EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC(=C5)Cl)O)C6=CC=C(C=C6)Cl)NC7=CC=C(C=C7)F
InChI: InChI=1S/C34H26Cl2FN3O7/c1-47-33(46)39-29(42)22-12-11-21-23(27(22)31(39)44)15-25-30(43)40(38-20-9-7-19(37)8-10-20)32(45)34(25,16-2-4-17(35)5-3-16)28(21)24-14-18(36)6-13-26(24)41/h2-11,13-14,22-23,25,27-28,38,41H,12,15H2,1H3/t22-,23+,25-,27-,28+,34+/m0/s1
SMILES: CCC1=CC=CC=C1NCN2C(=O)[C@@H]3[C@@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C27H24N2O2/c1-2-16-9-3-8-14-21(16)28-15-29-26(30)24-22-17-10-4-5-11-18(17)23(25(24)27(29)31)20-13-7-6-12-19(20)22/h3-14,22-25,28H,2,15H2,1H3/t22?,23?,24-,25-/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)C3=CC(=CC4=C3N2CC4)C5=C(C=C(C=C5)OC)C(F)(F)F
InChI: InChI=1S/C26H29F3N2O3/c1-25(2,3)34-24(32)30-9-8-22-20(14-30)19-12-16(11-15-7-10-31(22)23(15)19)18-6-5-17(33-4)13-21(18)26(27,28)29/h5-6,11-13,20,22H,7-10,14H2,1-4H3/t20-,22-/m1/s1
SMILES: C[C@H](CCCS(=O)(=O)C(C)(C)C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
InChI: InChI=1S/C28H44O4S/c1-19(9-8-16-33(31,32)27(3,4)5)24-13-14-25-21(10-7-15-28(24,25)6)11-12-22-17-23(29)18-26(30)20(22)2/h11-13,19,23,25-26,29-30H,2,7-10,14-18H2,1,3-6H3/b21-11+,22-12-/t19-,23+,25+,26-,28-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)COC(C)C
InChI: InChI=1S/C22H33NO4/c1-14(2)26-13-18-9-11-19(12-10-18)22(25)27-17(5)21(24)23-20-8-6-7-15(3)16(20)4/h9-12,14-17,20H,6-8,13H2,1-5H3,(H,23,24)/t15-,16-,17-,20+/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)CSC5=CC=CC=[N+]5[O-]
InChI: InChI=1S/C36H38N2O7S/c1-24-31(23-46-33-10-4-5-20-38(33)43)44-36(45-35(24)27-14-12-25(22-39)13-15-27)28-18-16-26(17-19-28)30-8-3-2-7-29(30)21-37-32(40)9-6-11-34(41)42/h2-5,7-8,10,12-20,24,31,35-36,39H,6,9,11,21-23H2,1H3,(H,37,40)(H,41,42)/t24-,31+,35+,36+/m0/s1
SMILES: C[C@@]12CCCC[C@H]1CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@]4(C[NH2+]CCO)O)C
InChI: InChI=1S/C22H39NO2/c1-20-10-4-3-5-16(20)6-7-17-18(20)8-11-21(2)19(17)9-12-22(21,25)15-23-13-14-24/h16-19,23-25H,3-15H2,1-2H3/p+1/t16-,17-,18-,19+,20+,21-,22-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3
InChI: InChI=1S/C16H23NO4S/c1-11-4-3-5-14(12(11)2)17-22(18,19)13-6-7-15-16(10-13)21-9-8-20-15/h6-7,10-12,14,17H,3-5,8-9H2,1-2H3/t11-,12-,14-/m1/s1
SMILES: CC[C@@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)[C@@H]2C[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C23H29NO4S/c1-4-17(3)24(23(25)22-15-21(22)19-9-7-6-8-10-19)16-18-11-13-20(14-12-18)28-29(26,27)5-2/h6-14,17,21-22H,4-5,15-16H2,1-3H3/t17-,21+,22-/m1/s1
SMILES: COC1=C(C(=C2C(=C1)CC[C@H](C3=CC(=O)C([C@@H]4[C@@]32C4)(OC)OC)O)OC)OC
InChI: InChI=1S/C21H26O7/c1-24-14-8-11-6-7-13(22)12-9-16(23)21(27-4,28-5)15-10-20(12,15)17(11)19(26-3)18(14)25-2/h8-9,13,15,22H,6-7,10H2,1-5H3/t13-,15+,20-/m1/s1
SMILES: CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]
InChI: InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/t14-,18-/m1/s1
