EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)C1=CC=C(C=C1)C(=O)NNC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C19H22N2O4/c1-10(2)11-3-5-12(6-4-11)17(22)20-21-18(23)15-13-7-8-14(9-13)16(15)19(24)25/h3-8,10,13-16H,9H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t13-,14+,15+,16+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C(=CC(=O)NC3=O)C#C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C23H38N2O6Si2/c1-22(2,3)33(9,10)28-14-16-18-19(31-23(4,5)30-18)20(29-16)25-15(11-12-32(6,7)8)13-17(26)24-21(25)27/h13,16,18-20H,14H2,1-10H3,(H,24,26,27)/t16-,18-,19-,20-/m1/s1
SMILES: C[C@]1(CC[C@H](C(O1)(C)C)Br)[C@H]2CC[C@]([C@H](O2)CC[C@H]3[C@](O3)(C)CO)(C)O
InChI: InChI=1S/C20H35BrO5/c1-17(2)13(21)8-11-19(4,26-17)15-9-10-18(3,23)14(24-15)6-7-16-20(5,12-22)25-16/h13-16,22-23H,6-12H2,1-5H3/t13-,14-,15-,16+,18+,19+,20+/m1/s1
SMILES: C[C@@H](CC=C)C(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)[C@@H](C)CC=C)OC(=O)NC2=CC=CC=C2)OC)CO
InChI: InChI=1S/C26H35NO9/c1-6-11-16(3)23(29)34-20-19(15-28)33-25(32-5)22(21(20)35-24(30)17(4)12-7-2)36-26(31)27-18-13-9-8-10-14-18/h6-10,13-14,16-17,19-22,25,28H,1-2,11-12,15H2,3-5H3,(H,27,31)/t16-,17-,19+,20+,21-,22+,25-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)OC)OCC2=CC=CC=C2)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)OC(=O)C4=C(C(=C(C(=C4OC)Cl)OCC5=CC=CC=C5)Cl)C)OCC6=CC=C(C=C6)OC
InChI: InChI=1S/C44H50Cl2O11/c1-26-37(42(50-6)39(46)43(38(26)45)53-25-30-15-11-8-12-16-30)44(47)57-41-28(3)55-36(22-34(41)52-24-31-17-19-32(48-4)20-18-31)56-40-27(2)54-35(49-5)21-33(40)51-23-29-13-9-7-10-14-29/h7-20,27-28,33-36,40-41H,21-25H2,1-6H3/t27-,28-,33-,34-,35-,36+,40-,41-/m1/s1
SMILES: COC(=O)[C@@H]1C[C@@H]2[C@@H]3N1[C@H](C(=N)N3C4=CC=CC=C24)C5=CC=CC=C5
InChI: InChI=1S/C20H19N3O2/c1-25-20(24)16-11-14-13-9-5-6-10-15(13)23-18(21)17(22(16)19(14)23)12-7-3-2-4-8-12/h2-10,14,16-17,19,21H,11H2,1H3/t14-,16-,17-,19+/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)C)C(=O)N(C3=O)C7=CC=C(C=C7)C(=O)C
InChI: InChI=1S/C38H34N2O8/c1-4-48-30-7-5-6-26(34(30)43)31-25-16-17-27-32(37(46)39(35(27)44)23-12-8-21(9-13-23)19(2)41)28(25)18-29-33(31)38(47)40(36(29)45)24-14-10-22(11-15-24)20(3)42/h5-16,27-29,31-33,43H,4,17-18H2,1-3H3/t27-,28+,29+,31+,32-,33+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]([C@](C2)(C)O)C(=C)C3=CC=CC=C3
InChI: InChI=1S/C20H23NO3S/c1-15-9-11-18(12-10-15)25(23,24)21-13-19(20(3,22)14-21)16(2)17-7-5-4-6-8-17/h4-12,19,22H,2,13-14H2,1,3H3/t19-,20+/m0/s1
SMILES: CC1C([C@@H]2C[C@H]3C4=C(C[C@@H]([C@@H]2CO1)N3C)C5=CC=CC=C5N4C)C=O
InChI: InChI=1S/C21H26N2O2/c1-12-16(10-24)14-8-20-21-15(9-19(22(20)2)17(14)11-25-12)13-6-4-5-7-18(13)23(21)3/h4-7,10,12,14,16-17,19-20H,8-9,11H2,1-3H3/t12?,14-,16?,17+,19-,20-/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F
InChI: InChI=1S/C21H18FN5O2/c1-2-29-20(28)27-8-7-15-16(9-23)19(26)21(11-24,12-25)18(17(15)10-27)13-3-5-14(22)6-4-13/h3-7,17-18H,2,8,10,26H2,1H3/t17-,18+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)OCOCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C37H58O8Si3/c1-36(2,3)47(10,11)44-28-15-14-24(18-31(28)45-48(12,13)37(4,5)6)32-25-19-29-30(42-23-41-29)20-26(25)34(27-21-40-35(38)33(27)32)43-22-39-16-17-46(7,8)9/h14-15,18-20,27,32-34H,16-17,21-23H2,1-13H3/t27-,32+,33-,34-/m0/s1
