EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC=CC=C1O[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)COC(O3)(C)C)O)NC(=O)C
InChI: InChI=1S/C18H25NO6/c1-10-7-5-6-8-12(10)23-17-14(19-11(2)20)15(21)16-13(24-17)9-22-18(3,4)25-16/h5-8,13-17,21H,9H2,1-4H3,(H,19,20)/t13-,14-,15-,16-,17-/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)/C(=C\Br)/C(C4=CC=C(C=C4)[N+](=O)[O-])O)C
InChI: InChI=1S/C20H23BrN2O6S/c1-19(2)13-7-8-20(19)11-30(28,29)22(16(20)9-13)18(25)15(10-21)17(24)12-3-5-14(6-4-12)23(26)27/h3-6,10,13,16-17,24H,7-9,11H2,1-2H3/b15-10-/t13-,16-,17?,20-/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC(=C(C=C2)Br)Cl)C(=O)O
InChI: InChI=1S/C14H15BrClNO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)/t9-,10+/m1/s1
SMILES: CC[C@H](C)NC(=O)NC(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O
InChI: InChI=1S/C18H27N3O6/c1-3-11(2)19-18(26)20-14(22)10-27-15(23)8-9-21-16(24)12-6-4-5-7-13(12)17(21)25/h11-13H,3-10H2,1-2H3,(H2,19,20,22,26)/t11-,12-,13-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(S2)NC3=CC=CC=C3C
InChI: InChI=1S/C19H26N4OS2/c1-12-8-6-10-16(14(12)3)20-17(24)11-25-19-23-22-18(26-19)21-15-9-5-4-7-13(15)2/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3,(H,20,24)(H,21,22)/t12-,14+,16-/m0/s1
SMILES: CN1CC[C@]23[C@@H]4C5=C(C[C@]2([C@H]1CC6=C3C(=C(C=C6)OC)O4)N)C7=CC=CC=C7N5
InChI: InChI=1S/C24H25N3O2/c1-27-10-9-23-19-13-7-8-17(28-2)21(19)29-22(23)20-15(12-24(23,25)18(27)11-13)14-5-3-4-6-16(14)26-20/h3-8,18,22,26H,9-12,25H2,1-2H3/t18-,22+,23+,24-/m1/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H]([C@@H](CCO2)CO)C3=CC(=C(C=C3)F)F
InChI: InChI=1S/C22H20F8O3/c1-11(14-6-15(21(25,26)27)9-16(7-14)22(28,29)30)33-20-19(13(10-31)4-5-32-20)12-2-3-17(23)18(24)8-12/h2-3,6-9,11,13,19-20,31H,4-5,10H2,1H3/t11-,13+,19+,20-/m1/s1
SMILES: CC(=O)OC[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OC2=CC3=C(C=C2)OC=C(C3=O)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H30O13/c1-15(31)37-14-25-27(39-16(2)32)28(40-17(3)33)29(41-18(4)34)30(43-25)42-21-10-11-24-22(12-21)26(35)23(13-38-24)19-6-8-20(36-5)9-7-19/h6-13,25,27-30H,14H2,1-5H3/t25-,27-,28-,29-,30+/m0/s1
SMILES: CC1CC[NH+](CC1)CC2=C(C=CO2)CC[C@H]3C(=C)CC[C@@H]4[C@@]3(CCC[C@@]4(C)C(=O)OC)C
InChI: InChI=1S/C28H43NO3/c1-20-11-16-29(17-12-20)19-24-22(13-18-32-24)8-9-23-21(2)7-10-25-27(23,3)14-6-15-28(25,4)26(30)31-5/h13,18,20,23,25H,2,6-12,14-17,19H2,1,3-5H3/p+1/t23-,25+,27+,28+/m0/s1
SMILES: C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O
InChI: InChI=1S/C14H21N3O8/c15-4-8-10(20)11(21)13(25-8)23-5-6-3-7(18)12(24-6)17-2-1-9(19)16-14(17)22/h1-2,6-8,10-13,18,20-21H,3-5,15H2,(H,16,19,22)/t6-,7+,8+,10+,11+,12+,13+/m0/s1
SMILES: C[C@]12CC3=C(C=C1CCC[C@]2(CCC4=C(C=C(C=C4)F)F)O)N(N=C3)C5=CC=C(C=C5)F
InChI: InChI=1S/C26H25F3N2O/c1-25-15-18-16-30-31(22-8-6-20(27)7-9-22)24(18)13-19(25)3-2-11-26(25,32)12-10-17-4-5-21(28)14-23(17)29/h4-9,13-14,16,32H,2-3,10-12,15H2,1H3/t25-,26+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H]2C[C@H](N1C(=O)OC(C)(C)C)[C@H](C2)O
