EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCN(CCC)C1=CC=CC=C1C2=C3C[C@H]4C[C@H]5[C@@H](C(=O)C(C(=O)[C@]5(C(=O)C4=C(C3=C(C=C2)O)O)O)C(=O)N)N(C)C
InChI: InChI=1S/C33H39N3O7/c1-5-13-36(14-6-2)22-10-8-7-9-19(22)18-11-12-23(37)25-20(18)15-17-16-21-27(35(3)4)29(39)26(32(34)42)31(41)33(21,43)30(40)24(17)28(25)38/h7-12,17,21,26-27,37-38,43H,5-6,13-16H2,1-4H3,(H2,34,42)/t17-,21-,26?,27-,33-/m0/s1
SMILES: CC1=CN(C(=NC1=O)OC2CCN3C2=C(C=C3)CO)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI: InChI=1S/C18H23N3O6/c1-10-7-21(15-6-12(24)14(9-23)26-15)18(19-17(10)25)27-13-3-5-20-4-2-11(8-22)16(13)20/h2,4,7,12-15,22-24H,3,5-6,8-9H2,1H3/t12-,13?,14+,15+/m0/s1
SMILES: CC(C)(C)C1=C(C(=CC(=C1)[C@H]2[C@H]3[C@H]([C@@H](OC3=O)C4=CC(=C(C(=C4)OC)O)C(C)(C)C)C(=O)O2)OC)O
InChI: InChI=1S/C28H34O8/c1-27(2,3)15-9-13(11-17(33-7)21(15)29)23-19-20(26(32)35-23)24(36-25(19)31)14-10-16(28(4,5)6)22(30)18(12-14)34-8/h9-12,19-20,23-24,29-30H,1-8H3/t19-,20-,23+,24+/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C3([C@H]4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=CC(=CC=C7)OC
InChI: InChI=1S/C35H27NO5/c1-40-24-17-14-22(15-18-24)32(37)31-30(23-9-7-10-25(20-23)41-2)35(33(38)26-11-4-5-12-27(26)34(35)39)29-19-16-21-8-3-6-13-28(21)36(29)31/h3-20,29-31H,1-2H3/t29-,30+,31-/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O1)O)O[C@@H]3[C@H]4CO[C@H](O4)[C@@H]5[C@H]3O5)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C
InChI: InChI=1S/C34H36O9/c1-33(2)42-27-24(38-31(25(35)28(27)43-33)41-26-23-18-36-32(39-23)30-29(26)40-30)19-37-34(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23-32,35H,18-19H2,1-2H3/t23-,24-,25-,26-,27+,28-,29+,30+,31+,32-/m1/s1
SMILES: CCOC(=O)C1(C[C@@H]([C@@]2(C1)O[C@@H]3C[C@@H](CC[C@H]3C(O2)(C)C)C)C)C(=O)OCC
InChI: InChI=1S/C22H36O6/c1-7-25-18(23)21(19(24)26-8-2)12-15(4)22(13-21)27-17-11-14(3)9-10-16(17)20(5,6)28-22/h14-17H,7-13H2,1-6H3/t14-,15+,16-,17-,22+/m1/s1
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2CCC[C@H]3[C@H]2CCCC3)OCC#N
InChI: InChI=1S/C23H28N2O5/c1-28-21-15-17(8-10-20(21)29-14-12-24)9-11-23(27)30-16-22(26)25-13-4-6-18-5-2-3-7-19(18)25/h8-11,15,18-19H,2-7,13-14,16H2,1H3/b11-9+/t18-,19+/m0/s1
SMILES: C1C([C@H]([C@@H]([C@]1(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O
InChI: InChI=1S/C34H36O5/c35-31-21-34(39-25-30-19-11-4-12-20-30,26-36-22-27-13-5-1-6-14-27)33(38-24-29-17-9-3-10-18-29)32(31)37-23-28-15-7-2-8-16-28/h1-20,31-33,35H,21-26H2/t31?,32-,33+,34+/m1/s1
SMILES: C=CC[C@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1C4=CC(=CC=C4)Cl)C(=O)[O-]
InChI: InChI=1S/C18H16ClNO4/c1-2-4-13-18-8-7-12(24-18)14(17(22)23)15(18)16(21)20(13)11-6-3-5-10(19)9-11/h2-3,5-9,12-15H,1,4H2,(H,22,23)/p-1/t12-,13+,14+,15-,18-/m1/s1
SMILES: CCCCCCCCCCCCS[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)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C30H56O15S/c1-2-3-4-5-6-7-8-9-10-11-12-46-30-25(40)22(37)27(18(15-33)43-30)45-29-24(39)21(36)26(17(14-32)42-29)44-28-23(38)20(35)19(34)16(13-31)41-28/h16-40H,2-15H2,1H3/t16-,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H](C1CCCCCCC(=O)OC)O)O)O