SMILES: CCCC1=CC=C(C=C1)NC(=O)C2=C[C@@H]([C@@H]([C@H](O2)O[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)OC)C(=O)N)O)O
InChI: InChI=1S/C26H32N4O11/c1-3-4-12-5-7-13(8-6-12)28-23(36)15-11-14(31)17(33)25(39-15)41-21(22(27)35)20-19(38-2)18(34)24(40-20)30-10-9-16(32)29-26(30)37/h5-11,14,17-21,24-25,31,33-34H,3-4H2,1-2H3,(H2,27,35)(H,28,36)(H,29,32,37)/t14-,17-,18+,19-,20-,21+,24+,25+/m0/s1
SMILES: CCOC(=O)[C@@]12C[C@@H]1[C@H](CC2=O)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C25H30O4Si/c1-5-28-23(27)25-17-20(25)21(16-22(25)26)29-30(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21H,5,16-17H2,1-4H3/t20-,21+,25+/m1/s1
SMILES: CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C19H22N4O3S/c1-11(24)20-15-6-4-13(5-7-15)18-22-23-19(26-18)27-10-17(25)21-16-9-12-2-3-14(16)8-12/h4-7,12,14,16H,2-3,8-10H2,1H3,(H,20,24)(H,21,25)/t12-,14-,16+/m0/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1CC(=C2[C@H]([C@H]3[C@@H]1[C@](C(=O)O3)(C)OC(=O)C)C(=CC2=O)C)CO
InChI: InChI=1S/C22H26O8/c1-6-10(2)20(26)28-15-8-13(9-23)17-14(25)7-11(3)16(17)19-18(15)22(5,21(27)29-19)30-12(4)24/h6-7,15-16,18-19,23H,8-9H2,1-5H3/b10-6+/t15-,16+,18+,19-,22-/m0/s1
SMILES: CCC(C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@@]([C@H](C2=CO1)O)(C)O)Cl
InChI: InChI=1S/C19H23ClO4/c1-5-11(2)8-12(3)6-7-13-9-14-15(10-24-13)17(21)19(4,23)18(22)16(14)20/h6-11,17,21,23H,5H2,1-4H3/b7-6+,12-8+/t11?,17-,19-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H]2[C@@]([C@H](C1(C)C)CC(=O)OC)(C(=O)[C@@H]3[C@@H]([C@]4([C@@H](OC(=O)[C@H]([C@@]4(C3=C)O2)OC(=O)C)C5=COC=C5)C)O)C)O
InChI: InChI=1S/C31H38O13/c1-13-19-21(36)29(6)17(11-18(34)39-8)28(4,5)24(41-14(2)32)20(35)25(29)44-31(13)26(42-15(3)33)27(38)43-23(16-9-10-40-12-16)30(31,7)22(19)37/h9-10,12,17,19-20,22-26,35,37H,1,11H2,2-8H3/t17-,19+,20-,22-,23-,24-,25-,26+,29-,30-,31+/m0/s1
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)[C@H]3C[C@@H]3C4=CC=CC=C4)C
InChI: InChI=1S/C22H26N2O/c1-16-7-6-10-21(17(16)2)23-11-13-24(14-12-23)22(25)20-15-19(20)18-8-4-3-5-9-18/h3-10,19-20H,11-15H2,1-2H3/t19-,20+/m1/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=CC(=CC=C7)O)C(=O)NC5=O
InChI: InChI=1S/C33H29N3O5/c1-18-10-12-21(13-11-18)35-36-31(40)26-17-25-23(14-15-24-27(25)30(39)34-29(24)38)28(19-6-5-9-22(37)16-19)33(26,32(36)41)20-7-3-2-4-8-20/h2-14,16,24-28,35,37H,15,17H2,1H3,(H,34,38,39)/t24-,25+,26-,27-,28-,33+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H]2C[C@@H]2O[C@H]3[C@@H]1O[Si](OC3)(C(C)(C)C)C(C)(C)C
InChI: InChI=1S/C17H30O5Si/c1-10(18)20-14-11-8-12(11)21-13-9-19-23(16(2,3)4,17(5,6)7)22-15(13)14/h11-15H,8-9H2,1-7H3/t11-,12+,13-,14-,15+/m1/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C19H16N2O4/c22-19(23)12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(21(24)25)8-9-17(16)20-18/h1-2,4-10,14-15,18,20H,3H2,(H,22,23)/t14-,15-,18-/m1/s1
SMILES: C[C@@]1([C@H]2C[C@@H]([C@H]1[Sn](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=C2)CO
