EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)N2CC[C@]3(CCCC[C@@H]3[C@@H]2C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C26H31NO4/c1-30-21-11-6-19(7-12-21)8-15-24(28)27-18-17-26(29)16-4-3-5-23(26)25(27)20-9-13-22(31-2)14-10-20/h6-15,23,25,29H,3-5,16-18H2,1-2H3/b15-8+/t23-,25+,26+/m1/s1
SMILES: C[C@@H]1[C@@H](C(=O)N(C1=O)C2=CC(=CC=C2)Cl)CC3=CC(=CC(=C3)C)C
InChI: InChI=1S/C20H20ClNO2/c1-12-7-13(2)9-15(8-12)10-18-14(3)19(23)22(20(18)24)17-6-4-5-16(21)11-17/h4-9,11,14,18H,10H2,1-3H3/t14-,18+/m1/s1
SMILES: CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C
InChI: InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-20,22-23,25-26,30H,8-18H2,1-7H3/t20?,22-,23?,25+,26+,28-,29-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])NC(=O)CNC(=O)[C@@H]3CSCN3
InChI: InChI=1S/C12H18N4O7S/c17-9(1-13-12(18)7-4-24-5-14-7)15-6-2-21-11-8(23-16(19)20)3-22-10(6)11/h6-8,10-11,14H,1-5H2,(H,13,18)(H,15,17)/t6-,7-,8+,10+,11+/m0/s1
SMILES: C1[C@@H]2[C@@H]([C@@H]([C@H](O2)N3C=CC(=O)NC3=O)[Se]C4=CC=CC=C4)C(=O)O1
InChI: InChI=1S/C16H14N2O5Se/c19-11-6-7-18(16(21)17-11)14-13(24-9-4-2-1-3-5-9)12-10(23-14)8-22-15(12)20/h1-7,10,12-14H,8H2,(H,17,19,21)/t10-,12+,13+,14+/m1/s1
SMILES: CCC[C@]12[C@H]3[C@H]4[C@H]5[C@@H]([C@H]1C(=O)[C@@]46OC(=O)C(O6)(C)C)[C@@]2([C@@H]3C(=O)[C@@]57OC(=O)C(O7)(C)C)CCC
InChI: InChI=1S/C26H32O8/c1-7-9-23-11-13-14-12(15(23)17(27)25(13)31-19(29)21(3,4)33-25)24(23,10-8-2)16(11)18(28)26(14)32-20(30)22(5,6)34-26/h11-16H,7-10H2,1-6H3/t11-,12-,13-,14+,15-,16-,23-,24+,25+,26+/m0/s1
SMILES: CCOC(=O)N(CC1=CC=C(C=C1)OC(F)(F)F)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC=C(C=C7)OC)C)O
InChI: InChI=1S/C41H48F3NO7/c1-5-51-35(48)45(24-26-6-10-30(11-7-26)52-41(42,43)44)25-39(49)19-16-33-37(39,3)18-15-32-36(2)17-14-28(46)22-38(36)20-21-40(32,33)31(23-38)34(47)27-8-12-29(50-4)13-9-27/h6-13,20-21,23,28,32-33,46,49H,5,14-19,22,24-25H2,1-4H3/t28?,32-,33-,36-,37+,38+,39-,40-/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N3[C@H](COC3=O)CC4=CC=CC=C4
InChI: InChI=1S/C19H23NO3/c1-12-14-7-8-15(10-14)17(12)18(21)20-16(11-23-19(20)22)9-13-5-3-2-4-6-13/h2-6,12,14-17H,7-11H2,1H3/t12-,14+,15-,16-,17+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1[C@H]([C@]2(C(=O)C3=CC=CC=C3)N)C4=CC=CC=C4
InChI: InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1
SMILES: CC1([C@@H]([C@H](C2=C(O1)C=C(C=C2)NS(=O)(=O)C(F)(F)F)NCCC3=CC=CC=C3)O)C.C(=C\C(=O)O)\C(=O)O
InChI: InChI=1S/C20H23F3N2O4S.C4H4O4/c1-19(2)18(26)17(24-11-10-13-6-4-3-5-7-13)15-9-8-14(12-16(15)29-19)25-30(27,28)20(21,22)23;5-3(6)1-2-4(7)8/h3-9,12,17-18,24-26H,10-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-,18+;/m0./s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[P@@](=O)(C2=CC=CC=C2)NC3=CC(=CC=C3)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C22H29N2O4P/c1-16(2)21-13-12-17(3)14-22(21)28-29(27,20-10-5-4-6-11-20)23-18-8-7-9-19(15-18)24(25)26/h4-11,15-17,21-22H,12-14H2,1-3H3,(H,23,27)/t17-,21+,22-,29+/m1/s1