InChI: InChI=1S/C21H38O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h13-14,16-20,22-24H,3-12,15H2,1-2H3/b14-13+/t16-,17?,18+,19-,20+/m0/s1
SMILES: C[C@@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H]([C@@H]6OC(=O)C)O)C)C)C)OC1
InChI: InChI=1S/C29H44O5/c1-16-8-13-29(32-15-16)17(2)25-24(34-29)14-22-19-6-7-21-26(33-18(3)30)23(31)10-12-27(21,4)20(19)9-11-28(22,25)5/h7,16-17,19-20,22-26,31H,6,8-15H2,1-5H3/t16-,17+,19-,20+,22+,23+,24+,25+,26-,27-,28+,29+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=CC=C6F
InChI: InChI=1S/C28H24FNO8/c1-34-21-7-13(8-22(35-2)26(21)31)23-15-9-19-20(38-12-37-19)10-16(15)25(17-11-36-28(33)24(17)23)30-27(32)14-5-3-4-6-18(14)29/h3-10,17,23-25,31H,11-12H2,1-2H3,(H,30,32)/t17-,23+,24-,25+/m0/s1
SMILES: C1[C@@H]2C[C@H]([C@H]1C=C2)CN(CC3=CN=CC=C3)C(=O)CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C23H24N2O3/c26-23(11-17-4-6-21-22(10-17)28-15-27-21)25(13-18-2-1-7-24-12-18)14-20-9-16-3-5-19(20)8-16/h1-7,10,12,16,19-20H,8-9,11,13-15H2/t16-,19+,20+/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)OC3=CC4=CC=CC=C4C=C3)C(=O)[O-]
InChI: InChI=1S/C24H23NO4/c26-23(21-7-3-4-8-22(21)24(27)28)25-18-10-13-19(14-11-18)29-20-12-9-16-5-1-2-6-17(16)15-20/h1-2,5-6,9-15,21-22H,3-4,7-8H2,(H,25,26)(H,27,28)/p-1/t21-,22-/m0/s1
SMILES: COC1=C(C=C(C=C1)F)S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(=O)(=O)C3=C(C=CC(=C3)F)OC
InChI: InChI=1S/C20H24F2N2O6S2/c1-29-17-9-7-13(21)11-19(17)31(25,26)23-15-5-3-4-6-16(15)24-32(27,28)20-12-14(22)8-10-18(20)30-2/h7-12,15-16,23-24H,3-6H2,1-2H3/t15-,16+
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CBr)OC=O)C
InChI: InChI=1S/C22H29BrO4/c1-20-8-5-15(25)11-14(20)3-4-16-17(20)6-9-21(2)18(16)7-10-22(21,27-13-24)19(26)12-23/h11,13,16-18H,3-10,12H2,1-2H3/t16-,17+,18+,20+,21+,22+/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)[C@@H]2C[C@@H]2C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C18H16O4/c1-20-13-5-2-11(3-6-13)18(19)15-9-14(15)12-4-7-16-17(8-12)22-10-21-16/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1
SMILES: CCC(C(C)([C@H]1[C@H](C2=C(C[C@@](O2)([C@@H]([C@H](C([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(C)C)O)C)C)C)O)O
InChI: InChI=1S/C39H69NO12/c1-15-27(41)39(12,45)34-22(6)30-20(4)17-38(11,52-30)33(51-36-29(42)26(16-21(5)47-36)40(13)19(2)3)23(7)31(24(8)35(44)50-34)49-28-18-37(10,46-14)32(43)25(9)48-28/h19,21-29,31-34,36,41-43,45H,15-18H2,1-14H3/t21-,22+,23+,24-,25+,26+,27?,28+,29-,31?,32+,33-,34-,36+,37-,38-,39?/m1/s1
SMILES: C1CN(CCN1C(P(=O)(O)O)P(=O)(O)O)C(=O)[C@@H]2[C@H](O2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H27N3O9P2/c26-20(23-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16)18-19(34-18)21(27)24-11-13-25(14-12-24)22(35(28,29)30)36(31,32)33/h1-10,17-19,22H,11-14H2,(H,23,26)(H2,28,29,30)(H2,31,32,33)/t18-,19-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCC[C@@H]1[C@@](CO[C@@H](O1)C2=CC=C(C=C2)OC)(/C=C\I)OCC3=CC=CC=C3