InChI: InChI=1S/C9H13O.3C6H5.Sn/c1-9(6-10)5-7-2-3-8(9)4-7;3*1-2-4-6-5-3-1;/h2-3,5,7-8,10H,4,6H2,1H3;3*1-5H;/t7-,8+,9-;;;;/m0..../s1
SMILES: CCC1=CC=C(C=C1)O[C@@H]2[C@@H](OCCO2)OC3=CC=C(C=C3)CC
InChI: InChI=1S/C20H24O4/c1-3-15-5-9-17(10-6-15)23-19-20(22-14-13-21-19)24-18-11-7-16(4-2)8-12-18/h5-12,19-20H,3-4,13-14H2,1-2H3/t19-,20+
SMILES: C[C@@H]1CC(=CCN1C(=O)OCC=C)C2=CSC(=N2)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O[Si](C)(C)C)C(=O)OCC=C
InChI: InChI=1S/C29H39N3O6S2Si/c1-9-13-36-27(34)24-25(18(4)23-22(26(33)32(23)24)19(5)38-41(6,7)8)40-28-30-21(16-39-28)20-11-12-31(17(3)15-20)29(35)37-14-10-2/h9-11,16-19,22-23H,1-2,12-15H2,3-8H3/t17-,18-,19-,22-,23-/m1/s1
SMILES: CN(CC1=CC=CC=C1)C(=O)[C@]2(C[C@H]2CN3CCC(CC3)(C4=CC=CC=C4)C(=O)N5CCCCC5)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C36H42ClN3O2/c1-38(26-28-11-5-2-6-12-28)34(42)36(30-15-17-32(37)18-16-30)25-31(36)27-39-23-19-35(20-24-39,29-13-7-3-8-14-29)33(41)40-21-9-4-10-22-40/h2-3,5-8,11-18,31H,4,9-10,19-27H2,1H3/t31-,36+/m0/s1
SMILES: CC1CN2[C@H]3[C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC2=NC1=O
InChI: InChI=1S/C14H18N2O7/c1-6-4-16-13-11(23-14(16)15-12(6)19)10(21-8(3)18)9(22-13)5-20-7(2)17/h6,9-11,13H,4-5H2,1-3H3/t6?,9-,10-,11+,13-/m1/s1
SMILES: CN1C[C@H]([C@H](C1)C(=O)C2=CC=C(C=C2)F)C3=C(C=CC=C3Cl)F
InChI: InChI=1S/C18H16ClF2NO/c1-22-9-13(17-15(19)3-2-4-16(17)21)14(10-22)18(23)11-5-7-12(20)8-6-11/h2-8,13-14H,9-10H2,1H3/t13-,14+/m1/s1
SMILES: C[C@]12CCC(=O)C[C@H]1C(=O)C=C3[C@@H]2CC[C@]4([C@]3(CC[C@@H]4[C@](C)([C@@H](CCC(C)(C)O)O)O)O)C
InChI: InChI=1S/C27H42O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15,17,19,21-22,30-33H,6-14H2,1-5H3/t17-,19-,21-,22+,24+,25+,26+,27+/m0/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C(F)(F)F)O)O
InChI: InChI=1S/C17H24F3N3O17P2/c18-17(19,20)15(30)22-8-11(28)9(26)5(3-24)38-14(8)39-42(34,35)40-41(32,33)36-4-6-10(27)12(29)13(37-6)23-2-1-7(25)21-16(23)31/h1-2,5-6,8-14,24,26-29H,3-4H2,(H,22,30)(H,32,33)(H,34,35)(H,21,25,31)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1
SMILES: C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1C
InChI: InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC=CC=C6Br)C
InChI: InChI=1S/C28H20BrNO5/c1-14-11-12-16(13-15(14)2)30-26(33)21-22(27(30)34)28(35-23(21)19-9-5-6-10-20(19)29)24(31)17-7-3-4-8-18(17)25(28)32/h3-13,21-23H,1-2H3/t21-,22+,23+/m1/s1
SMILES: C/C/1=C\CC[C@]2([C@@H](O2)CC/C(=C/[C@H]3C(=C(C(=O)O3)C)CC1)/C)CO
InChI: InChI=1S/C20H28O4/c1-13-5-4-10-20(12-21)18(24-20)9-7-14(2)11-17-16(8-6-13)15(3)19(22)23-17/h5,11,17-18,21H,4,6-10,12H2,1-3H3/b13-5+,14-11+/t17-,18-,20+/m0/s1
SMILES: CCOC(=O)[C@@]12C[C@]3(CC[C@@]14C5=CC6=C(C=C5CCCN4C(=O)[C@@H]2O3)OCO6)OCCO
InChI: InChI=1S/C23H27NO8/c1-2-28-20(27)22-12-21(31-9-8-25)5-6-23(22)15-11-17-16(29-13-30-17)10-14(15)4-3-7-24(23)19(26)18(22)32-21/h10-11,18,25H,2-9,12-13H2,1H3/t18-,21+,22-,23+/m0/s1
SMILES: [H][C@]\1([C@@H](C([C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@]2(/C1=N/O)[2H])CC[C@@H]4[C@H](C)CCCC(C)C)C)C)([2H])[2H])OC)[2H]
InChI: InChI=1S/C28H49NO2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-26(29-30)16-20(31-6)17-28(25,5)24(21)14-15-27(22,23)4/h18-25,30H,7-17H2,1-6H3/b29-26+/t19-,20+,21+,22-,23+,24+,25+,27-,28-/m1/s1/i16D,17D2,25D/t16-,19-,20+,21+,22-,23+,24+,25+,27-,28-