InChI: InChI=1S/C14H23NO5/c1-5-19-12(17)11-8-6-9(10(16)7-8)15(11)13(18)20-14(2,3)4/h8-11,16H,5-7H2,1-4H3/t8-,9+,10+,11+/m1/s1
SMILES: CC/C=C\1/[C@H]([C@@H](N2C(=NC=N2)N1)C3=CC=CC=C3O)C(=O)OCC
InChI: InChI=1S/C17H20N4O3/c1-3-7-12-14(16(23)24-4-2)15(11-8-5-6-9-13(11)22)21-17(20-12)18-10-19-21/h5-10,14-15,22H,3-4H2,1-2H3,(H,18,19,20)/b12-7-/t14-,15+/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@]4([C@@H]([C@H]3CC=C2C1)CC[C@]4(C#C)O)C)C
InChI: InChI=1S/C23H32O3/c1-5-23(25)13-10-20-18-7-6-16-14-17(26-15(2)24)8-11-21(16,3)19(18)9-12-22(20,23)4/h1,6,17-20,25H,7-14H2,2-4H3/t17-,18+,19-,20-,21+,22+,23+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1[C@H](C)C#N)/C=C(/[C@H]2[C@@H](CC[C@H](O2)/C=C/[C@H](C)[C@H]3[C@H](C[C@@H](O3)[C@H](C)OC)C)C)\C(=O)OC
InChI: InChI=1S/C32H51NO5/c1-19-10-9-11-25(29(19)23(5)18-33)17-27(32(34)36-8)31-21(3)13-15-26(37-31)14-12-20(2)30-22(4)16-28(38-30)24(6)35-7/h12,14,17,19-26,28-31H,9-11,13,15-16H2,1-8H3/b14-12+,27-17-/t19-,20+,21-,22+,23-,24+,25-,26-,28-,29-,30+,31-/m1/s1
SMILES: CC[C@@]1(CC[C@]2([C@H](C1)CC[C@@H]3[C@H]2CC[C@]4([C@@H]3CCC4=O)C)C)OC(=O)C
InChI: InChI=1S/C23H36O3/c1-5-23(26-15(2)24)13-12-21(3)16(14-23)6-7-17-18-8-9-20(25)22(18,4)11-10-19(17)21/h16-19H,5-14H2,1-4H3/t16-,17-,18+,19+,21-,22-,23-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)CCC(=O)O)CN4CCC5=CC(=C(C=C5C4)OC)OC
InChI: InChI=1S/C34H40N2O8/c1-21-30(19-36-14-13-24-16-28(41-2)29(42-3)17-26(24)18-36)43-34(44-33(21)23-9-7-22(20-37)8-10-23)25-5-4-6-27(15-25)35-31(38)11-12-32(39)40/h4-10,15-17,21,30,33-34,37H,11-14,18-20H2,1-3H3,(H,35,38)(H,39,40)/t21-,30+,33+,34+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)N(C1=O)C4=NC5=C(S4)C=C(C=C5)OC
InChI: InChI=1S/C25H32N4O5S/c1-14-20-17(29(21(14)30)23-26-16-9-8-15(33-5)13-19(16)35-23)10-12-28(20)22(31)18-7-6-11-27(18)24(32)34-25(2,3)4/h8-9,13-14,17-18,20H,6-7,10-12H2,1-5H3/t14-,17-,18-,20+/m0/s1
SMILES: C1=CC=C(C(=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)I
InChI: InChI=1S/C17H18IN5O4/c18-10-4-2-1-3-9(10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
SMILES: CCOC1=CC=CC=C1C(=O)O[C@H](C)C(=O)N[C@H]2CCC[C@@H]([C@@H]2C)C
InChI: InChI=1S/C20H29NO4/c1-5-24-18-12-7-6-10-16(18)20(23)25-15(4)19(22)21-17-11-8-9-13(2)14(17)3/h6-7,10,12-15,17H,5,8-9,11H2,1-4H3,(H,21,22)/t13-,14-,15+,17-/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3
InChI: InChI=1S/C20H27N3O5/c1-14-11-17(14)20(26)28-13-19(25)22(2)12-18(24)21-15-3-5-16(6-4-15)23-7-9-27-10-8-23/h3-6,14,17H,7-13H2,1-2H3,(H,21,24)/t14-,17-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@]2(C)O)CCC4=CC(=C(C=C34)COC)OC
InChI: InChI=1S/C22H32O3/c1-21-9-7-16-17(19(21)8-10-22(21,2)23)6-5-14-12-20(25-4)15(13-24-3)11-18(14)16/h11-12,16-17,19,23H,5-10,13H2,1-4H3/t16?,17?,19?,21-,22-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C23H17N3O5/c27-22-19-20(15-8-7-13-18(14-15)26(29)30)25(17-11-5-2-6-12-17)31-21(19)23(28)24(22)16-9-3-1-4-10-16/h1-14,19-21H/t19-,20-,21+/m0/s1