InChI: InChI=1S/C28H39IO5Si/c1-27(2,3)35(5,6)33-19-16-25-28(17-18-29,32-20-22-10-8-7-9-11-22)21-31-26(34-25)23-12-14-24(30-4)15-13-23/h7-15,17-18,25-26H,16,19-21H2,1-6H3/b18-17-/t25-,26+,28+/m1/s1
SMILES: C[C@@H]1[C@H]([C@H](C(=O)C2(CCC2)[C@H](CC(=O)N[C@@H](C/C=C(\CCO1)/C)C3=CC4=C(C=C3)OC(=N4)C)O)CC=C)O
InChI: InChI=1S/C30H40N2O6/c1-5-7-22-28(35)19(3)37-15-12-18(2)8-10-23(21-9-11-25-24(16-21)31-20(4)38-25)32-27(34)17-26(33)30(29(22)36)13-6-14-30/h5,8-9,11,16,19,22-23,26,28,33,35H,1,6-7,10,12-15,17H2,2-4H3,(H,32,34)/b18-8-/t19-,22-,23+,26+,28-/m1/s1
SMILES: C[C@@]1([C@](O[C@@H]2[C@@H](O1)[C@@H]([C@H](O[C@@H]2OC)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)(C)OC)OC
InChI: InChI=1S/C40H52O13/c1-39(44-4)40(2,45-5)53-36-34(52-39)32(30(22-42)49-37(36)43-3)51-38-35(48-25-28-19-13-8-14-20-28)33(47-24-27-17-11-7-12-18-27)31(29(21-41)50-38)46-23-26-15-9-6-10-16-26/h6-20,29-38,41-42H,21-25H2,1-5H3/t29-,30-,31-,32-,33+,34+,35-,36-,37+,38-,39-,40-/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@](CCC(=O)N2C)([C@@H]3C1[C@@H]4C[C@@H](C[C@]4(CC3)C)OC5=CC=CC(=C5)C#N)C
InChI: InChI=1S/C27H36N2O2/c1-17-12-23-27(3,11-9-24(30)29(23)4)21-8-10-26(2)15-20(14-22(26)25(17)21)31-19-7-5-6-18(13-19)16-28/h5-7,13,17,20-23,25H,8-12,14-15H2,1-4H3/t17-,20-,21-,22-,23+,25?,26+,27+/m0/s1
SMILES: C1=CC=C2[C@@H]3[C@@H]4[C@H]([C@H](N3C=CC2=C1)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C27H18Cl2N2O3/c28-17-7-5-16(6-8-17)25(32)24-22-21(23-20-4-2-1-3-15(20)13-14-30(23)24)26(33)31(27(22)34)19-11-9-18(29)10-12-19/h1-14,21-24H/t21-,22+,23+,24-/m0/s1
SMILES: C[C@@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N[C@@H]3CCCC[C@@H]3C
InChI: InChI=1S/C19H27NO3S/c1-12-7-8-16-14(9-12)10-17(24-16)19(22)23-11-18(21)20-15-6-4-3-5-13(15)2/h10,12-13,15H,3-9,11H2,1-2H3,(H,20,21)/t12-,13+,15-/m1/s1
SMILES: C[NH+]1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=C(C(=CC=C3)OC)OC
InChI: InChI=1S/C21H21N5O2/c1-26-8-7-13-15(9-22)20(25)21(11-23,12-24)18(16(13)10-26)14-5-4-6-17(27-2)19(14)28-3/h4-7,15-16,18,25H,8,10H2,1-3H3/p+1/t15?,16-,18+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@H]2CCCCCCOC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)OC
InChI: InChI=1S/C21H33NO7/c1-14-13-17(27-2)16-10-5-3-4-8-12-28-20(25)15-9-6-7-11-22(15)19(24)18(23)21(14,26)29-16/h14-17,26H,3-13H2,1-2H3/t14-,15+,16-,17+,21-/m1/s1
SMILES: C1CCCC2=C(CC1)C=C(C(=S)N2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C#N
InChI: InChI=1S/C18H24N2O5S/c19-8-11-7-10-5-3-1-2-4-6-12(10)20(18(11)26)17-16(24)15(23)14(22)13(9-21)25-17/h7,13-17,21-24H,1-6,9H2/t13-,14-,15+,16-,17-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H]2C3[C@@H](C[C@H](ON3O1)OC4CCCCC4C5=CC=CC=C5)OC2=O
InChI: InChI=1S/C22H27NO7/c1-2-26-22(25)20-18-19-16(28-21(18)24)12-17(29-23(19)30-20)27-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,14-20H,2,6-7,10-12H2,1H3/t14?,15?,16-,17+,18-,19?,20-/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C(=N)OC)N3CCCC3=O)O)C
