-16(20)23/h5-6,10,16H,4,7-9,11-12H2,1-3H3/p+1/t16-,20-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)NC=O)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/C28H37NO19/c1-11(31)39-8-18-21(22(42-14(4)34)24(44-16(6)36)25(46-18)27(38)29-10-30)48-28-26(45-17(7)37)23(43-15(5)35)20(41-13(3)33)19(47-28)9-40-12(2)32/h10,18-26,28H,8-9H2,1-7H3,(H,29,30,38)/t18-,19-,20-,21-,22+,23+,24-,25-,26-,28-/m1/s1
SMILES: C[C@]12C[C@H]3[C@H]4[C@H]([C@@H]1CC[C@]2(COC)O)CCC5=CC(=O)CC[C@]45SC6=C3C=CC(=C6)N(C)C
InChI: InChI=1S/C28H37NO3S/c1-26-15-22-20-8-6-18(29(2)3)14-24(20)33-28-12-9-19(30)13-17(28)5-7-21(25(22)28)23(26)10-11-27(26,31)16-32-4/h6,8,13-14,21-23,25,31H,5,7,9-12,15-16H2,1-4H3/t21-,22+,23-,25+,26-,27+,28+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C21H25NO/c1-16-10-8-9-15-19(16)22-21(23)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19-20H,8-10,15H2,1H3,(H,22,23)/t16-,19+/m1/s1
SMILES: C[C@@H](C=C=C1[C@](C[C@H](CC1(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)(C)O)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C54H52O13/c1-35(62-48(56)37-22-12-6-13-23-37)30-31-43-53(2,3)32-41(33-54(43,4)60)63-52-46(67-51(59)40-28-18-9-19-29-40)45(66-50(58)39-26-16-8-17-27-39)44(65-49(57)38-24-14-7-15-25-38)42(64-52)34-61-47(55)36-20-10-5-11-21-36/h5-30,35,41-42,44-46,52,60H,32-34H2,1-4H3/t31?,35-,41-,42+,44+,45-,46+,52+,54+/m0/s1
SMILES: CC1(O[C@H]([C@H](O1)[C@@H](CCC2=CC=CC=C2)COCC3=CC=CC=C3)[C@@H](CCC4=CC=CC=C4)COCC5=CC=CC=C5)C
InChI: InChI=1S/C39H46O4/c1-39(2)42-37(35(25-23-31-15-7-3-8-16-31)29-40-27-33-19-11-5-12-20-33)38(43-39)36(26-24-32-17-9-4-10-18-32)30-41-28-34-21-13-6-14-22-34/h3-22,35-38H,23-30H2,1-2H3/t35-,36-,37-,38+/m0/s1
SMILES: CC(C)C1=C(C(=C2C(=C1C=O)[C@@H]([C@H]3[C@@]2(CCCC3(C)C)C)O)O)O
InChI: InChI=1S/C20H28O4/c1-10(2)12-11(9-21)13-14(17(24)15(12)22)20(5)8-6-7-19(3,4)18(20)16(13)23/h9-10,16,18,22-24H,6-8H2,1-5H3/t16-,18+,20+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2C[NH+](CC3)C)S(=O)(=O)C4=CC=C(C=C4)C#N
InChI: InChI=1S/C20H21N3O2S/c1-14-3-8-19-17(11-14)18-13-22(2)10-9-20(18)23(19)26(24,25)16-6-4-15(12-21)5-7-16/h3-8,11,18,20H,9-10,13H2,1-2H3/p+1/t18-,20+/m1/s1
SMILES: CCCCC(=O)C1=C([C@H]2[C@@H](CC1)[C@@H]3CC[C@]2(C(=C3)C(=O)O)C(=O)CCCC)C(=O)O
InChI: InChI=1S/C24H32O6/c1-3-5-7-18(25)16-10-9-15-14-11-12-24(17(13-14)22(27)28,19(26)8-6-4-2)21(15)20(16)23(29)30/h13-15,21H,3-12H2,1-2H3,(H,27,28)(H,29,30)/t14-,15+,21-,24+/m1/s1
SMILES: CC1=C(O[C@H]2[C@@H]1[C@@]3([C@@H](C2)[C@@H]4CC[C@@H]5C[C@@H](CC[C@@]5([C@@H]4CC3=O)C)OC(=O)C)C)CC[C@@H](C)COC(=O)C
InChI: InChI=1S/C31H46O6/c1-17(16-35-19(3)32)7-10-26-18(2)29-27(37-26)14-25-23-9-8-21-13-22(36-20(4)33)11-12-30(21,5)24(23)15-28(34)31(25,29)6/h17,21-25,27,29H,7-16H2,1-6H3/t17-,21-,22-,23-,24-,25+,27-,29-,30+,31-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5)OCC6=CC=CC=C6)O)C(=O)N(C4=O)CCCCCC(=O)O)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C40H40N2O8/c1-40-31(37(47)42(39(40)49)25-13-7-3-8-14-25)22-30-27(18-19-29-34(30)38(48)41(36(29)46)20-10-4-9-15-33(44)45)35(40)28-17-16-26(21-32(28)43)50-23-24-11-5-2-6-12-24/h2-3,5-8,11-14,16-18,21,29-31,34-35,43H,4,9-10,15,19-20,22-23H2,1H3,(H,44,45)/t29-,30+,31-,34-,35+,40+/m0/s1