SMILES: CCC1=CC=C(C=C1)N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C24H30N2O3S/c1-3-18-7-10-21(11-8-18)26(30(28,29)22-12-4-17(2)5-13-22)16-24(27)25-23-15-19-6-9-20(23)14-19/h4-5,7-8,10-13,19-20,23H,3,6,9,14-16H2,1-2H3,(H,25,27)/t19-,20-,23+/m1/s1
SMILES: CC1(C[C@@H]([C@@H]([C@]23[C@@H]1C=C[C@H]([C@H]2C(=O)OC3)C4SCCS4)OCOC)OCOC)C
InChI: InChI=1S/C21H32O6S2/c1-20(2)9-14(26-11-23-3)17(27-12-24-4)21-10-25-18(22)16(21)13(5-6-15(20)21)19-28-7-8-29-19/h5-6,13-17,19H,7-12H2,1-4H3/t13-,14+,15-,16+,17+,21-/m1/s1
SMILES: C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NC5CCN(CC5)C(=O)[C@@H]6C[C@H]6C7=CC=CC=C7.Cl.Cl
InChI: InChI=1S/C31H42N8O.2ClH/c32-21-10-12-22(13-11-21)35-31-36-28(27-29(37-31)39(19-33-27)24-8-4-5-9-24)34-23-14-16-38(17-15-23)30(40)26-18-25(26)20-6-2-1-3-7-20;;/h1-3,6-7,19,21-26H,4-5,8-18,32H2,(H2,34,35,36,37);2*1H/t21?,22?,25-,26+;;/m0../s1
SMILES: CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H21N3O5/c1-12-6-5-9-17-22-14(10-18(25)23(12)17)11-29-21(28)13(2)24-19(26)15-7-3-4-8-16(15)20(24)27/h3-6,9-10,13,15-16H,7-8,11H2,1-2H3/t13-,15-,16-/m0/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC=C(C=C4)O)C(=O)N(C3=O)C5=CC(=C(C=C5)C(=O)O)O)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC(=C(C=C7)C(=O)O)O
InChI: InChI=1S/C34H26N2O11/c37-17-5-1-14(2-6-17)26-18-9-10-21-27(31(42)35(29(21)40)15-3-7-19(33(44)45)24(38)11-15)22(18)13-23-28(26)32(43)36(30(23)41)16-4-8-20(34(46)47)25(39)12-16/h1-9,11-12,21-23,26-28,37-39H,10,13H2,(H,44,45)(H,46,47)/t21-,22+,23+,26-,27-,28+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@]([C@H]([C@H](O1)N2C=CC(=O)NC2=O)OC(=O)C)(C)OC(=O)C
InChI: InChI=1S/C16H20N2O9/c1-8(19)24-7-11-16(4,27-10(3)21)13(25-9(2)20)14(26-11)18-6-5-12(22)17-15(18)23/h5-6,11,13-14H,7H2,1-4H3,(H,17,22,23)/t11-,13+,14+,16+/m1/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@@H]3[C@@H](O2)C(=O)NC3=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H15ClN2O3/c1-10-2-8-13(9-3-10)21-15(11-4-6-12(19)7-5-11)14-16(24-21)18(23)20-17(14)22/h2-9,14-16H,1H3,(H,20,22,23)/t14-,15-,16-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=CC=CC=C3[C@]4(C2=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=NC1=CC=CC=C1S9
InChI: InChI=1S/C51H43N5O7S/c1-31(32-16-5-2-6-17-32)52-50(61)55-39-26-13-11-24-37(39)51(48(55)60)41(46(58)54-49-53-38-25-12-14-27-40(38)64-49)43-47(59)63-44(34-20-9-4-10-21-34)42(33-18-7-3-8-19-33)56(43)45(51)35-22-15-23-36(30-35)62-29-28-57/h2-27,30-31,41-45,57H,28-29H2,1H3,(H,52,61)(H,53,54,58)/t31-,41+,42+,43+,44-,45-,51+/m1/s1
SMILES: CC(=C)[C@H]1C[C@H](CC[C@]1(C)C=C)/C(=C/C=C/C(=O)OC)/C
InChI: InChI=1S/C19H28O2/c1-7-19(5)12-11-16(13-17(19)14(2)3)15(4)9-8-10-18(20)21-6/h7-10,16-17H,1-2,11-13H2,3-6H3/b10-8+,15-9+/t16-,17+,19-/m0/s1
SMILES: [B-](F)(F)(F)F.CC(C1=CC=CC=C1N2[C@H]([C@@H](N([CH-]2)C3=C(C=CC4=CC=CC=C34)P(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C.C1/C=C\CC/C=C\C1.[Rh+2]