SMILES: CC(=O)NC1=C(C=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN3C(=O)C4=CC=CC=C4C3=O)O[C@@H]5[C@@H]([C@H]([C@H]6[C@H](O5)COC(O6)C7=CC=CC=C7)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Cl
InChI: InChI=1S/C44H45ClN2O17/c1-21(48)46-31-17-26(15-16-30(31)45)19-55-43-38(59-24(4)51)36(57-22(2)49)34(32(61-43)18-47-40(53)28-13-9-10-14-29(28)41(47)54)64-44-39(60-25(5)52)37(58-23(3)50)35-33(62-44)20-56-42(63-35)27-11-7-6-8-12-27/h6-17,32-39,42-44H,18-20H2,1-5H3,(H,46,48)/t32-,33-,34-,35-,36+,37+,38-,39-,42?,43-,44-/m1/s1
SMILES: CN([C@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C20H28N2O3/c1-21(16-6-2-3-7-17(16)22-10-4-5-11-22)20(23)13-15-8-9-18-19(12-15)25-14-24-18/h8-9,12,16-17H,2-7,10-11,13-14H2,1H3/t16-,17+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4/C=C/C#N)C)O
InChI: InChI=1S/C22H33NO/c1-21-12-10-20-18(19(21)8-6-15(21)4-3-13-23)7-5-16-14-17(24)9-11-22(16,20)2/h3-4,15-20,24H,5-12,14H2,1-2H3/b4-3+/t15-,16-,17-,18-,19-,20-,21+,22-/m0/s1
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)C[C@]4([C@@H](C(=C(C(=C4F)F)F)F)F)OC(=O)O
InChI: InChI=1S/C21H13F5O3/c22-15-16(23)18(25)21(29-20(27)28,19(26)17(15)24)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14,18H,9H2,(H,27,28)/t18-,21-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)C#N)O
InChI: InChI=1S/C11H13N3O5/c1-5-3-14(11(18)13-9(5)17)10-8(16)6(2-12)7(4-15)19-10/h3,6-8,10,15-16H,4H2,1H3,(H,13,17,18)/t6-,7-,8+,10-/m1/s1
SMILES: CCCCO[C@H]1C[C@]2(C(=N[C@@]1(C(=O)O2)SC3=CC=CC=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C22H22ClNO3S/c1-2-3-14-26-18-15-21(16-10-6-4-7-11-16)19(23)24-22(18,20(25)27-21)28-17-12-8-5-9-13-17/h4-13,18H,2-3,14-15H2,1H3/t18-,21+,22+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@H]([C@]1(C)CCI)C(=O)[13CH3]
InChI: InChI=1S/C18H33IO/c1-13(2)7-6-8-14(3)16-9-10-17(15(4)20)18(16,5)11-12-19/h13-14,16-17H,6-12H2,1-5H3/t14-,16-,17+,18-/m1/s1/i4+1
SMILES: C[C@]1\2CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC/C2=C\C4=CC(=CC=C4)C(C)(C)O
InChI: InChI=1S/C29H38O3/c1-19-22(17-25(30)18-27(19)31)11-10-21-8-6-14-29(4)24(12-13-26(21)29)16-20-7-5-9-23(15-20)28(2,3)32/h5,7,9-11,15-16,25-27,30-32H,1,6,8,12-14,17-18H2,2-4H3/b21-10+,22-11-,24-16+/t25-,26+,27+,29-/m1/s1
SMILES: CCSC1([C@@]2(C(=C([NH2+][C@@H]([C@@]2(C(=[NH+]1)N)C#N)C3=CC=CC=C3)C)C)C#N)SCC
InChI: InChI=1S/C21H25N5S2/c1-5-27-21(28-6-2)20(13-23)14(3)15(4)25-17(16-10-8-7-9-11-16)19(20,12-22)18(24)26-21/h7-11,17,25H,5-6H2,1-4H3,(H2,24,26)/p+2/t17-,19-,20-/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1C(=CC23[C@@]1([C@@H](C(=CC(C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)OC(=O)C)O)C
InChI: InChI=1S/C27H36O7/c1-8-13(2)24(31)34-22-14(3)11-26-15(4)9-19-20(25(19,6)7)18(21(26)30)10-17(12-28)23(27(22,26)32)33-16(5)29/h8,10-11,15,18-20,22-23,28,32H,9,12H2,1-7H3/b13-8-/t15-,18?,19-,20+,22+,23-,26?,27-/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)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=C(C=CC=C6OC)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl
InChI: InChI=1S/C41H33ClN2O7/c1-22(45)23-14-16-26(17-15-23)43-37(47)29-19-18-28-30(34(29)39(43)49)21-31-38(48)44(27-11-6-10-25(42)20-27)40(50)41(31,24-8-4-3-5-9-24)36(28)35-32(46)12-7-13-33(35)51-2/h3-18,20,29-31,34,36,46H,19,21H2,1-2H3/t29-,30+,31-,34-,36+,41+/m0/s1
SMILES: CCC[C@H](CC(=C)C[C@@H](C)C1(SCCCS1)[C@@H](C[C@H]2C[C@@H]([C@@H](O2)CCCC[C@H](C)COCC3=CC=CC=C3)C)OC(=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C43H74O5S2Si/c1-12-19-38(48-51(10,11)42(7,8)9)27-33(3)26-35(5)43(49-24-18-25-50-43)41(46-36(6)44)29-39-28-34(4)40(47-39)23-17-16-20-32(2)30-45-31-37-21-14-13-15-22-37/h13-15,21-22,32,34-35,38-41H,3,12,16-20,23-31H2,1-2,4-11H3/t32-,34-,35+,38+,39+,40-,41+/m0/s1
SMILES: C=CCO[C@@H]1C[C@@H]([C@H]2/C=C\C[C@@H]([C@H](CC[C@@H]1O2)O)O)OCC=C
InChI: InChI=1S/C18H28O5/c1-3-10-21-17-12-18(22-11-4-2)16-9-8-14(20)13(19)6-5-7-15(17)23-16/h3-5,7,13-20H,1-2,6,8-12H2/b7-5-/t13-,14-,15+,16-,17-,18+/m0/s1
SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3
InChI: InChI=1S/C19H19ClN2O3/c1-12-9-14(20)7-8-17(12)25-11-18(23)21-22-19(24)16-10-15(16)13-5-3-2-4-6-13/h2-9,15-16H,10-11H2,1H3,(H,21,23)(H,22,24)/t15-,16+/m1/s1
SMILES: CCOC1([C@@]2([C@H]([C@@]2(C(=N1)N)C#N)C3=C(C=CC=C3Cl)F)C#N)OCC
InChI: InChI=1S/C17H16ClFN4O2/c1-3-24-17(25-4-2)16(9-21)13(15(16,8-20)14(22)23-17)12-10(18)6-5-7-11(12)19/h5-7,13H,3-4H2,1-2H3,(H2,22,23)/t13-,15+,16+/m0/s1
SMILES: CC(C)C1=C(C2=C(C[C@@]34CCC[C@@]([C@@H]3C=C2)(C(=O)O4)C)C(=O)C1=O)O
InChI: InChI=1S/C20H22O5/c1-10(2)14-15(21)11-5-6-13-19(3)7-4-8-20(13,25-18(19)24)9-12(11)16(22)17(14)23/h5-6,10,13,21H,4,7-9H2,1-3H3/t13-,19-,20-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O
InChI: InChI=1S/C31H25NO8/c1-14-10-24(34)27-22(28(14)35)13-20-18(25(27)21-12-17(40-2)6-9-23(21)33)7-8-19-26(20)30(37)32(29(19)36)16-5-3-4-15(11-16)31(38)39/h3-7,9-12,19-20,25-26,33H,8,13H2,1-2H3,(H,38,39)/t19-,20+,25+,26-/m0/s1
SMILES: CCOC(=O)[C@@]1([C@@H]([C@H]2CO[C@@H](N2C1=O)C3=CC=CC=C3)CC(=O)OC(C)(C)C)C4=CC(=CC=C4)OC
InChI: InChI=1S/C28H33NO7/c1-6-34-26(32)28(19-13-10-14-20(15-19)33-5)21(16-23(30)36-27(2,3)4)22-17-35-24(29(22)25(28)31)18-11-8-7-9-12-18/h7-15,21-22,24H,6,16-17H2,1-5H3/t21-,22-,24-,28-/m1/s1
SMILES: C[C@@H]1[C@@]2([C@]1(C2)S(=O)(=O)C3=CC=CC=C3)CC=C(C)C
InChI: InChI=1S/C16H20O2S/c1-12(2)9-10-15-11-16(15,13(15)3)19(17,18)14-7-5-4-6-8-14/h4-9,13H,10-11H2,1-3H3/t13-,15-,16-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@H]([C@@H](C=C(O1)CCCCO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C43H92O5Si4/c1-30(2)50(31(3)4,32(5)6)45-29-41-42(48-52(36(13)14,37(15)16)38(17)18)40(47-51(33(7)8,34(9)10)35(11)12)28-39(46-41)26-24-25-27-44-49(22,23)43(19,20)21/h28,30-38,40-42H,24-27,29H2,1-23H3/t40-,41-,42+/m1/s1
SMILES: CC(=C)[C@H]1CC[C@]23[C@H](O2)[C@@H](C[C@]4(CC(=O)[C@@H](O4)CC(=O)C1)C)OC(=O)[C@@]56CC[C@@H](CC(=O)C[C@H]7C(=O)C[C@@](O7)(C[C@H]([C@@H]5O6)OC3=O)C)C(=C)C