SMILES: CC1=NC(=NN1C2=CC=C(C=C2)F)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C35H28FN3O7/c1-22-37-32(38-39(22)27-19-17-26(36)18-20-27)31-30(46-35(42)25-15-9-4-10-16-25)29(45-34(41)24-13-7-3-8-14-24)28(44-31)21-43-33(40)23-11-5-2-6-12-23/h2-20,28-31H,21H2,1H3/t28-,29-,30-,31-/m1/s1
SMILES: CCC#C[C@]1([C@H](O[C@H]2[C@@H]1OC(O2)(C)C)COC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C19H22O6/c1-4-5-11-19(21)14(23-17-15(19)24-18(2,3)25-17)12-22-16(20)13-9-7-6-8-10-13/h6-10,14-15,17,21H,4,12H2,1-3H3/t14-,15+,17-,19-/m1/s1
SMILES: C[C@]12CCC[C@]([C@H]1CCC3=CC=CC=C3)(CC2=O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C24H28O2/c1-23-15-6-16-24(17-22(23)25,19-10-12-20(26-2)13-11-19)21(23)14-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,21H,6,9,14-17H2,1-2H3/t21-,23-,24-/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CN(C)CC3=CC4=C(C=C3)OCCO4
InChI: InChI=1S/C20H27N3O4/c1-14-5-3-4-8-20(14)18(24)23(19(25)21-20)13-22(2)12-15-6-7-16-17(11-15)27-10-9-26-16/h6-7,11,14H,3-5,8-10,12-13H2,1-2H3,(H,21,25)/t14-,20-/m0/s1
SMILES: CC(C)CC(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C
InChI: InChI=1S/C21H24O7/c1-11(2)10-16(24)27-19-17-14(28-21(4,5)20(19)25-12(3)22)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3/t19-,20-/m1/s1
SMILES: C[C@@H]1CC(=O)[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](C6)OC(=O)C)C)C)C)OC1
InChI: InChI=1S/C29H42O5/c1-16-12-25(31)29(32-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(33-18(3)30)8-10-27(19,4)22(21)9-11-28(23,26)5/h6,16-17,20-24,26H,7-15H2,1-5H3/t16-,17+,20+,21-,22+,23+,24+,26+,27+,28+,29+/m1/s1
SMILES: CN1[C@@H]2C=C[C@H](C1=S)[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC=C4
InChI: InChI=1S/C16H14N2O2S/c1-17-11-8-7-10(16(17)21)12-13(11)15(20)18(14(12)19)9-5-3-2-4-6-9/h2-8,10-13H,1H3/t10-,11+,12+,13-/m0/s1
SMILES: CC1CCCC1C(=O)O[C@]2(CCC3=C([C@@H]2C(C)C)C=CC(=C3)F)CCNCCCC4=NC5=CC=CC=C5N4
InChI: InChI=1S/C32H42FN3O2/c1-21(2)30-26-14-13-24(33)20-23(26)15-16-32(30,38-31(37)25-9-6-8-22(25)3)17-19-34-18-7-12-29-35-27-10-4-5-11-28(27)36-29/h4-5,10-11,13-14,20-22,25,30,34H,6-9,12,15-19H2,1-3H3,(H,35,36)/t22?,25?,30-,32+/m0/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@H](O1)OC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3)O)O)O
InChI: InChI=1S/C18H16O7/c19-13-8-23-18(16(21)15(13)20)24-9-5-6-11-10-3-1-2-4-12(10)17(22)25-14(11)7-9/h1-7,13,15-16,18-21H,8H2/t13-,15-,16+,18-/m1/s1
SMILES: CN1[C@H]([C@H]2[C@@H](O1)CC[P@]2(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI: InChI=1S/C18H19FNO2P/c1-20-17(13-7-9-14(19)10-8-13)18-16(22-20)11-12-23(18,21)15-5-3-2-4-6-15/h2-10,16-18H,11-12H2,1H3/t16-,17-,18+,23-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)[15NH]C2=O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H18N2O9/c1-7(18)23-6-10-12(24-8(2)19)13(25-9(3)20)14(26-10)17-5-4-11(21)16-15(17)22/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,22)/t10-,12-,13-,14-/m1/s1/i16+1
SMILES: CC1=NN(C(=C1)NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)C4=CC=CC=C4