InChI: InChI=1S/C46H40N2P.C8H12.BF4.Rh/c1-34(2)40-28-17-18-30-42(40)47-33-48(45(37-22-9-4-10-23-37)44(47)36-20-7-3-8-21-36)46-41-29-16-15-19-35(41)31-32-43(46)49(38-24-11-5-12-25-38)39-26-13-6-14-27-39;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h3-34,44-45H,1-2H3;1-2,7-8H,3-6H2;;/q-1;;-1;+2/b;2-1-,8-7-;;/t44-,45-;;;/m0.../s1
SMILES: CCCOC1=CC=CC=C1N2C(=O)[C@@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)N(C)C
InChI: InChI=1S/C28H29N3O4/c1-4-18-34-23-13-9-8-12-22(23)30-27(32)24-25(19-14-16-20(17-15-19)29(2)3)31(35-26(24)28(30)33)21-10-6-5-7-11-21/h5-17,24-26H,4,18H2,1-3H3/t24-,25+,26-/m1/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)OCCO)C(=O)N(C4=O)CC6=CC=CS6)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C34H30ClFN2O6S/c1-34-25(31(41)38(33(34)43)19-6-11-27(36)26(35)15-19)16-24-22(29(34)18-4-7-20(8-5-18)44-13-12-39)9-10-23-28(24)32(42)37(30(23)40)17-21-3-2-14-45-21/h2-9,11,14-15,23-25,28-29,39H,10,12-13,16-17H2,1H3/t23-,24+,25-,28-,29-,34+/m0/s1
SMILES: CSC(C1=C([C@@H]2[C@H]([C@@]1(C3=CC=CC=C3)O)C(=O)N(C2=O)C4=CC=CC=C4)C#N)SC
InChI: InChI=1S/C23H20N2O3S2/c1-29-22(30-2)18-16(13-24)17-19(23(18,28)14-9-5-3-6-10-14)21(27)25(20(17)26)15-11-7-4-8-12-15/h3-12,17,19,22,28H,1-2H3/t17-,19+,23+/m1/s1
SMILES: C[C@H](CNC(=O)[C@@H](CC1=CC(=C(C=C1)OC)Cl)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)OC(=O)[C@H](CC(C)C)O)C(=O)OC
InChI: InChI=1S/C36H47ClN2O9/c1-21(2)17-28(40)36(44)47-29(23(4)32-33(48-32)25-11-8-7-9-12-25)13-10-14-31(41)39-27(34(42)38-20-22(3)35(43)46-6)19-24-15-16-30(45-5)26(37)18-24/h7-12,14-16,18,21-23,27-29,32-33,40H,13,17,19-20H2,1-6H3,(H,38,42)(H,39,41)/b14-10+/t22-,23+,27-,28+,29+,32-,33-/m1/s1
SMILES: CN(C)C(=O)C1=CC2=C(N1CC3=CC=CC=C3)C[C@@H]4[C@H]2[C@](N(C4)C(=O)C5=CC=CC=C5)(CC6=CC=C(C=C6)F)C(=O)OC
InChI: InChI=1S/C35H34FN3O4/c1-37(2)33(41)30-19-28-29(38(30)21-24-10-6-4-7-11-24)18-26-22-39(32(40)25-12-8-5-9-13-25)35(31(26)28,34(42)43-3)20-23-14-16-27(36)17-15-23/h4-17,19,26,31H,18,20-22H2,1-3H3/t26-,31+,35+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4C(=O)OCC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]
InChI: InChI=1S/C24H17ClN2O7/c25-16-8-7-12(10-18(16)27(32)33)19(28)11-34-24(31)15-3-1-2-4-17(15)26-22(29)20-13-5-6-14(9-13)21(20)23(26)30/h1-8,10,13-14,20-21H,9,11H2/t13-,14+,20+,21-
SMILES: CC1(O[C@@H]2[C@@H]([C@@H](O[C@@H]2O1)[C@@H]3[C@@H](C(=O)N3C4=CC=C(C=C4)OC)OC5=CC=CC=C5)OCC6=CC=CC=C6)C
InChI: InChI=1S/C30H31NO7/c1-30(2)37-27-26(34-18-19-10-6-4-7-11-19)24(36-29(27)38-30)23-25(35-22-12-8-5-9-13-22)28(32)31(23)20-14-16-21(33-3)17-15-20/h4-17,23-27,29H,18H2,1-3H3/t23-,24+,25+,26-,27-,29-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)OCC6=CN=C(N6C)[N+](=O)[O-])O
InChI: InChI=1S/C33H34N4O15/c1-13-26(40)17(35-32(45)50-12-14-10-34-31(36(14)2)37(47)48)7-21(51-13)52-19-9-33(46,20(39)11-38)8-16-23(19)30(44)25-24(28(16)42)27(41)15-5-4-6-18(49-3)22(15)29(25)43/h4-6,10,13,17,19,21,26,38,40,42,44,46H,7-9,11-12H2,1-3H3,(H,35,45)/t13-,17-,19-,21-,26+,33-/m0/s1