SMILES: C[C@@]1(CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@@]1(C)O)OC)OC)OC)OC)OCO3)O
InChI: InChI=1S/C23H28O8/c1-22(24)9-12-7-14(26-3)18(27-4)20(28-5)16(12)17-13(10-23(22,2)25)8-15-19(21(17)29-6)31-11-30-15/h7-8,24-25H,9-11H2,1-6H3/t22-,23+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)I)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H19IO9/c1-6(16)20-5-10-12(21-7(2)17)13(22-8(3)18)11(15)14(24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@]13C=C[C@@]4([C@@H]2CC[C@]5([C@H]4CC[C@@]56CN(C(=O)O6)CCC7=CC=CS7)C)C(=C3)C(=O)C8=CC(=C(C=C8)F)F)O
InChI: InChI=1S/C36H39F2NO4S/c1-32-11-7-23(40)19-34(32)14-15-36(25(20-34)30(41)22-5-6-26(37)27(38)18-22)28(32)8-12-33(2)29(36)9-13-35(33)21-39(31(42)43-35)16-10-24-4-3-17-44-24/h3-6,14-15,17-18,20,23,28-29,40H,7-13,16,19,21H2,1-2H3/t23-,28+,29+,32+,33-,34-,35+,36-/m0/s1
SMILES: CC(C)C[C@@](CC(=O)OCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C(=O)OCC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C34H46O17/c1-17(2)11-34(45,33(44)47-16-19-5-9-21(10-6-19)49-32-30(43)28(41)26(39)23(14-36)51-32)12-24(37)46-15-18-3-7-20(8-4-18)48-31-29(42)27(40)25(38)22(13-35)50-31/h3-10,17,22-23,25-32,35-36,38-43,45H,11-16H2,1-2H3/t22-,23-,25-,26-,27+,28+,29-,30-,31-,32-,34-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)Cl)C(=O)[O-]
InChI: InChI=1S/C13H12ClNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(8)12(15-11)13(16)17/h1-2,4-6,8-9,12,15H,3H2,(H,16,17)/p-1/t8-,9+,12-/m1/s1
SMILES: C1=CC=C(C=C1)COC(=O)C2=NN[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H14N4O6/c24-17-14-15(18(25)22(17)12-7-4-8-13(9-12)23(27)28)20-21-16(14)19(26)29-10-11-5-2-1-3-6-11/h1-9,14-15,20H,10H2/t14-,15-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)[O-])C4=CC(=CC=C4)Cl
InChI: InChI=1S/C19H16ClNO2/c20-13-4-1-3-11(9-13)18-15-6-2-5-14(15)16-10-12(19(22)23)7-8-17(16)21-18/h1-5,7-10,14-15,18,21H,6H2,(H,22,23)/p-1/t14-,15+,18-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O
InChI: InChI=1S/C11H18FNO9/c1-3(15)13-5-7(18)9(12)11(21,10(19)20)22-8(5)6(17)4(16)2-14/h4-9,14,16-18,21H,2H2,1H3,(H,13,15)(H,19,20)/t4-,5-,6-,7-,8-,9?,11+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1CC(=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-14-15-13-16(20)11-12-17(15)22-24(9,10)19(4,5)6/h11-12,15,17H,13-14H2,1-10H3/t15-,17-/m1/s1
SMILES: C1=C(OC=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI: InChI=1S/C10H14NO9P/c11-10(14)4-1-5(18-2-4)9-8(13)7(12)6(20-9)3-19-21(15,16)17/h1-2,6-9,12-13H,3H2,(H2,11,14)(H2,15,16,17)/t6-,7-,8-,9+/m1/s1
SMILES: CC1([C@@H]2C[C@H]1[C@@H]([C@H](C2)NC(=O)[C@@H](C3CCCC3)O)C/C=C\CCCC(=O)O)C
InChI: InChI=1S/C23H37NO4/c1-23(2)16-13-18(23)17(11-5-3-4-6-12-20(25)26)19(14-16)24-22(28)21(27)15-9-7-8-10-15/h3,5,15-19,21,27H,4,6-14H2,1-2H3,(H,24,28)(H,25,26)/b5-3-/t16-,17+,18+,19+,21-/m1/s1
SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)OC(O5)(C)C)C)C)OC(=O)CC(C)C