InChI: InChI=1S/C17H22N2O4/c1-17(2)15(21)14(19-8-4-5-13(19)20)11-9-10(16(18)22-3)6-7-12(11)23-17/h6-7,9,14-15,18,21H,4-5,8H2,1-3H3/t14-,15+/m1/s1
SMILES: CCOC(=O)/C=C/C1=CN(C2=C1C(=O)N(C(=O)N2COCC3=CC=CC=C3)COC)[C@H]4C[C@@H]([C@H](O4)COC(=O)C5=CC=C(C=C5)C)OC(=O)C6=CC=C(C=C6)C
InChI: InChI=1S/C42H43N3O11/c1-5-53-36(46)20-19-32-22-43(38-37(32)39(47)45(25-51-4)42(50)44(38)26-52-23-29-9-7-6-8-10-29)35-21-33(56-41(49)31-17-13-28(3)14-18-31)34(55-35)24-54-40(48)30-15-11-27(2)12-16-30/h6-20,22,33-35H,5,21,23-26H2,1-4H3/b20-19+/t33-,34+,35+/m0/s1
SMILES: COC1=CC2=C(C=C1)[C@H]([C@@H]([C@H](O2)C3=CC(=C(C(=C3)OC)OC)OC)O)O
InChI: InChI=1S/C19H22O7/c1-22-11-5-6-12-13(9-11)26-18(17(21)16(12)20)10-7-14(23-2)19(25-4)15(8-10)24-3/h5-9,16-18,20-21H,1-4H3/t16-,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)NC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)CSC5=CC=CC=C5
InChI: InChI=1S/C32H33F3N2O5S/c1-20-27(19-43-25-6-3-2-4-7-25)41-30(42-28(20)22-11-9-21(18-38)10-12-22)23-13-15-24(16-14-23)36-29(39)26-8-5-17-37(26)31(40)32(33,34)35/h2-4,6-7,9-16,20,26-28,30,38H,5,8,17-19H2,1H3,(H,36,39)/t20-,26+,27+,28+,30+/m1/s1
SMILES: C[C@@H]1[C@H](C[C@]2(C([C@@H]([C@@H](O2)C=C)OCC3=CC=C(C=C3)OC)(C)C)O[C@@H]1CCO)O
InChI: InChI=1S/C23H34O6/c1-6-19-21(27-14-16-7-9-17(26-5)10-8-16)22(3,4)23(28-19)13-18(25)15(2)20(29-23)11-12-24/h6-10,15,18-21,24-25H,1,11-14H2,2-5H3/t15-,18+,19+,20-,21-,23-/m1/s1
SMILES: CC(C)(C=C)[C@@H]([C@@H]1[C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)OCO1)O
InChI: InChI=1S/C18H24O5/c1-4-18(2,3)16(19)15-14-13(21-11-22-15)10-20-17(23-14)12-8-6-5-7-9-12/h4-9,13-17,19H,1,10-11H2,2-3H3/t13-,14-,15+,16-,17-/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2CC(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F
InChI: InChI=1S/C17H19FN2O5/c18-14-4-3-13(20(23)24)8-15(14)19-16(21)9-25-17(22)7-12-6-10-1-2-11(12)5-10/h3-4,8,10-12H,1-2,5-7,9H2,(H,19,21)/t10-,11-,12+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1[C@@H]([C@H]2NC(=O)C3=CSC=C3)CCCCOCC(=O)O
InChI: InChI=1S/C18H25NO4S/c20-16(21)10-23-7-2-1-3-15-12-4-5-13(9-12)17(15)19-18(22)14-6-8-24-11-14/h6,8,11-13,15,17H,1-5,7,9-10H2,(H,19,22)(H,20,21)/t12-,13+,15-,17-/m0/s1
SMILES: CC(=O)OC[C@@]12[C@H]([C@H](C[C@]([C@@]13[C@@H]([C@@H](C(=O)[C@H]2OC(=O)C4=CC=CC=C4)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H36O13/c1-15(31)38-14-29-23(40-17(3)33)20(39-16(2)32)13-28(7,37)30(29)24(41-18(4)34)21(27(5,6)43-30)22(35)25(29)42-26(36)19-11-9-8-10-12-19/h8-12,20-21,23-25,37H,13-14H2,1-7H3/t20-,21+,23-,24+,25+,28-,29-,30-/m0/s1
SMILES: C[C@@H](CCC1=CC=CC=C1)C2CCN(CC2)C[C@H]3CN(C[C@@H]3C4=CC(=CC=C4)F)[C@H](C5CCCCC5)C(=O)O
InChI: InChI=1S/C34H47FN2O2/c1-25(15-16-26-9-4-2-5-10-26)27-17-19-36(20-18-27)22-30-23-37(24-32(30)29-13-8-14-31(35)21-29)33(34(38)39)28-11-6-3-7-12-28/h2,4-5,8-10,13-14,21,25,27-28,30,32-33H,3,6-7,11-12,15-20,22-24H2,1H3,(H,38,39)/t25-,30-,32+,33+/m0/s1
SMILES: CC1([C@H]([C@@H](C(N1)(C)C)C(=O)OC)CNC(=O)C2=CC=CC=C2[Se][Se]C3=CC=CC=C3C(=O)NC[C@H]4[C@@H](C(NC4(C)C)(C)C)C(=O)OC)C