SMILES: CCCC[C@H](C)C[14C](=O)/C=C/[C@@H]1[C@H]2C[C@@H](C[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C)CCOCC(=O)OC
InChI: InChI=1S/C29H52O5Si/c1-9-10-11-21(2)16-24(30)12-13-25-26-18-22(14-15-33-20-28(31)32-6)17-23(26)19-27(25)34-35(7,8)29(3,4)5/h12-13,21-23,25-27H,9-11,14-20H2,1-8H3/b13-12+/t21-,22+,23-,25+,26-,27+/m0/s1/i24+2
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)I
InChI: InChI=1S/C40H30Cl2F3IN4O7/c1-56-29-13-18(14-30(57-2)33(29)51)32-24-11-12-25-31(37(54)49(35(25)52)23-9-7-22(46)8-10-23)26(24)16-27-36(53)50(38(55)39(27,32)19-3-5-21(41)6-4-19)48-34-28(42)15-20(17-47-34)40(43,44)45/h3-11,13-15,17,25-27,31-32,51H,12,16H2,1-2H3,(H,47,48)/t25-,26+,27-,31-,32-,39+/m0/s1
SMILES: CCOCC(=O)N(CCC1=CC(=CC=C1)F)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C27H31FN2O6/c1-2-35-16-23(32)30(12-10-17-6-5-7-18(28)14-17)21-15-20(27(34)29-11-13-31)24-19-8-3-4-9-22(19)36-26(24)25(21)33/h3-9,14-15,21,24-26,31,33H,2,10-13,16H2,1H3,(H,29,34)/t21-,24+,25+,26+/m1/s1
SMILES: CCOP(=O)(OCC)O[C@H]1C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)OC(=O)C
InChI: InChI=1S/C14H25O8P/c1-6-17-23(16,18-7-2)22-11-8-10(19-9(3)15)12-13(11)21-14(4,5)20-12/h10-13H,6-8H2,1-5H3/t10-,11+,12+,13-/m1/s1
SMILES: CCCN1C(=O)C=CN(C1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C12H18N2O6/c1-2-4-13-8(16)3-5-14(12(13)19)11-10(18)9(17)7(6-15)20-11/h3,5,7,9-11,15,17-18H,2,4,6H2,1H3/t7-,9-,10+,11-/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)N[C@@H]2CCC[C@@H]([C@@H]2C)C
InChI: InChI=1S/C21H32N2O5S/c1-5-23(6-2)29(26,27)18-11-8-10-17(13-18)21(25)28-14-20(24)22-19-12-7-9-15(3)16(19)4/h8,10-11,13,15-16,19H,5-7,9,12,14H2,1-4H3,(H,22,24)/t15-,16-,19+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)NS(=O)(=O)C2=CC=CC=C2)SC3=CC=CC=C3C(=O)O
InChI: InChI=1S/C19H21NO4S2/c21-19(22)15-10-4-6-12-17(15)25-18-13-7-5-11-16(18)20-26(23,24)14-8-2-1-3-9-14/h1-4,6,8-10,12,16,18,20H,5,7,11,13H2,(H,21,22)/t16-,18-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC=CC=C8O)C(=O)N(C7=O)C9=CC=C(C=C9)C=C)C
InChI: InChI=1S/C42H35ClN4O5S/c1-5-22-10-13-24(14-11-22)46-38(49)27-16-15-25-29(35(27)40(46)51)19-30-39(50)47(41(52)42(30,3)36(25)26-8-6-7-9-32(26)48)34-20-31(44-45(34)4)37-21(2)28-18-23(43)12-17-33(28)53-37/h5-15,17-18,20,27,29-30,35-36,48H,1,16,19H2,2-4H3/t27-,29+,30-,35-,36+,42+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H]3C(=O)C[C@@H](C=C3NC4=NC=NN24)C5=CC=CS5)OC
InChI: InChI=1S/C21H20N4O3S/c1-27-16-6-5-12(10-17(16)28-2)20-19-14(24-21-22-11-23-25(20)21)8-13(9-15(19)26)18-4-3-7-29-18/h3-8,10-11,13,19-20H,9H2,1-2H3,(H,22,23,24)/t13-,19-,20-/m1/s1
SMILES: CC1=C(C(=CC=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)C
InChI: InChI=1S/C24H23NO4/c1-13-5-3-8-19(14(13)2)29-24(28)17-6-4-7-18(12-17)25-22(26)20-15-9-10-16(11-15)21(20)23(25)27/h3-8,12,15-16,20-21H,9-11H2,1-2H3/t15-,16+,20-,21-/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CCC2OCC4=CC=CC=C4)CCC5=C3C=CC(=C5)OCC6=CC=CC=C6)CCCOCCF