SMILES: CC1C(=O)[C@H]2CCC[C@@H]3[C@H]2[C@]1(CN3CC4=CC=CC=C4)C=O
InChI: InChI=1S/C19H23NO2/c1-13-18(22)15-8-5-9-16-17(15)19(13,12-21)11-20(16)10-14-6-3-2-4-7-14/h2-4,6-7,12-13,15-17H,5,8-11H2,1H3/t13?,15-,16+,17-,19+/m0/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]([C@@]23CO[C@H]([C@@]1([C@@H]2C[C@H]([C@@]4([C@@H]3C(=O)[C@@H]([C@@]5([C@]46[C@H](O6)C[C@H]5C7=COC=C7)C)OC(=O)C)C)O)C)O)O
InChI: InChI=1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20+,21+,23-,24-,25+,26+,27+,28+,29+,30+/m0/s1
SMILES: COC[C@]12[C@H]([C@@H]([C@](O1)([C@@H](O2)CO)COCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C23H28O7/c1-26-16-23-20(25)21(28-14-18-10-6-3-7-11-18)22(30-23,19(12-24)29-23)15-27-13-17-8-4-2-5-9-17/h2-11,19-21,24-25H,12-16H2,1H3/t19-,20-,21-,22+,23+/m0/s1
SMILES: CSCC[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3CCCC3)[C@@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C21H25N3O3S/c1-28-11-10-15-16-17(19(26)24(18(16)25)12-6-2-3-7-12)21(23-15)13-8-4-5-9-14(13)22-20(21)27/h4-5,8-9,12,15-17,23H,2-3,6-7,10-11H2,1H3,(H,22,27)/t15-,16-,17+,21+/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)OC)\C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8+,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC(=CC=C4)O)Cl)C5=CC=C(C=C5)F)Cl)[C@@H]6[C@H]1C(=O)NC6=O
InChI: InChI=1S/C26H19Cl2FN2O5/c27-25-11-18-16(8-9-17-19(18)22(34)30-21(17)33)20(12-2-1-3-15(32)10-12)26(25,28)24(36)31(23(25)35)14-6-4-13(29)5-7-14/h1-8,10,17-20,32H,9,11H2,(H,30,33,34)/t17-,18+,19-,20-,25+,26-/m0/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)O)OC(=O)C
InChI: InChI=1S/C11H16O8/c1-5(12)17-8-4-16-11(19-7(3)14)9(15)10(8)18-6(2)13/h8-11,15H,4H2,1-3H3/t8-,9-,10+,11+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H]([C@]4([C@H]([C@@]3(C)O)C[C@@H](C4(C)C)O)O)O)C[C@@]2(C)O
InChI: InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20+,21+,22+/m1/s1
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C7=CC=CC=C67)O)C8=CC=CC=C8)C9=CC(=CC=C9)Cl)[N+](=O)[O-]
InChI: InChI=1S/C44H34ClN5O9/c1-46(2)39-34(49(56)57)20-26(21-35(39)50(58)59)47-40(52)31-16-15-30-32(37(31)42(47)54)22-33-41(53)48(25-12-8-11-24(45)19-25)43(55)44(33,23-9-4-3-5-10-23)38(30)29-17-18-36(51)28-14-7-6-13-27(28)29/h3-15,17-21,31-33,37-38,51H,16,22H2,1-2H3/t31-,32+,33-,37-,38-,44+/m0/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C23H32N4O3/c1-16-6-5-7-17(2)21(16)24-20(28)14-25-10-12-26(13-11-25)15-27-22(29)18-8-3-4-9-19(18)23(27)30/h5-7,18-19H,3-4,8-15H2,1-2H3,(H,24,28)/t18-,19-/m1/s1
SMILES: CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC2=CC(=CC=C2)Br
InChI: InChI=1S/C18H22BrNO3/c1-3-12(2)23-18(22)16-10-5-4-9-15(16)17(21)20-14-8-6-7-13(19)11-14/h4-8,11-12,15-16H,3,9-10H2,1-2H3,(H,20,21)/t12-,15+,16+/m1/s1
SMILES: CC[C@H]1C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
InChI: InChI=1S/C46H58N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,22-23,28-29,38-40,47,54H,8-9,15,17-21,24-26H2,1-7H3/t28-,29-,38-,39+,40+,43+,44+,45-,46-/m0/s1
SMILES: CC[NH+]1CCN(CC1)C(=O)[C@H]2CC(=C(C[C@@H]2C(=O)[O-])C)C
InChI: InChI=1S/C16H26N2O3/c1-4-17-5-7-18(8-6-17)15(19)13-9-11(2)12(3)10-14(13)16(20)21/h13-14H,4-10H2,1-3H3,(H,20,21)/t13-,14-/m0/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@H](O1)NC2=CC=C(C=C2)OC(F)(F)Cl)O)O)O