InChI: InChI=1S/C36H50N4O6Se2/c1-33(2)23(27(31(43)45-9)35(5,6)39-33)19-37-29(41)21-15-11-13-17-25(21)47-48-26-18-14-12-16-22(26)30(42)38-20-24-28(32(44)46-10)36(7,8)40-34(24,3)4/h11-18,23-24,27-28,39-40H,19-20H2,1-10H3,(H,37,41)(H,38,42)/t23-,24-,27+,28+/m0/s1
SMILES: CC(C)CC(=O)N(CC(F)(F)F)[C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=CC=CC=C23)C(=O)NCCO
InChI: InChI=1S/C22H27F3N2O5/c1-12(2)9-17(29)27(11-22(23,24)25)15-10-14(21(31)26-7-8-28)18-13-5-3-4-6-16(13)32-20(18)19(15)30/h3-6,10,12,15,18-20,28,30H,7-9,11H2,1-2H3,(H,26,31)/t15-,18+,19+,20+/m1/s1
SMILES: COC1=CC=CC(=C1OC)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C19H23N5O6/c1-28-11-5-3-4-10(16(11)29-2)6-20-17-13-18(22-8-21-17)24(9-23-13)19-15(27)14(26)12(7-25)30-19/h3-5,8-9,12,14-15,19,25-27H,6-7H2,1-2H3,(H,20,21,22)/t12-,14-,15-,19-/m1/s1
SMILES: CCOC(=O)[C@](C)(C(C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)C)O)F
InChI: InChI=1S/C40H71FO5Si2/c1-16-44-35(43)40(11,41)33(42)23-26(2)30-19-20-31-29-18-17-27-24-28(45-47(12,13)36(3,4)5)25-34(46-48(14,15)37(6,7)8)39(27,10)32(29)21-22-38(30,31)9/h17-18,26,28,30-34,42H,16,19-25H2,1-15H3/t26-,28-,30-,31+,32+,33?,34+,38-,39+,40+/m1/s1
SMILES: C[C@]1(CC(=O)C=C2[C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)O)C(=O)O
InChI: InChI=1S/C19H22O5/c1-9-6-19-7-10(9)3-4-13(19)12-5-11(20)8-18(2,17(23)24)14(12)15(19)16(21)22/h5,10,13-15H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t10-,13+,14-,15-,18-,19+/m1/s1
SMILES: CC1(O[C@@H]([C@H](O1)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C29H26O2/c1-29(2)30-27(25-17-13-23(14-18-25)21-9-5-3-6-10-21)28(31-29)26-19-15-24(16-20-26)22-11-7-4-8-12-22/h3-20,27-28H,1-2H3/t27-,28-/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2OCC(C)(C)C)O/C(=C\Cl)/Cl
InChI: InChI=1S/C17H28Cl2O2/c1-15(2,3)10-20-14-13(21-12(19)9-18)11-7-8-17(14,6)16(11,4)5/h9,11,13-14H,7-8,10H2,1-6H3/b12-9-/t11-,13-,14-,17+/m1/s1
SMILES: CCOC(C)OC(C)(C)C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)OC5CCCCO5)OC6CCCCO6)C)C)(F)F
InChI: InChI=1S/C41H68F2O6/c1-8-44-28(3)49-38(4,5)41(42,43)22-19-27(2)32-17-18-33-31-16-15-29-25-30(47-36-13-9-11-23-45-36)26-35(48-37-14-10-12-24-46-37)40(29,7)34(31)20-21-39(32,33)6/h15,27-28,30-37H,8-14,16-26H2,1-7H3/t27-,28?,30-,31+,32-,33+,34+,35+,36?,37?,39-,40+/m1/s1
SMILES: C[C@H]([C@@]1([C@@H]2C[C@@H]3[C@]4(C[C@@H]([C@H]2CO3)N1)C5=C(C=C(C=C5)OC)N(C4=O)OC)CO)O
InChI: InChI=1S/C21H28N2O6/c1-11(25)21(10-24)15-7-18-20(8-16(22-21)13(15)9-29-18)14-5-4-12(27-2)6-17(14)23(28-3)19(20)26/h4-6,11,13,15-16,18,22,24-25H,7-10H2,1-3H3/t11-,13+,15-,16+,18-,20+,21-/m1/s1
SMILES: C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)O)C(=O)N
InChI: InChI=1S/C8H13N4O7PS/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(19-8)1-18-20(16,17)21/h2-5,8,13-14H,1H2,(H2,9,15)(H2,16,17,21)/t3-,4-,5-,8-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H](CC1=O)O[Si](C)(C)C(C)(C)C)CN(C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C25H41NO6SSi/c1-17-11-13-19(14-12-17)33(29,30)26(23(28)31-24(3,4)5)16-20-18(2)21(27)15-22(20)32-34(9,10)25(6,7)8/h11-14,18,20,22H,15-16H2,1-10H3/t18-,20-,22-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCOC(=O)CN4C=CC(=NC4=O)N