InChI: InChI=1S/C37H45FO3/c1-37-24-30(13-8-21-39-22-20-38)36-32-17-15-31(40-25-27-9-4-2-5-10-27)23-29(32)14-16-33(36)34(37)18-19-35(37)41-26-28-11-6-3-7-12-28/h2-7,9-12,15,17,23,30,33-36H,8,13-14,16,18-22,24-26H2,1H3/t30-,33-,34-,35?,36+,37-/m0/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC(=CC(=C5)Cl)Cl
InChI: InChI=1S/C25H22Cl2N2O3/c1-25(2,3)22(30)21-19-18(20-17-7-5-4-6-13(17)8-9-28(20)21)23(31)29(24(19)32)16-11-14(26)10-15(27)12-16/h4-12,18-21H,1-3H3/t18-,19+,20+,21+/m0/s1
SMILES: C1[C@@H]([C@H](OC2=C1C(=CC3=C2C4[C@H]([C@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O)O)C7=CC=C(C=C7)O)O
InChI: InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26?,27+,29+,30-/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@H]([C@@H](C(=O)[C@@H]([C@H]2OCC3=CC=C(C=C3)OC)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C43H42O9/c1-46-35-22-18-32(19-23-35)28-50-41-39(52-43(45)34-16-10-5-11-17-34)37(44)38(48-26-30-12-6-3-7-13-30)40(49-27-31-14-8-4-9-15-31)42(41)51-29-33-20-24-36(47-2)25-21-33/h3-25,38-42H,26-29H2,1-2H3/t38-,39+,40+,41-,42-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F
InChI: InChI=1S/C18H23F2NO5S/c1-11-4-3-5-15(12(11)2)21-16(22)10-26-17(23)13-6-8-14(9-7-13)27(24,25)18(19)20/h6-9,11-12,15,18H,3-5,10H2,1-2H3,(H,21,22)/t11-,12+,15+/m0/s1
SMILES: CCC(=O)[C@@H](C)[C@H]([C@H](C)C[C@@H](C)[C@@H]1[C@@H](C([C@H](/C=C/[C@@H](CCC/C=C(/[C@@H]2C(=CC[C@@](O2)(CC(=O)O1)O)C)\C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)O)OC(=O)N)C)O)C)O
InChI: InChI=1S/C41H67NO12/c1-10-31(43)27(7)36(46)25(5)19-26(6)39-28(8)35(45)22(2)15-16-30(51-34-20-32(52-40(42)48)37(47)29(9)50-34)14-12-11-13-23(3)38-24(4)17-18-41(49,54-38)21-33(44)53-39/h13,15-17,22,25-30,32,34-39,45-47,49H,10-12,14,18-21H2,1-9H3,(H2,42,48)/b16-15+,23-13+/t22-,25+,26+,27+,28+,29+,30+,32+,34-,35?,36-,37+,38+,39+,41+/m0/s1
SMILES: C[C@@H]1OC[C@@H]([C@@H](O1)/C=N/O)C/C=C\CCCC(=O)OC
InChI: InChI=1S/C14H23NO5/c1-11-19-10-12(13(20-11)9-15-17)7-5-3-4-6-8-14(16)18-2/h3,5,9,11-13,17H,4,6-8,10H2,1-2H3/b5-3-,15-9+/t11-,12+,13+/m1/s1
SMILES: C1=CC=C(C=C1)C(C#N)O[C@H]2[C@@H](C([C@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11+,12?,13-,14-/m1/s1
SMILES: CS(=O)(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)OS(=O)(=O)C
InChI: InChI=1S/C11H16N2O9S2/c1-23(16,17)20-6-8-7(22-24(2,18)19)5-10(21-8)13-4-3-9(14)12-11(13)15/h3-4,7-8,10H,5-6H2,1-2H3,(H,12,14,15)/t7-,8+,10+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC2=C3C(=CSC3=NC(=N2)C4=CN=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C24H24N4S/c1-16-8-5-6-12-20(16)26-23-21-19(17-9-3-2-4-10-17)15-29-24(21)28-22(27-23)18-11-7-13-25-14-18/h2-4,7,9-11,13-16,20H,5-6,8,12H2,1H3,(H,26,27,28)/t16-,20+/m1/s1
SMILES: CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@]5(C=CC(=O)[C@@]6(C5[C@H]4OC6)C)C)CCO)C