InChI: InChI=1S/C12H14ClF2NO5/c13-12(14,15)21-7-3-1-6(2-4-7)16-11-10(19)9(18)8(17)5-20-11/h1-4,8-11,16-19H,5H2/t8-,9-,10+,11+/m1/s1
SMILES: CCOC1=C(C=C(C=C1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)OC
InChI: InChI=1S/C20H26N2O5/c1-3-27-16-9-8-13(12-17(16)26-2)21-18(23)10-11-22-19(24)14-6-4-5-7-15(14)20(22)25/h8-9,12,14-15H,3-7,10-11H2,1-2H3,(H,21,23)/t14-,15+
SMILES: CC(CCC(=O)NCC(=O)O)[C@H]1CCC2[C@@]1(C(CC3[C@H]2C(C[C@H]4[C@@]3(CCC(C4)O)C)O)O)C
InChI: InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14?,15-,16?,17+,18?,19?,20?,21?,24-,25-,26+/m0/s1
SMILES: CC(C)(C)OC(=O)NC1=NC(=CS1)/C(=N/OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)N[C@H]5[C@@H]6N(C5=O)C(=C(CS6)/C=C/OS(=O)(=O)C(F)(F)F)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C52H44F3N5O10S3/c1-50(2,3)69-49(64)58-48-56-39(32-72-48)40(59-70-51(36-23-13-6-14-24-36,37-25-15-7-16-26-37)38-27-17-8-18-28-38)44(61)57-41-45(62)60-42(35(31-71-46(41)60)29-30-67-73(65,66)52(53,54)55)47(63)68-43(33-19-9-4-10-20-33)34-21-11-5-12-22-34/h4-30,32,41,43,46H,31H2,1-3H3,(H,57,61)(H,56,58,64)/b30-29+,59-40-/t41-,46-/m1/s1
SMILES: CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=NOC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65)CC[C@H]34
InChI: InChI=1S/C35H36N2O3/c1-3-34-18-16-27-26-15-13-25(21-22(26)12-14-28(27)30(34)17-19-35(34,39)4-2)37-40-33(38)29-10-7-9-24-20-23-8-5-6-11-31(23)36-32(24)29/h2,5-11,20-21,26-28,30,39H,3,12-19H2,1H3/t26-,27+,28+,30-,34-,35-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C=NC3=C(C2=O)N(N=C3C)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C18H20N4O5/c1-9-3-5-11(6-4-9)21-8-19-13-10(2)20-22(14(13)17(21)26)18-16(25)15(24)12(7-23)27-18/h3-6,8,12,15-16,18,23-25H,7H2,1-2H3/t12-,15-,16-,18-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChI: InChI=1S/C49H88O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h11,13,17-18,37-39,42-50,53-58H,3-10,12,14-16,19-36H2,1-2H3/b13-11-,18-17-/t37?,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CCC2[C@@]1(CCC3C2CC[C@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C37H64O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(39)40-34-23-22-32-31-21-20-29-28-30(38)24-26-36(29,2)33(31)25-27-37(32,34)3/h29,31-34H,4-28H2,1-3H3/t29-,31?,32?,33?,34+,36+,37+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C(=CC(=C5)Br)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-])C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C34H26BrClFN3O8/c1-34-23(31(43)39(33(34)45)18-7-10-25(37)24(36)13-18)14-21-19(28(34)22-11-15(35)12-26(48-2)29(22)41)8-9-20-27(21)32(44)38(30(20)42)16-3-5-17(6-4-16)40(46)47/h3-8,10-13,20-21,23,27-28,41H,9,14H2,1-2H3/t20-,21+,23-,27-,28+,34+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H25NO5/c27-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-31-23(28)14-15-26-24(29)20-8-4-5-9-21(20)25(26)30/h1-3,6-7,10-13,20-21H,4-5,8-9,14-16H2/t20-,21+
SMILES: CC(C)(C)[Si](C)(C)[C@@H]1[C@](O1)(CO[Si](C)(C)C(C)(C)C)C=C
InChI: InChI=1S/C17H36O2Si2/c1-12-17(13-18-21(10,11)16(5,6)7)14(19-17)20(8,9)15(2,3)4/h12,14H,1,13H2,2-11H3/t14-,17-/m1/s1