InChI: InChI=1S/C29H46O5/c1-16(2)12-26(31)32-17(3)19-8-9-20-18-13-23(30)22-14-24-25(34-27(4,5)33-24)15-29(22,7)21(18)10-11-28(19,20)6/h16-22,24-25H,8-15H2,1-7H3/t17-,18+,19-,20+,21+,22-,24+,25-,28-,29-/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)C4=CC=CC=C4CNC(=O)CCCC(=O)O)CN5CCN(CC5)C6=NC=CC=N6
InChI: InChI=1S/C39H45N5O6/c1-27-34(25-43-20-22-44(23-21-43)39-40-18-5-19-41-39)49-38(50-37(27)30-12-10-28(26-45)11-13-30)31-16-14-29(15-17-31)33-7-3-2-6-32(33)24-42-35(46)8-4-9-36(47)48/h2-3,5-7,10-19,27,34,37-38,45H,4,8-9,20-26H2,1H3,(H,42,46)(H,47,48)/t27-,34+,37+,38+/m1/s1
SMILES: CC(=O)OC[C@@H]1C[C@@H]([C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C27H32O8/c1-18(28)31-17-23-14-24(32-15-21-10-6-4-7-11-21)26(33-16-22-12-8-5-9-13-22)27(35-20(3)30)25(23)34-19(2)29/h4-13,23-27H,14-17H2,1-3H3/t23-,24-,25-,26-,27-/m0/s1
SMILES: CCC1=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=CC7=CC=CC=C76)O)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F
InChI: InChI=1S/C44H35ClFN3O5/c1-2-24-7-18-30(19-8-24)48-40(51)33-21-20-32-34(37(33)42(48)53)23-35-41(52)49(47-29-16-14-28(46)15-17-29)43(54)44(35,26-10-12-27(45)13-11-26)39(32)38-31-6-4-3-5-25(31)9-22-36(38)50/h3-20,22,33-35,37,39,47,50H,2,21,23H2,1H3/t33-,34+,35-,37-,39+,44+/m0/s1
SMILES: CCCCCCCCCC[C@H]1[C@](O1)(C(C2=CC=CC=C2)O)[Si](C)(C)C
InChI: InChI=1S/C22H38O2Si/c1-5-6-7-8-9-10-11-15-18-20-22(24-20,25(2,3)4)21(23)19-16-13-12-14-17-19/h12-14,16-17,20-21,23H,5-11,15,18H2,1-4H3/t20-,21?,22+/m0/s1
SMILES: CC1=CC=C(C=C1)CN2CC[C@@]3(CCCC[C@@H]3[C@H]2C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C24H31NO2/c1-18-6-8-19(9-7-18)17-25-16-15-24(26)14-4-3-5-22(24)23(25)20-10-12-21(27-2)13-11-20/h6-13,22-23,26H,3-5,14-17H2,1-2H3/t22-,23-,24-/m1/s1
SMILES: CON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)SC)CCCCO)CCCCO)OCC=C)N(CC6=CC=C(C=C6)F)C(=O)C7CC7
InChI: InChI=1S/C46H55FN2O7S/c1-4-25-54-46-42(49(45(52)31-13-14-31)29-30-11-15-33(47)16-12-30)28-40(48-53-2)38-26-32(9-5-7-23-50)37(10-6-8-24-51)43(44(38)46)39-27-35(19-22-41(39)56-46)55-34-17-20-36(57-3)21-18-34/h4,11-12,15-22,26-27,31-32,37,42-44,50-51H,1,5-10,13-14,23-25,28-29H2,2-3H3/t32-,37+,42-,43+,44+,46+/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C=CC5=CC(=C(C(=C5)OC)O)OC)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl
InChI: InChI=1S/C33H27Cl2F5N2O7/c1-4-9-41-28(44)15-7-6-14-16(20(15)29(41)45)12-32(34)30(46)42(26-24(39)22(37)21(36)23(38)25(26)40)31(47)33(32,35)17(14)8-5-13-10-18(48-2)27(43)19(11-13)49-3/h5-6,8,10-11,15-17,20,43H,4,7,9,12H2,1-3H3/t15-,16+,17-,20-,32+,33-/m0/s1
SMILES: C[C@@H]1C=C(C(=O)C2([C@H]1CC3C4([C@@H]2[C@@H]([C@H]([C@@](C4CC(O3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)O)OC)O)C)C)OC
InChI: InChI=1S/C28H44O12/c1-11-7-13(36-5)23(34)26(2)12(11)8-16-27(3)15(28(4,35)24(37-6)21(33)22(26)27)9-17(39-16)40-25-20(32)19(31)18(30)14(10-29)38-25/h7,11-12,14-22,24-25,29-33,35H,8-10H2,1-6H3/t11-,12+,14-,15?,16?,17?,18-,19+,20-,21+,22-,24-,25+,26?,27?,28+/m1/s1
SMILES: C1O[C@@H]2[C@H](C([C@H]([C@@H](C2OCC3=CC=CC=C3)O1)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5
InChI: InChI=1S/C28H30O6/c29-23-24(30-16-20-10-4-1-5-11-20)26-28(32-18-22-14-8-3-9-15-22)27(34-19-33-26)25(23)31-17-21-12-6-2-7-13-21/h1-15,23-29H,16-19H2/t23?,24-,25+,26+,27-,28?