InChI: InChI=1S/C38H48O12/c1-19(2)21-7-9-37-31(49-37)29(17-35(5)15-25(41)27(47-35)13-23(39)11-21)46-34(44)38-10-8-22(20(3)4)12-24(40)14-28-26(42)16-36(6,48-28)18-30(32(38)50-38)45-33(37)43/h21-22,27-32H,1,3,7-18H2,2,4-6H3/t21-,22-,27-,28-,29+,30+,31-,32+,35+,36+,37+,38+/m0/s1
SMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)CCCCCCC
InChI: InChI=1S/C61H81NO8/c1-3-5-7-9-11-16-26-49-36-38-50(39-37-49)40-41-61(47-63,62-56(64)35-25-10-8-6-4-2)48-69-60-59(68-45-54-33-23-15-24-34-54)58(67-44-53-31-21-14-22-32-53)57(66-43-52-29-19-13-20-30-52)55(70-60)46-65-42-51-27-17-12-18-28-51/h12-15,17-24,27-34,36-39,55,57-60,63H,3-11,16,25-26,35,40-48H2,1-2H3,(H,62,64)/t55-,57+,58+,59-,60+,61?/m1/s1
SMILES: [3H]C1=CC(=C(C2=C1N=CC=C2)OC[C@@H](CN3CCN(CC3)C4C5=CC=CC=C5[C@H]6[C@H](C6(F)F)C7=CC=CC=C47)O)[3H]
InChI: InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31?/m1/s1/i12T,13T
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(=C(C=C6)F)Cl)C)C(=O)N(C4=O)C7=CC=C(C=C7)C=CC8=C(C=CC(=C8)OC)OC
InChI: InChI=1S/C45H40ClFN2O8/c1-5-57-37-8-6-7-31(40(37)50)39-29-17-18-30-38(32(29)23-33-42(52)49(44(54)45(33,39)2)27-15-19-35(47)34(46)22-27)43(53)48(41(30)51)26-13-10-24(11-14-26)9-12-25-21-28(55-3)16-20-36(25)56-4/h6-17,19-22,30,32-33,38-39,50H,5,18,23H2,1-4H3/t30-,32+,33-,38-,39+,45+/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)CCCC(=O)O)CN4CCC[C@H]4COC
InChI: InChI=1S/C30H40N2O7/c1-20-26(17-32-16-4-5-25(32)19-37-2)38-30(39-29(20)22-10-8-21(18-33)9-11-22)23-12-14-24(15-13-23)31-27(34)6-3-7-28(35)36/h8-15,20,25-26,29-30,33H,3-7,16-19H2,1-2H3,(H,31,34)(H,35,36)/t20-,25-,26+,29+,30+/m0/s1
SMILES: C[C@@H]1CCC[C@@]2(C1=C[C@H]3[C@H](C2)OC(=O)[C@H]3CN4CCN(CC4)C5=C(C=C(C=C5)C)C)C
InChI: InChI=1S/C27H38N2O2/c1-18-7-8-24(20(3)14-18)29-12-10-28(11-13-29)17-22-21-15-23-19(2)6-5-9-27(23,4)16-25(21)31-26(22)30/h7-8,14-15,19,21-22,25H,5-6,9-13,16-17H2,1-4H3/t19-,21-,22+,25+,27+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H]([C@H](C(=O)C=C1O)C(=O)OCC)C2=CC=C(C=C2)OC
InChI: InChI=1S/C19H22O7/c1-4-25-18(22)16-13(20)10-14(21)17(19(23)26-5-2)15(16)11-6-8-12(24-3)9-7-11/h6-10,15-17,20H,4-5H2,1-3H3/t15-,16-,17+/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC8=CC=C(C=C8)C9=CC=CC=C9)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C67H82N2O10/c1-3-5-6-7-8-9-10-11-12-23-41-73-66(72)69(46-50-30-36-61-62(42-50)75-48-74-61)63-45-59(68-77-47-49-24-15-13-16-25-49)57-43-53(28-19-21-38-70)56(29-20-22-39-71)64-58-44-55(35-37-60(58)79-67(63,65(57)64)76-40-4-2)78-54-33-31-52(32-34-54)51-26-17-14-18-27-51/h4,13-18,24-27,30-37,42-44,53,56,63-65,70-71H,2-3,5-12,19-23,28-29,38-41,45-48H2,1H3/t53-,56+,63-,64+,65+,67+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)S[C@@H]2C=C[C@H]3[C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)O)CCN4C)C(=O)OC)OC(=O)C
InChI: InChI=1S/C30H35NO11S/c1-13(32)38-23-24(39-14(2)33)26(40-15(3)34)29(42-25(23)28(36)37-5)43-20-9-7-17-18-12-16-6-8-19(35)22-21(16)30(17,27(20)41-22)10-11-31(18)4/h6-9,17-18,20,23-27,29,35H,10-12H2,1-5H3/t17-,18+,20+,23-,24-,25-,26+,27-,29-,30-/m0/s1