InChI: InChI=1S/C26H32O5/c1-14-16(15-7-10-29-12-15)11-17-20(14)26(4)18(6-9-27)24(2)8-5-19(28)25(3)13-30-21(22(24)25)23(26)31-17/h5,7-8,10,12,16-18,21-23,27H,6,9,11,13H2,1-4H3/t16-,17-,18-,21-,22?,23-,24-,25-,26-/m1/s1
SMILES: COC1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O
InChI: InChI=1S/C43H46O8/c1-45-36-22-18-34(19-23-36)29-48-40-38(44)39(47-26-31-12-6-3-7-13-31)41(49-27-32-14-8-4-9-15-32)43(42(40)50-28-33-16-10-5-11-17-33)51-30-35-20-24-37(46-2)25-21-35/h3-25,38-44H,26-30H2,1-2H3/t38-,39-,40+,41-,42-,43-/m1/s1
SMILES: CC(C)CC(=O)O[C@@H]1[C@H](C2=C(C=CC(=C2O)/C=C/C(=O)N3CCOCC3)OC1(C)C)[NH+]4CCOCC4
InChI: InChI=1S/C27H38N2O7/c1-18(2)17-22(31)35-26-24(29-11-15-34-16-12-29)23-20(36-27(26,3)4)7-5-19(25(23)32)6-8-21(30)28-9-13-33-14-10-28/h5-8,18,24,26,32H,9-17H2,1-4H3/p+1/b8-6+/t24-,26+/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)COCC2=CC=CC=C2)COCC3=CC=CC=C3)C
InChI: InChI=1S/C21H26O4/c1-21(2)24-19(15-22-13-17-9-5-3-6-10-17)20(25-21)16-23-14-18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)C(CCl)F
InChI: InChI=1S/C13H16ClFN2O6/c1-6(19)22-9-2-11(23-10(9)5-18)17-4-7(8(15)3-14)12(20)16-13(17)21/h4,8-11,18H,2-3,5H2,1H3,(H,16,20,21)/t8?,9-,10+,11+/m0/s1
SMILES: C[C@@]12C=C[C@@]3(O1)[C@@H]([C@@H]2C(=O)NC)C(=O)N([C@@H]3C(=O)NC4CCCC4)CC#C
InChI: InChI=1S/C20H25N3O4/c1-4-11-23-15(17(25)22-12-7-5-6-8-12)20-10-9-19(2,27-20)13(16(24)21-3)14(20)18(23)26/h1,9-10,12-15H,5-8,11H2,2-3H3,(H,21,24)(H,22,25)/t13-,14+,15-,19+,20-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3CO[C@@H]2[C@H](C[C@@H]3OC(=O)C)OCC4=CC=CC=C4
InChI: InChI=1S/C22H25NO6S/c1-15-8-10-18(11-9-15)30(25,26)23-19-14-28-22(23)21(12-20(19)29-16(2)24)27-13-17-6-4-3-5-7-17/h3-11,19-22H,12-14H2,1-2H3/t19-,20-,21-,22+/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(C)S(=O)(=O)C5=CC=C(C=C5)NC(=O)C)OCC=C
InChI: InChI=1S/C50H74N4O10S/c1-6-8-9-10-11-12-13-14-15-18-29-51-49(58)63-39-25-28-45-43(34-39)47-41(22-17-20-31-56)37(21-16-19-30-55)33-42-44(53-61-5)35-46(50(64-45,48(42)47)62-32-7-2)54(4)65(59,60)40-26-23-38(24-27-40)52-36(3)57/h7,23-28,33-34,37,41,46-48,55-56H,2,6,8-22,29-32,35H2,1,3-5H3,(H,51,58)(H,52,57)/t37-,41+,46-,47+,48+,50+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](O1)[C@H]3COC(=O)N3)OC(O2)(C)C
InChI: InChI=1S/C12H17NO7/c1-5(14)17-10-9-8(19-12(2,3)20-9)7(18-10)6-4-16-11(15)13-6/h6-10H,4H2,1-3H3,(H,13,15)/t6-,7-,8+,9+,10+/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)CC6=CC=C(C=C6)NC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79)O
InChI: InChI=1S/C50H46N2O14/c1-24-44(56)34(52-38(55)18-25-14-16-26(17-15-25)51-49(61)64-23-33-29-10-5-3-8-27(29)28-9-4-6-11-30(28)33)19-39(65-24)66-36-21-50(62,37(54)22-53)20-32-41(36)48(60)43-42(46(32)58)45(57)31-12-7-13-35(63-2)40(31)47(43)59/h3-17,24,33-34,36,39,44,53,56,58,60,62H,18-23H2,1-2H3,(H,51,61)(H,52,55)/t24-,34-,36-,39-,44+,50-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C3C4=CC=CC=C4C(=O)NC3=NC2=O)CO)O
InChI: InChI=1S/C16H15N3O5/c20-7-12-11(21)5-13(24-12)19-6-10-8-3-1-2-4-9(8)15(22)17-14(10)18-16(19)23/h1-4,6,11-13,20-21H,5,7H2,(H,17,18,22,23)/t11-,12+,13+/m0/s1