InChI: InChI=1S/C17H18N4O5/c18-11-3-4-20(17(25)19-11)8-12(22)26-6-5-21-15(23)13-9-1-2-10(7-9)14(13)16(21)24/h1-4,9-10,13-14H,5-8H2,(H2,18,19,25)/t9-,10+,13+,14-
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3[C@@H](C(C(=O)N3C2(C)C)(C)C)C(=C)C
InChI: InChI=1S/C19H31NO2/c1-11(2)15-16-20(17(21)18(15,4)5)19(6,7)13-9-8-12(3)10-14(13)22-16/h12-16H,1,8-10H2,2-7H3/t12-,13-,14-,15+,16+/m1/s1
SMILES: COC[C@H]1[C@@H](OC(O1)CC2=CC=CC=C2[C@H](C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)COC
InChI: InChI=1S/C29H33NO6/c1-32-19-25-26(20-33-2)36-27(35-25)17-23-15-9-10-16-24(23)28(22-13-7-4-8-14-22)30-29(31)34-18-21-11-5-3-6-12-21/h3-16,25-28H,17-20H2,1-2H3,(H,30,31)/t25-,26-,28-/m0/s1
SMILES: C1CCNC2[C@@]3(CC/C=C\C1)CN4CCCC/C=C\CC[C@@]2(C=C([C@@H]3CC4)C5=NC=CC6=C5NC7=CC=CC=C67)O
InChI: InChI=1S/C36H46N4O/c41-36-20-12-6-2-4-8-14-23-40-24-18-30(35(26-40)19-11-5-1-3-7-13-21-38-34(35)36)29(25-36)32-33-28(17-22-37-32)27-15-9-10-16-31(27)39-33/h1-2,5-6,9-10,15-17,22,25,30,34,38-39,41H,3-4,7-8,11-14,18-21,23-24,26H2/b5-1-,6-2-/t30-,34?,35-,36-/m0/s1
SMILES: C[C@@H]1CCC2=NN([C@]([C@H]2C1)(C(F)(F)F)O)C(=O)COC3=CC=CC=C3C
InChI: InChI=1S/C18H21F3N2O3/c1-11-7-8-14-13(9-11)17(25,18(19,20)21)23(22-14)16(24)10-26-15-6-4-3-5-12(15)2/h3-6,11,13,25H,7-10H2,1-2H3/t11-,13+,17+/m1/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)O)O)O
InChI: InChI=1S/C43H56O14Si/c1-26(2)43(4,5)58(6,7)52-25-32-36(57-41-35(47)34(46)33(45)31(53-41)24-50-27(3)44)37(55-39(48)29-19-13-9-14-20-29)38(56-40(49)30-21-15-10-16-22-30)42(54-32)51-23-28-17-11-8-12-18-28/h8-22,26,31-38,41-42,45-47H,23-25H2,1-7H3/t31-,32-,33+,34+,35-,36-,37+,38-,41+,42-/m1/s1
SMILES: C1=CC(=CC=C1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C18H25NO13/c20-5-9-11(21)13(23)15(25)17(31-9)29-6-10-12(22)14(24)16(26)18(32-10)30-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12-,13+,14+,15+,16+,17+,18+/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)OC(=O)CN6CCOCC6
InChI: InChI=1S/C29H43NO6/c1-27-8-5-21(36-26(32)17-30-11-13-34-14-12-30)16-20(27)3-4-24-23(27)6-9-28(2)22(7-10-29(24,28)33)19-15-25(31)35-18-19/h15,20-24,33H,3-14,16-18H2,1-2H3/t20-,21+,22-,23+,24-,27+,28-,29+/m1/s1
SMILES: CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)COC(=O)C)C(=O)O3)O)C)\C)C
InChI: InChI=1S/C34H48O9/c1-6-29-22(4)12-13-33(43-29)17-27-16-26(42-33)11-10-21(3)14-20(2)8-7-9-25-19-40-31-30(36)24(18-39-23(5)35)15-28(32(37)41-27)34(25,31)38/h7-10,15,20,22,26-31,36,38H,6,11-14,16-19H2,1-5H3/b8-7+,21-10+,25-9+/t20-,22-,26+,27-,28-,29+,30+,31+,33+,34+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=CC(=C7)OC(F)(F)F)O)C(=O)N(C5=O)C8=CC=C(C=C8)Br
InChI: InChI=1S/C40H31BrF3N3O6/c1-21-7-11-24(12-8-21)45-47-36(50)31-20-29-27(16-17-28-33(29)37(51)46(35(28)49)25-13-9-23(41)10-14-25)34(39(31,38(47)52)22-5-3-2-4-6-22)30-19-26(15-18-32(30)48)53-40(42,43)44/h2-16,18-19,28-29,31,33-34,45,48H,17,20H2,1H3/t28-,29+,31-,33-,34+,39+/m0/s1