SMILES: CCN1C(=O)C2=C(N=C1SCC(=O)N[C@H]3CCCC[C@H]3C)SC4=C2CCC4
InChI: InChI=1S/C20H27N3O2S2/c1-3-23-19(25)17-13-8-6-10-15(13)27-18(17)22-20(23)26-11-16(24)21-14-9-5-4-7-12(14)2/h12,14H,3-11H2,1-2H3,(H,21,24)/t12-,14+/m1/s1
SMILES: COC1=C(C=CC(=C1)C[C@H]2[C@@H](COC2=O)CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O
InChI: InChI=1S/C26H32O11/c1-33-19-9-14(3-5-17(19)28)8-16-15(12-35-25(16)32)7-13-4-6-18(20(10-13)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21-,22-,23+,24-,26-/m1/s1
SMILES: C[C@]12CC/C(=C/3\C[C@@]4([C@H]5CC[C@]6([C@H]([C@@H]5CCC4=CC3=O)CC[C@]6(C)O)C)C)/C=C1CC[C@@H]7[C@@H]2CC[C@]8([C@H]7CC[C@]8(C)O)C
InChI: InChI=1S/C40H58O3/c1-35-16-11-24(21-25(35)7-9-27-30(35)12-17-37(3)32(27)14-19-39(37,5)42)29-23-36(2)26(22-34(29)41)8-10-28-31(36)13-18-38(4)33(28)15-20-40(38,6)43/h21-22,27-28,30-33,42-43H,7-20,23H2,1-6H3/b29-24-/t27-,28-,30+,31+,32+,33+,35+,36+,37+,38+,39+,40+/m1/s1
SMILES: C[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)NCCC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C14H21NO4/c1-9-11(16)12(17)13(18)14(19-9)15-8-7-10-5-3-2-4-6-10/h2-6,9,11-18H,7-8H2,1H3/t9-,11-,12-,13-,14+/m0/s1
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C12H16N4O5/c1-14-10-9(11(19)15(2)12(14)20)16(5-13-10)8-3-6(18)7(4-17)21-8/h5-8,17-18H,3-4H2,1-2H3/t6-,7+,8+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=CN=CN=C43)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI: InChI=1S/C24H41N5O6SSi2/c1-22(2,3)37(7,8)32-12-18-24(17(25)13-36(30,31)35-24)19(34-38(9,10)23(4,5)6)21(33-18)29-15-28-16-11-26-14-27-20(16)29/h11,13-15,18-19,21H,12,25H2,1-10H3/t18-,19+,21-,24?/m1/s1
SMILES: CC(=O)OCCCC1=CC(=C(C=C1)OC(CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=C(C=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC
InChI: InChI=1S/C38H46O18/c1-21(39)47-16-8-9-27-10-15-31(32(17-27)46-7)55-30(18-48-22(2)40)19-50-38-36(54-26(6)44)35(53-25(5)43)34(52-24(4)42)33(56-38)20-49-37(45)28-11-13-29(14-12-28)51-23(3)41/h10-15,17,30,33-36,38H,8-9,16,18-20H2,1-7H3/t30?,33-,34-,35+,36-,38-/m1/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC2=CC=CC(=C2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C24H24O9/c1-14(25)30-20-13-29-24(23(32-16(3)27)22(20)31-15(2)26)33-19-11-7-10-18(12-19)21(28)17-8-5-4-6-9-17/h4-12,20,22-24H,13H2,1-3H3/t20-,22+,23-,24+/m1/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2CC(=O)NC4=CN=C(C=C4)C#N)CC(=C5[C@@]3(CCC(=O)N5C)C)Cl
InChI: InChI=1S/C27H33ClN4O2/c1-26-10-8-21-19(13-22(28)25-27(21,2)11-9-24(34)32(25)3)20(26)7-4-16(26)12-23(33)31-18-6-5-17(14-29)30-15-18/h5-6,15-16,19-21H,4,7-13H2,1-3H3,(H,31,33)/t16-,19?,20+,21?,26-,27-/m1/s1
SMILES: CC1=CO[C@@H]([C@H]([C@@H]1OC(=O)COCC2=CC=C(C=C2)OC)OC(=O)COCC3=CC=C(C=C3)OC)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C43H50O10Si/c1-31-25-50-38(28-51-54(43(2,3)4,36-13-9-7-10-14-36)37-15-11-8-12-16-37)42(53-40(45)30-49-27-33-19-23-35(47-6)24-20-33)41(31)52-39(44)29-48-26-32-17-21-34(46-5)22-18-32/h7-25,38,41-42H,26-30H2,1-6H3/t38-,41-,42-/m1/s1