SMILES: C[C@]12CC[C@@](C[C@H]1C3=CC(=O)[C@H]4[C@]([C@@]3(CC2)C)(CC[C@H]5[C@@]4(CC6=C(C5(C)C)NC7=CC=CC=C67)C)C)(C)C(=O)OC
InChI: InChI=1S/C37H49NO3/c1-32(2)28-13-14-37(7)29(35(28,5)20-23-22-11-9-10-12-26(22)38-30(23)32)27(39)19-24-25-21-34(4,31(40)41-8)16-15-33(25,3)17-18-36(24,37)6/h9-12,19,25,28-29,38H,13-18,20-21H2,1-8H3/t25-,28+,29+,33+,34+,35-,36+,37+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=NOCCN4CCCCC4)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C26H38N2O2/c1-26-13-12-22-21-9-7-20(29-2)18-19(21)6-8-23(22)24(26)10-11-25(26)27-30-17-16-28-14-4-3-5-15-28/h7,9,18,22-24H,3-6,8,10-17H2,1-2H3/t22-,23-,24+,26+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)OC(F)(F)F)O)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)CC6=CC=CS6
InChI: InChI=1S/C27H20BrCl2F3N2O6S/c28-11-35-23(39)25(29)9-17-14(4-5-15-19(17)22(38)34(21(15)37)10-13-2-1-7-42-13)20(26(25,30)24(35)40)16-8-12(3-6-18(16)36)41-27(31,32)33/h1-4,6-8,15,17,19-20,36H,5,9-11H2/t15-,17+,19-,20+,25+,26-/m0/s1
SMILES: CCCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2[C@@H](C3CCC2CC3)N(C)C
InChI: InChI=1S/C23H36N2O3/c1-4-5-6-9-16-27-20-11-8-7-10-19(20)24-23(26)28-22-18-14-12-17(13-15-18)21(22)25(2)3/h7-8,10-11,17-18,21-22H,4-6,9,12-16H2,1-3H3,(H,24,26)/t17?,18?,21-,22+/m1/s1
SMILES: C[C@H]1CC(=O)[C@@H]2[C@H](N3C(=NC(=N3)C(F)(F)F)NC2=C1)C4=CC=CC=C4
InChI: InChI=1S/C17H15F3N4O/c1-9-7-11-13(12(25)8-9)14(10-5-3-2-4-6-10)24-16(21-11)22-15(23-24)17(18,19)20/h2-7,9,13-14H,8H2,1H3,(H,21,22,23)/t9-,13-,14-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@@]23CN(C(=O)O3)CC4=CC=CC=C4)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)CC6=C(C=CC=C6Cl)F)C
InChI: InChI=1S/C38H41ClFNO4/c1-25-8-7-18-37(2)32(17-19-38(37)24-41(36(44)45-38)23-26-9-4-3-5-10-26)29-16-14-27(20-28(42)15-13-25)21-30(29)35(43)22-31-33(39)11-6-12-34(31)40/h3-6,8-12,14,16,21,28,32,42H,7,13,15,17-20,22-24H2,1-2H3/t28-,32-,37-,38+/m0/s1
SMILES: C[C@@H]1C[C@H]([C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@]46CC[C@](C5(C)C)(OC6)O)C)[C@@H]2[C@H]1C)C)C(=O)O)OC(=O)C
InChI: InChI=1S/C32H48O6/c1-18-16-24(38-20(3)33)31(26(34)35)14-12-28(6)21(25(31)19(18)2)8-9-23-29(28,7)11-10-22-27(4,5)32(36)15-13-30(22,23)17-37-32/h8,18-19,22-25,36H,9-17H2,1-7H3,(H,34,35)/t18-,19+,22+,23+,24-,25+,28-,29-,30-,31-,32-/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)N
InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6+,7-,10+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@H](CO[Si](C)(C)C(C)(C)C)O)C2=CC=CC=C2)C
InChI: InChI=1S/C19H32O4Si/c1-18(2,3)24(6,7)21-13-15(20)17-16(22-19(4,5)23-17)14-11-9-8-10-12-14/h8-12,15-17,20H,13H2,1-7H3/t15-,16-,17-/m0/s1
SMILES: C1=CC=C2C(=C1)[C@@H]3[C@@H]([C@H]([C@H]3C(=O)O)C(=O)O)C4=CC=CC=C4C2=O