SMILES: C[C@@H]([C@H](C1=CC=C(C=C1)O)O)N[C@@H]2C[C@@H]3[C@@H]2C=CC3
InChI: InChI=1S/C16H21NO2/c1-10(16(19)11-5-7-13(18)8-6-11)17-15-9-12-3-2-4-14(12)15/h2,4-8,10,12,14-19H,3,9H2,1H3/t10-,12+,14-,15+,16+/m0/s1
SMILES: C[C@]12[C@@H]3CCC([C@@H]1C=C[C@@]([C@H]2[C@@H](O3)OC)(CS(=NC)(=O)C4=CC=CC=C4)O)(C)C
InChI: InChI=1S/C23H33NO4S/c1-21(2)13-12-18-22(3)17(21)11-14-23(25,19(22)20(27-5)28-18)15-29(26,24-4)16-9-7-6-8-10-16/h6-11,14,17-20,25H,12-13,15H2,1-5H3/t17-,18-,19-,20+,22+,23-,29?/m0/s1
SMILES: C[C@@H]1C[C@]2([C@@H](C[C@H]1C(=O)OC)C3OCCO3)C(=C(C(=O)O2)C(=O)C4=CC=CC5=CC=CC=C54)OC
InChI: InChI=1S/C27H28O8/c1-15-14-27(20(26-33-11-12-34-26)13-19(15)24(29)32-3)23(31-2)21(25(30)35-27)22(28)18-10-6-8-16-7-4-5-9-17(16)18/h4-10,15,19-20,26H,11-14H2,1-3H3/t15-,19-,20+,27+/m1/s1
SMILES: C[C@H]1CC[C@H]([C@H](C=C1)OC(=O)C)[C@@H](C)COC(=O)C
InChI: InChI=1S/C15H24O4/c1-10-5-7-14(11(2)9-18-12(3)16)15(8-6-10)19-13(4)17/h6,8,10-11,14-15H,5,7,9H2,1-4H3/t10-,11-,14-,15-/m0/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC=C5OC)O)Cl)CBr)Cl
InChI: InChI=1S/C21H19BrCl2N4O6/c1-25-18(32)27-7-6-10-11(28(27)19(25)33)8-20(23)16(30)26(9-22)17(31)21(20,24)15(10)14-12(29)4-3-5-13(14)34-2/h3-6,11,15,29H,7-9H2,1-2H3/t11-,15-,20-,21+/m1/s1
SMILES: C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1([C@H](CC3=C2CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)O)OC(=O)CC(C)(CC(=O)O)O)C)O)C)C
InChI: InChI=1S/C36H60O9/c1-20(10-13-26(37)32(4,5)43)21-14-15-35(8)22-11-12-25-31(2,3)30(42)24(45-29(41)19-33(6,44)18-28(39)40)17-34(25,7)23(22)16-27(38)36(21,35)9/h20-21,24-27,30,37-38,42-44H,10-19H2,1-9H3,(H,39,40)/t20-,21-,24-,25+,26-,27+,30+,33?,34-,35+,36+/m1/s1
SMILES: CC(C)CC(=O)N(CC1=C(C=C(C=C1)Cl)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C29H34Cl2N2O7/c1-15(2)8-24(36)33(13-17-4-5-18(30)11-21(17)31)22-12-20(29(38)32-6-7-34)25-19-9-16(14-35)10-23(39-3)27(19)40-28(25)26(22)37/h4-5,9-12,15,22,25-26,28,34-35,37H,6-8,13-14H2,1-3H3,(H,32,38)/t22-,25+,26+,28+/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+]2CC[C@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C21H30N2O4S/c1-4-27-21(26)18-13(2)19(14(3)24)28-20(18)22-17(25)12-23-10-9-15-7-5-6-8-16(15)11-23/h15-16H,4-12H2,1-3H3,(H,22,25)/p+1/t15-,16-/m1/s1
SMILES: CC[O+]=C(SC1(C[C@@H]([C@H]([C@@H](O1)[C@@H](C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)SSC2=CC=CC=C2
InChI: InChI=1S/C29H37NO13S3/c1-8-38-28(46-45-21-12-10-9-11-13-21)44-29(27(36)37-7)14-22(40-18(4)33)24(30-16(2)31)26(43-29)25(42-20(6)35)23(41-19(5)34)15-39-17(3)32/h9-13,22-26H,8,14-15H2,1-7H3/p+1/t22-,23?,24+,25+,26+,29?/m0/s1
SMILES: CN1CCN(CC1)CCCN([C@@H]2CC[C@]3([C@@H]2C3)C4=CN=CC=C4)C(=O)NC5=CC(=C(C=C5)F)Cl
InChI: InChI=1S/C26H33ClFN5O/c1-31-12-14-32(15-13-31)10-3-11-33(25(34)30-20-5-6-23(28)22(27)16-20)24-7-8-26(17-21(24)26)19-4-2-9-29-18-19/h2,4-6,9,16,18,21,24H,3,7-8,10-15,17H2,1H3,(H,30,34)/t21-,24-,26-/m1/s1
SMILES: CN1C=NC2=C1C=C[N+](=C2)CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/C5=CSC(=N5)N)SC3)C(=O)[O-]