SMILES: C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI: InChI=1S/C21H19ClN2O8/c22-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)24-19(18(28)23-12)32-21-16(27)14(25)15(26)17(31-21)20(29)30/h1-8,14-17,19,21,25-27H,(H,23,28)(H,29,30)/t14-,15-,16+,17-,19?,21?/m0/s1
SMILES: C[C@]12CCC(=O)NC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C#N)O)C
InChI: InChI=1S/C19H26N2O2/c1-17-8-7-16(22)21-15(17)4-3-12-13(17)5-9-18(2)14(12)6-10-19(18,23)11-20/h4,12-14,23H,3,5-10H2,1-2H3,(H,21,22)/t12-,13+,14+,17-,18+,19+/m1/s1
SMILES: COC1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H](C[N+]2(CC3=CC=CC=C3)CC4=CC=CC=C4)OCC5=CC=CC=C5)O.[Cl-]
InChI: InChI=1S/C33H36NO3.ClH/c1-36-30-19-17-26(18-20-30)21-31-33(35)32(37-25-29-15-9-4-10-16-29)24-34(31,22-27-11-5-2-6-12-27)23-28-13-7-3-8-14-28;/h2-20,31-33,35H,21-25H2,1H3;1H/q+1;/p-1/t31-,32+,33+;/m1./s1
SMILES: COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)C[C@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C21H28N2O3/c1-25-19-5-3-4-18(20(19)26-2)21(24)23-10-8-22(9-11-23)14-17-13-15-6-7-16(17)12-15/h3-7,15-17H,8-14H2,1-2H3/p+1/t15-,16+,17-/m1/s1
SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C5=CC(=O)OC5)O)C)O
InChI: InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16-,17+,18+,19-,21+,22-,23+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2C[C@@H]3[C@H](C2)C3(C4=CC=CC=C4)C5=CC=CC=N5
InChI: InChI=1S/C24H23NO3S/c1-17-10-12-20(13-11-17)29(26,27)28-19-15-21-22(16-19)24(21,18-7-3-2-4-8-18)23-9-5-6-14-25-23/h2-14,19,21-22H,15-16H2,1H3/t19?,21-,22+,24?
SMILES: C[C@]12C[C@H](CC([C@@H]1C(=O)CC(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)(C)C)Cl
InChI: InChI=1S/C20H28ClNO4/c1-10-5-15(24)17-19(2,3)8-11(21)9-20(17,4)13(10)7-14(23)12-6-16(25)22-18(12)26/h11-14,17,23H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,17-,20+/m0/s1
SMILES: C1C[C@@H]2[C@@H](N[C@H]([C@H](C1)C2=O)C3=CC4=C(C=C3)OCO4)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C22H21NO5/c24-22-14-2-1-3-15(22)21(13-5-7-17-19(9-13)28-11-26-17)23-20(14)12-4-6-16-18(8-12)27-10-25-16/h4-9,14-15,20-21,23H,1-3,10-11H2/t14-,15+,20-,21-/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)C4=CC=CC=C4CNC(=O)C5=CC=CC=C5)CN(CC6=CC=CC=C6)CC7=CC=CC=C7
InChI: InChI=1S/C47H46N2O4/c1-34-44(32-49(30-35-13-5-2-6-14-35)31-36-15-7-3-8-16-36)52-47(53-45(34)39-23-21-37(33-50)22-24-39)41-27-25-38(26-28-41)43-20-12-11-19-42(43)29-48-46(51)40-17-9-4-10-18-40/h2-28,34,44-45,47,50H,29-33H2,1H3,(H,48,51)/t34-,44+,45+,47+/m1/s1
SMILES: C=CC[C@@H]1[C@@H]([C@H]([C@@H]([C@H](N1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C52H51NO6/c1-2-19-47-49(56-33-39-22-9-4-10-23-39)51(58-35-41-26-13-6-14-27-41)50(57-34-40-24-11-5-12-25-40)48(37-55-32-38-20-7-3-8-21-38)53(47)52(54)59-36-46-44-30-17-15-28-42(44)43-29-16-18-31-45(43)46/h2-18,20-31,46-51H,1,19,32-37H2/t47-,48-,49+,50-,51-/m1/s1