SMILES: CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC[C@@H]3[C@@H]2CCCC3)OC
InChI: InChI=1S/C20H31N3O4S/c1-22(2)28(25,26)19-13-16(10-11-18(19)27-3)21-20(24)14-23-12-6-8-15-7-4-5-9-17(15)23/h10-11,13,15,17H,4-9,12,14H2,1-3H3,(H,21,24)/t15-,17+/m1/s1
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CO)[C@@H]1[C@H]([C@@H](C(=O)O1)O)O)NC(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C20H28N2O8/c1-11(2)8-13(22-20(28)29-10-12-6-4-3-5-7-12)18(26)21-14(9-23)17-15(24)16(25)19(27)30-17/h3-7,11,13-17,23-25H,8-10H2,1-2H3,(H,21,26)(H,22,28)/t13-,14-,15-,16-,17+/m0/s1
SMILES: COC1=CC=C(C=C1)CN2C(=O)[C@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC=CC=C6
InChI: InChI=1S/C28H21NO6/c1-34-18-13-11-16(12-14-18)15-29-26(32)21-22(27(29)33)28(35-23(21)17-7-3-2-4-8-17)24(30)19-9-5-6-10-20(19)25(28)31/h2-14,21-23H,15H2,1H3/t21-,22-,23-/m0/s1
SMILES: CS(=O)(=O)OC[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1COS(=O)(=O)C
InChI: InChI=1S/C11H20O6S2/c1-18(12,13)16-6-10-8-3-4-9(5-8)11(10)7-17-19(2,14)15/h8-11H,3-7H2,1-2H3/t8-,9+,10-,11-/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
SMILES: C[C@H]1CC[C@@]2([C@H](C3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@H](C6)O)C)C)C)OC1
InChI: InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19+,20+,21-,22-,23-,24?,25-,26-,27+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC34CC5CC(C3)CC(C5)C4)S(=O)(=O)C)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=CC=C7)C
InChI: InChI=1S/C41H55NO5S/c1-28-8-7-16-39(2)37(35-14-12-29(21-34(43)13-11-28)22-36(35)38(44)33-9-5-4-6-10-33)15-17-41(39,45)27-42(48(3,46)47)26-40-23-30-18-31(24-40)20-32(19-30)25-40/h4-6,8-10,12,14,22,30-32,34,37,43,45H,7,11,13,15-21,23-27H2,1-3H3/t30?,31?,32?,34-,37-,39-,40?,41+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)CC2=CC(=C(C=C2)C)C
InChI: InChI=1S/C20H29NO3/c1-13-8-9-17(10-15(13)3)11-20(23)24-12-19(22)21-18-7-5-6-14(2)16(18)4/h8-10,14,16,18H,5-7,11-12H2,1-4H3,(H,21,22)/t14-,16+,18+/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-])Cl)O
InChI: InChI=1S/C28H21BrCl3N3O8/c1-43-19-9-12(8-18(30)22(19)36)21-15-6-7-16-20(17(15)10-27(31)25(39)33(11-29)26(40)28(21,27)32)24(38)34(23(16)37)13-2-4-14(5-3-13)35(41)42/h2-6,8-9,16-17,20-21,36H,7,10-11H2,1H3/t16-,17+,20-,21-,27+,28-/m0/s1
SMILES: CCN(CC)C(=O)C[NH+]1CC[C@H]([C@@H](C1)O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C18H28N2O3/c1-4-20(5-2)18(22)13-19-11-10-16(17(21)12-19)14-6-8-15(23-3)9-7-14/h6-9,16-17,21H,4-5,10-13H2,1-3H3/p+1/t16-,17+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](C[C@H](O1)OC)NC(=O)N(CCCl)N=O)O
InChI: InChI=1S/C10H18ClN3O5/c1-6-9(15)7(5-8(18-2)19-6)12-10(16)14(13-17)4-3-11/h6-9,15H,3-5H2,1-2H3,(H,12,16)/t6-,7-,8-,9-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2NC4=CC=CC=C43)O)C(=O)N1