InChI: InChI=1S/C19H14O5/c20-17-11-7-3-1-5-9(11)13-14(10-6-2-4-8-12(10)17)16(19(23)24)15(13)18(21)22/h1-8,13-16H,(H,21,22)(H,23,24)/t13-,14+,15+,16-
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)O)C.[Na]
InChI: InChI=1S/C20H24N2O7S.Na/c1-20(2)16(19(25)26)22-17(24)14(18(22)30-20)21-13(23)7-6-10-8-11(27-3)15(29-5)12(9-10)28-4;/h6-9,14,16,18H,1-5H3,(H,21,23)(H,25,26);/t14-,16+,18-;/m1./s1
SMILES: C[C@]12[C@H]([C@@H](N3N1CCC3)C4=CC=CC=C4)C(=O)N(C2=O)C5=CC=CC=C5
InChI: InChI=1S/C21H21N3O2/c1-21-17(19(25)24(20(21)26)16-11-6-3-7-12-16)18(15-9-4-2-5-10-15)22-13-8-14-23(21)22/h2-7,9-12,17-18H,8,13-14H2,1H3/t17-,18+,21-/m1/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(CC[C@@H](C4)O)C)C)O
InChI: InChI=1S/C27H44O4/c1-17(7-6-11-24(2,3)30)19-10-14-27(31)21-16-23(29)22-15-18(28)8-12-25(22,4)20(21)9-13-26(19,27)5/h16-20,22,28,30-31H,6-15H2,1-5H3/t17-,18+,19-,20+,22+,25-,26-,27-/m1/s1
SMILES: C1[C@H]2CC(C[C@@H]([C@H]1OC(=O)C3=CC=CC=C3)N2)OC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI: InChI=1S/C27H25F2NO3/c28-20-10-6-17(7-11-20)26(18-8-12-21(29)13-9-18)32-23-14-22-15-25(24(16-23)30-22)33-27(31)19-4-2-1-3-5-19/h1-13,22-26,30H,14-16H2/t22-,23?,24+,25+/m1/s1
SMILES: C[C@@H](C(=O)N[C@H]1[C@H](OC2=CC=CC=C2N(C1=O)C(C)C)C3=CC=CC=C3)NC(=O)CC4=CC(=CC(=C4)F)F
InChI: InChI=1S/C29H29F2N3O4/c1-17(2)34-23-11-7-8-12-24(23)38-27(20-9-5-4-6-10-20)26(29(34)37)33-28(36)18(3)32-25(35)15-19-13-21(30)16-22(31)14-19/h4-14,16-18,26-27H,15H2,1-3H3,(H,32,35)(H,33,36)/t18-,26-,27+/m0/s1
SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)[C@H]4[C@H](N(O[C@H]4C3=O)C5=CC=CC=C5)C6=CC=C(C=C6)F
InChI: InChI=1S/C27H24FN3O4/c28-19-8-6-18(7-9-19)24-23-25(35-31(24)22-4-2-1-3-5-22)27(33)30(26(23)32)21-12-10-20(11-13-21)29-14-16-34-17-15-29/h1-13,23-25H,14-17H2/t23-,24+,25+/m0/s1
SMILES: CC(C)OC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=C(C(=C(S2)Cl)Cl)Cl)O)O)O
InChI: InChI=1S/C24H33Cl3O5S/c1-14(2)32-21(31)8-6-4-3-5-7-16-17(19(30)13-18(16)29)11-9-15(28)10-12-20-22(25)23(26)24(27)33-20/h3,5,9,11,14-19,28-30H,4,6-8,10,12-13H2,1-2H3/b5-3+,11-9+/t15-,16-,17-,18+,19-/m1/s1
SMILES: CC[C@@]12CC[C@H]([C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)O)O3)CC6CC6)O
InChI: InChI=1S/C22H29NO3/c1-2-21-8-7-16(25)20-22(21)9-10-23(12-13-3-4-13)17(21)11-14-5-6-15(24)19(26-20)18(14)22/h5-6,13,16-17,20,24-25H,2-4,7-12H2,1H3/t16-,17-,20+,21+,22+/m1/s1
SMILES: CCCCCC/C=C\[C@H]([C@H]1[C@H](O1)C)OC(=O)[C@](C2=CC=CC=C2)(C(F)(F)F)OC
InChI: InChI=1S/C22H29F3O4/c1-4-5-6-7-8-12-15-18(19-16(2)28-19)29-20(26)21(27-3,22(23,24)25)17-13-10-9-11-14-17/h9-16,18-19H,4-8H2,1-3H3/b15-12-/t16-,18-,19-,21-/m1/s1
SMILES: C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C(=O)NC
InChI: InChI=1S/C16H22N4O3/c1-16-7-8-20(14(21)17-2)13(16)19(4)12-6-5-10(9-11(12)16)23-15(22)18-3/h5-6,9,13H,7-8H2,1-4H3,(H,17,21)(H,18,22)/t13-,16-/m0/s1