InChI: InChI=1S/C21H20N8O5S2/c1-27-9-23-11-6-28(4-3-13(11)27)5-10-7-35-19-15(18(31)29(19)16(10)20(32)33)25-17(30)14(26-34-2)12-8-36-21(22)24-12/h3-4,6,8-9,15,19H,5,7H2,1-2H3,(H3-,22,24,25,30,32,33)/b26-14-/t15-,19-/m1/s1
SMILES: C[C@@H]1[C@H]([NH2+][C@@H](CC1=O)C2=CC=CO2)C3=CC=CO3
InChI: InChI=1S/C14H15NO3/c1-9-11(16)8-10(12-4-2-6-17-12)15-14(9)13-5-3-7-18-13/h2-7,9-10,14-15H,8H2,1H3/p+1/t9-,10-,14-/m0/s1
SMILES: C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@H]([C@H](O2)CO)O)O)N)Cl
InChI: InChI=1S/C9H12ClN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5+,6+,8-/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@@H]([C@H](O3)C5=CC=C(C=C5)Br)C(=O)N(C4=O)C6=C(C=C(C=C6)Cl)Cl
InChI: InChI=1S/C26H14BrCl2NO5/c27-13-7-5-12(6-8-13)21-19-20(25(34)30(24(19)33)18-10-9-14(28)11-17(18)29)26(35-21)22(31)15-3-1-2-4-16(15)23(26)32/h1-11,19-21H/t19-,20-,21+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=CSC(=N4)NC5=CC=CC=N5)CC[C@@H]6[C@@]3(C=CC(=O)N6C)C
InChI: InChI=1S/C27H34N4OS/c1-26-13-11-19-17(7-10-22-27(19,2)14-12-24(32)31(22)3)18(26)8-9-20(26)21-16-33-25(29-21)30-23-6-4-5-15-28-23/h4-6,12,14-20,22H,7-11,13H2,1-3H3,(H,28,29,30)/t17-,18-,19-,20+,22+,26-,27+/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)N2[C@@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)CC#N
InChI: InChI=1S/C16H17N3O5S2/c1-23-10-3-4-13(24-2)11(7-10)19-12-8-26(21,22)9-14(12)25-16(19)18-15(20)5-6-17/h3-4,7,12,14H,5,8-9H2,1-2H3/t12-,14-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2C[C@H]3CCC[C@]3(C2)C(=O)N4[C@@H]5C[C@H]6CC[C@@]5(C6(C)C)CS4(=O)=O
InChI: InChI=1S/C26H36N2O3S/c1-18(19-8-5-4-6-9-19)27-15-21-10-7-12-25(21,16-27)23(29)28-22-14-20-11-13-26(22,24(20,2)3)17-32(28,30)31/h4-6,8-9,18,20-22H,7,10-17H2,1-3H3/t18-,20+,21+,22+,25+,26+/m0/s1
SMILES: C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)F)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C17H16ClFN2O3/c1-9(15(22)20-14-7-6-10(18)8-13(14)19)21-16(23)11-4-2-3-5-12(11)17(21)24/h2-3,6-9,11-12H,4-5H2,1H3,(H,20,22)/t9-,11-,12-/m0/s1
SMILES: CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1OC2=CC=C(C=C2)Cl)CO)O)O
InChI: InChI=1S/C14H18ClNO6/c1-7(18)16-11-13(20)12(19)10(6-17)22-14(11)21-9-4-2-8(15)3-5-9/h2-5,10-14,17,19-20H,6H2,1H3,(H,16,18)/t10-,11-,12-,13-,14-/m0/s1
SMILES: CO[C@@H]1CC(=O)C2=C3[C@@]14OC5=C6C(=C(C=C5)O)[C@H]([C@@H]7[C@H]([C@]6(O4)OC3=CC=C2)O7)O
InChI: InChI=1S/C21H16O8/c1-25-13-7-10(23)8-3-2-4-11-15(8)20(13)27-12-6-5-9(22)14-16(12)21(28-11,29-20)19-18(26-19)17(14)24/h2-6,13,17-19,22,24H,7H2,1H3/t13-,17-,18-,19-,20-,21+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C6=CC(=C(C(=C6)I)O)OC
InChI: InChI=1S/C30H23ClINO6/c1-13-9-22(34)20-12-19-17(24(26(20)27(13)35)14-10-21(32)28(36)23(11-14)39-2)7-8-18-25(19)30(38)33(29(18)37)16-5-3-15(31)4-6-16/h3-7,9-11,18-19,24-25,36H,8,12H2,1-2H3/t18-,19+,24-,25-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C
InChI: InChI=1S/C12H25NO4Si2/c1-8(17-19(5,6)7)9-10(12(15)16)13(11(9)14)18(2,3)4/h8-10H,1-7H3,(H,15,16)/t8-,9-,10+/m1/s1