InChI: InChI=1S/C20H29N3O4Si/c1-19(2,3)28(4,5)27-11-14-17(25)23-15(16(24)21-14)10-20(26)12-8-6-7-9-13(12)22-18(20)23/h6-9,14-15,18,22,26H,10-11H2,1-5H3,(H,21,24)/t14-,15-,18-,20+/m0/s1
SMILES: CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=CC8=CC=CC=C87)C(=O)OCCC=C)OCC=C)C
InChI: InChI=1S/C58H65N3O10/c1-5-7-32-67-57(64)60(37-44-18-14-17-42-15-8-9-19-48(42)44)54-36-52(59-69-38-41-22-24-45(25-23-41)61(65)66)50-34-43(16-10-12-29-62)49(20-11-13-30-63)55-51-35-47(70-46-26-21-39(3)40(4)33-46)27-28-53(51)71-58(54,56(50)55)68-31-6-2/h5-6,8-9,14-15,17-19,21-28,33-35,43,49,54-56,62-63H,1-2,7,10-13,16,20,29-32,36-38H2,3-4H3/t43-,49+,54-,55+,56+,58+/m0/s1
SMILES: C=CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)N2C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C17H19NO7/c1-2-7-24-17-12(14(21)13(20)11(8-19)25-17)18-15(22)9-5-3-4-6-10(9)16(18)23/h2-6,11-14,17,19-21H,1,7-8H2/t11-,12-,13-,14-,17-/m1/s1
SMILES: CC1=NN(C2=C1[C@H]([C@@H]3C(=O)CC(C=C3N2)(C)C)C4=CC=C(C=C4)N(C)C)C5=CC=CC=C5
InChI: InChI=1S/C27H30N4O/c1-17-23-24(18-11-13-19(14-12-18)30(4)5)25-21(15-27(2,3)16-22(25)32)28-26(23)31(29-17)20-9-7-6-8-10-20/h6-15,24-25,28H,16H2,1-5H3/t24-,25+/m1/s1
SMILES: C[C@@]1(CC[C@@H]([C@@]2(C1=C[C@H](C[C@H]2O[Si](C)(C)C(C)(C)C)O)C(=O)OC)O)O
InChI: InChI=1S/C19H34O6Si/c1-17(2,3)26(6,7)25-15-11-12(20)10-13-18(4,23)9-8-14(21)19(13,15)16(22)24-5/h10,12,14-15,20-21,23H,8-9,11H2,1-7H3/t12-,14+,15-,18+,19-/m1/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@H](O1)C=C[C@H](O2)OCC3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C21H32O4Si/c1-20(2,3)26(21(4,5)6)23-15-18-17(25-26)12-13-19(24-18)22-14-16-10-8-7-9-11-16/h7-13,17-19H,14-15H2,1-6H3/t17-,18-,19+/m1/s1
SMILES: CC(=O)[C@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)CCC5=CC=CC=C5
InChI: InChI=1S/C24H22N2O3/c1-15(27)21-19-20(22-18-10-6-5-9-17(18)12-14-25(21)22)24(29)26(23(19)28)13-11-16-7-3-2-4-8-16/h2-10,12,14,19-22H,11,13H2,1H3/t19-,20+,21+,22-/m1/s1
SMILES: CC1=CC(=CC(=C1)NC(=O)[C@H]2[C@H](NC(=S)NC2=C)C3=CC(=C(C=C3)O)OC)C
InChI: InChI=1S/C21H23N3O3S/c1-11-7-12(2)9-15(8-11)23-20(26)18-13(3)22-21(28)24-19(18)14-5-6-16(25)17(10-14)27-4/h5-10,18-19,25H,3H2,1-2,4H3,(H,23,26)(H2,22,24,28)/t18-,19-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](CC2=NC(=C([C@H](C2C1=O)C3=CC=C(C=C3)Cl)C(=O)OCC)C)C4=CC(=CC=C4)OC
InChI: InChI=1S/C29H30ClNO6/c1-5-36-28(33)23-16(3)31-22-15-21(18-8-7-9-20(14-18)35-4)25(29(34)37-6-2)27(32)26(22)24(23)17-10-12-19(30)13-11-17/h7-14,21,24-26H,5-6,15H2,1-4H3/t21-,24-,25+,26?/m1/s1
SMILES: CC(C)[C@H]1[C@H](C(=O)C2=CC3=C(CCC[C@]3(CC[C@]12C)C)C(=O)OCC4=CC=CC=C4)O
InChI: InChI=1S/C27H34O4/c1-17(2)22-24(29)23(28)21-15-20-19(25(30)31-16-18-9-6-5-7-10-18)11-8-12-26(20,3)13-14-27(21,22)4/h5-7,9-10,15,17,22,24,29H,8,11-14,16H2,1-4H3/t22-,24+,26-,27-/m0/s1
SMILES: C[C@]12CC3=C(C=C1CC[C@@]24C=C(CO4)C=C)N(N=C3)C5=CC=C(C=C5)F
InChI: InChI=1S/C22H21FN2O/c1-3-15-11-22(26-14-15)9-8-17-10-20-16(12-21(17,22)2)13-24-25(20)19-6-4-18(23)5-7-19/h3-7,10-11,13H,1,8-9,12,14H2,2H3/t21-,22+/m0/s1