SMILES: [2H]C([2H])(C=C)[N@@+]12CCC[C@@H]1C3=CC=CC=C3[C@](C2)(C4=CC=C(C=C4)SC)O
InChI: InChI=1S/C22H26NOS/c1-3-14-23-15-6-9-21(23)19-7-4-5-8-20(19)22(24,16-23)17-10-12-18(25-2)13-11-17/h3-5,7-8,10-13,21,24H,1,6,9,14-16H2,2H3/q+1/t21-,22+,23+/m1/s1/i14D2
SMILES: CC/C=C\C[C@@H]1[C@H](CCC12OCCO2)CCOCCOCC(=O)OC(C)(C)C
InChI: InChI=1S/C22H38O6/c1-5-6-7-8-19-18(9-11-22(19)26-15-16-27-22)10-12-24-13-14-25-17-20(23)28-21(2,3)4/h6-7,18-19H,5,8-17H2,1-4H3/b7-6-/t18-,19-/m1/s1
SMILES: CCC1=CC=C(C=C1)CN2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)N=N2
InChI: InChI=1S/C19H17FN4O2/c1-2-12-3-5-13(6-4-12)11-23-17-16(21-22-23)18(25)24(19(17)26)15-9-7-14(20)8-10-15/h3-10,16-17H,2,11H2,1H3/t16-,17+/m0/s1
SMILES: CCC1=CN(C(=O)NC1=O)[C@H]2[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
InChI: InChI=1S/C32H28N2O9/c1-2-20-18-34(32(39)33-27(20)35)28-26(43-31(38)23-16-10-5-11-17-23)25(42-30(37)22-14-8-4-9-15-22)24(41-28)19-40-29(36)21-12-6-3-7-13-21/h3-18,24-26,28H,2,19H2,1H3,(H,33,35,39)/t24-,25-,26-,28-/m1/s1
SMILES: C[C@@H]1CN(C[C@@H](O1)C)[C@H]2C[C@]3([C@@H](CC[C@@H]4[C@@H]3C(=O)C[C@]5([C@H]4CC[C@@H]5C6(OCCO6)C)C)C[C@@H]2O)C
InChI: InChI=1S/C29H47NO5/c1-17-15-30(16-18(2)35-17)22-13-27(3)19(12-23(22)31)6-7-20-21-8-9-25(29(5)33-10-11-34-29)28(21,4)14-24(32)26(20)27/h17-23,25-26,31H,6-16H2,1-5H3/t17-,18+,19-,20-,21-,22-,23-,25-,26+,27-,28-/m0/s1
SMILES: COC1=CC(=CC2=C1OCO2)C([C@@H]3COC(=O)[C@@H]3CO)C4=CC(=C(C(=C4)OC)OC)OC
InChI: InChI=1S/C23H26O9/c1-26-16-5-12(6-17(27-2)21(16)29-4)20(15-10-30-23(25)14(15)9-24)13-7-18(28-3)22-19(8-13)31-11-32-22/h5-8,14-15,20,24H,9-11H2,1-4H3/t14-,15-,20?/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@@H]2CS[C@@H](N2C(=O)C)C3=CC=CO3
InChI: InChI=1S/C19H26N2O5S/c1-12-6-3-4-7-14(12)20-17(23)10-26-19(24)15-11-27-18(21(15)13(2)22)16-8-5-9-25-16/h5,8-9,12,14-15,18H,3-4,6-7,10-11H2,1-2H3,(H,20,23)/t12-,14+,15+,18-/m1/s1
SMILES: CC1=C(N2C(=O)C3=C(N(C2=N1)C)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C21H25N5O8/c1-9-10(2)26-19(30)15-18(24(6)21(26)23-9)25(8-22-15)20-17(33-13(5)29)16(32-12(4)28)14(34-20)7-31-11(3)27/h8,14,16-17,20H,7H2,1-6H3/t14-,16-,17-,20-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@@H]2CC(=O)N(C2)C3CCCC3
InChI: InChI=1S/C19H30N2O4/c1-13-6-2-5-9-16(13)20-17(22)12-25-19(24)14-10-18(23)21(11-14)15-7-3-4-8-15/h13-16H,2-12H2,1H3,(H,20,22)/t13-,14+,16-/m0/s1
SMILES: C1=CC=C(C(=C1)CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C14H18O8/c15-6-9-11(18)12(19)13(20)14(22-9)21-8-4-2-1-3-7(8)5-10(16)17/h1-4,9,11-15,18-20H,5-6H2,(H,16,17)/t9-,11-,12+,13-,14-/m1/s1
SMILES: CC(C)C(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)CC3=CC=CC=C3Cl
InChI: InChI=1S/C16H19ClN2O3S2/c1-10(2)15(20)18-16-19(7-11-5-3-4-6-12(11)17)13-8-24(21,22)9-14(13)23-16/h3-6,10,13-14H,7-9H2,1-2H3/t13-,14+/m1/s1