SMILES: C[C@H](C/C=C/C(C)(C)O)[C@@H]1CC[C@]2([C@]1(CC=C3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI: InChI=1S/C30H48O2/c1-20(10-9-16-26(2,3)32)21-13-18-30(8)23-11-12-24-27(4,5)25(31)15-17-28(24,6)22(23)14-19-29(21,30)7/h9,11,14,16,20-21,24-25,31-32H,10,12-13,15,17-19H2,1-8H3/b16-9+/t20-,21+,24?,25+,28-,29+,30-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](O2)C(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C22H17NO5/c24-20(22-21(28-22)16-6-2-1-3-7-16)18-8-4-5-9-19(18)27-14-15-10-12-17(13-11-15)23(25)26/h1-13,21-22H,14H2/t21-,22-/m0/s1
SMILES: C[C@H]1C=C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H]([C@H]([C@@H](CC=CC=CC=CC=CC=CC(=O)O[C@H]1C(C)C)O)C)O)O)O)O)O)O)O
InChI: InChI=1S/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3/t25-,26-,27+,28+,29+,30+,31+,32+,33+,34-,36-/m0/s1
SMILES: CC1([C@H]([C@H](C2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC)O)O)C
InChI: InChI=1S/C23H24O9/c1-22(2)21(26)18(24)17-12(32-22)6-5-10-19(17)31-16-9-30-13-8-15(29-4)14(28-3)7-11(13)23(16,27)20(10)25/h5-8,16,18,21,24,26-27H,9H2,1-4H3/t16-,18+,21+,23-/m1/s1
SMILES: CC[C@@]1([C@@](N(C(=O)O1)CCC2=CC(=C(C=C2)OC)OC)(C)O)C
InChI: InChI=1S/C17H25NO5/c1-6-16(2)17(3,20)18(15(19)23-16)10-9-12-7-8-13(21-4)14(11-12)22-5/h7-8,11,20H,6,9-10H2,1-5H3/t16-,17-/m1/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@H]2C(=O)NC3=NC(=CS3)C4=CC=CC=C4)C(=O)[O-]
InChI: InChI=1S/C18H16N2O3S/c21-16(14-11-6-7-12(8-11)15(14)17(22)23)20-18-19-13(9-24-18)10-4-2-1-3-5-10/h1-7,9,11-12,14-15H,8H2,(H,22,23)(H,19,20,21)/p-1/t11-,12+,14+,15+/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N(C=O)[C@H](CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3CO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C49H74N2O12Si/c1-45(2,3)41(54)58-29-35-36(61-42(55)46(4,5)6)37(62-43(56)47(7,8)9)38(63-44(57)48(10,11)12)40(60-35)51(30-52)34(27-31-23-19-18-20-24-31)39(53)50-33-26-22-21-25-32(33)28-59-64(16,17)49(13,14)15/h18-26,30,34-38,40H,27-29H2,1-17H3,(H,50,53)/t34-,35-,36+,37+,38-,40-/m1/s1
SMILES: C[C@@H]1C=C([C@H]2[C@H]([C@@H]1CO[C@@H]2C3=CC4=C(C=C3)OCO4)C)C
InChI: InChI=1S/C18H22O3/c1-10-6-11(2)17-12(3)14(10)8-19-18(17)13-4-5-15-16(7-13)21-9-20-15/h4-7,10,12,14,17-18H,8-9H2,1-3H3/t10-,12+,14-,17+,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NCC4=NC5=C(N4)C=CC=N5)CCC6[C@@]3(C=CC7=NC=CN67)C
InChI: InChI=1S/C28H34N6O/c1-27-11-9-19-17(5-8-22-28(19,2)12-10-24-29-14-15-34(22)24)18(27)6-7-20(27)26(35)31-16-23-32-21-4-3-13-30-25(21)33-23/h3-4,10,12-15,17-20,22H,5-9,11,16H2,1-2H3,(H,31,35)(H,30,32,33)/t17-,18-,19-,20+,22?,27-,28+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](OC([C@@H]2O1)(C3=NC=CN3S(=O)(=O)N(C)C)O)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)C
InChI: InChI=1S/C29H39N3O7SSi/c1-27(2,3)41(21-14-10-8-11-15-21,22-16-12-9-13-17-22)36-20-23-24-25(39-28(4,5)38-24)29(33,37-23)26-30-18-19-32(26)40(34,35)31(6)7/h8-19,23-25,33H,20H2,1-7H3/t23-,24-,25-,29?/m1/s1