InChI: InChI=1S/C21H25N3O3/c1-14-9-19(24(23-14)18-5-3-2-4-6-18)22-20(25)13-27-21(26)12-17-11-15-7-8-16(17)10-15/h2-6,9,15-17H,7-8,10-13H2,1H3,(H,22,25)/t15-,16+,17-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)CCC5=NC6=CC(=C(C=C6N(C5=O)C)OC)OC)[C@@H]1C7=CC(=C(C=C7)O)F)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C38H35FN6O8/c1-38-23(33(47)44(35(38)49)21-8-6-5-7-9-21)17-27-22(32(38)20-10-11-29(46)24(39)16-20)12-15-43-36(50)42(37(51)45(27)43)14-13-25-34(48)41(2)28-19-31(53-4)30(52-3)18-26(28)40-25/h5-12,16,18-19,23,27,32,46H,13-15,17H2,1-4H3/t23-,27+,32-,38+/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1([C@H](CC3=O)O)O)C)OC(=O)C2CN4CCOCC4
InChI: InChI=1S/C19H29NO6/c1-11-3-4-12-13(10-20-5-7-25-8-6-20)17(23)26-16(12)18(2)14(21)9-15(22)19(11,18)24/h11-13,15-16,22,24H,3-10H2,1-2H3/t11-,12-,13?,15-,16+,18-,19-/m0/s1
SMILES: C1CC2CCC1[C@@H]([C@H]2C(=O)O)C(=O)N3CCN(CC3)CCC4=CC=CC=C4
InChI: InChI=1S/C22H30N2O3/c25-21(19-17-6-8-18(9-7-17)20(19)22(26)27)24-14-12-23(13-15-24)11-10-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,26,27)/t17?,18?,19-,20-/m0/s1
SMILES: CC(=O)N[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C23H35NO3/c1-14(25)24-21-8-7-19-18-6-5-16-13-17(27-15(2)26)9-11-22(16,3)20(18)10-12-23(19,21)4/h5,17-21H,6-13H2,1-4H3,(H,24,25)/t17-,18-,19+,20+,21-,22-,23-/m0/s1
SMILES: C=CCCOC(=O)N(CCOCCO)[C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCSC6=CC=CC=C6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C51H66N2O10S/c1-3-5-29-60-50(57)53(24-30-58-31-27-56)47-36-45(52-62-37-38-16-8-6-9-17-38)43-34-39(18-12-14-25-54)42(21-13-15-26-55)48-44-35-40(59-32-33-64-41-19-10-7-11-20-41)22-23-46(44)63-51(47,49(43)48)61-28-4-2/h3-4,6-11,16-17,19-20,22-23,34-35,39,42,47-49,54-56H,1-2,5,12-15,18,21,24-33,36-37H2/t39-,42+,47-,48+,49+,51+/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C([C@@H]2COC[C@H]2CC3=CC4=C(C=C3)OCO4)SC5=CC=CC=C5
InChI: InChI=1S/C28H30O6S/c1-29-25-13-19(14-26(30-2)27(25)31-3)28(35-21-7-5-4-6-8-21)22-16-32-15-20(22)11-18-9-10-23-24(12-18)34-17-33-23/h4-10,12-14,20,22,28H,11,15-17H2,1-3H3/t20-,22-,28?/m1/s1
SMILES: COC1=CC2=C(C=C1)[C@@H]3C[C@H]4[C@H](CCCN4S(=O)(=O)C)C(=O)N3CC2
InChI: InChI=1S/C18H24N2O4S/c1-24-13-5-6-14-12(10-13)7-9-19-16(14)11-17-15(18(19)21)4-3-8-20(17)25(2,22)23/h5-6,10,15-17H,3-4,7-9,11H2,1-2H3/t15-,16-,17-/m0/s1
SMILES: CC(C)(C)C1=CC=CC=C1N2C(=O)[C@@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)O
InChI: InChI=1S/C28H25NO3/c1-27(2,3)20-14-8-9-15-21(20)29-25(30)23-22-16-10-4-6-12-18(16)28(32,24(23)26(29)31)19-13-7-5-11-17(19)22/h4-15,22-24,32H,1-3H3/t22?,23-,24+,28?/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)N(C)C4=CC=CC=C4)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
InChI: InChI=1S/C26H34N2O2/c1-25-15-13-20-18(9-12-22-26(20,2)16-14-23(29)27-22)19(25)10-11-21(25)24(30)28(3)17-7-5-4-6-8-17/h4-8,14,16,18-22H,9-13,15H2,1-3H3,(H,27,29)/t18-,19-,20-,21+,22+,25-,26+/m0/s1
SMILES: C[C@@H]([C@H]1C=C[C@H]([C@H](O1)C(=O)OCC(Cl)(Cl)Cl)COCC2=CC=C(C=C2)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H37Cl3O6Si/c1-17(34-35(6,7)24(2,3)4)21-13-10-19(22(33-21)23(29)32-16-25(26,27)28)15-31-14-18-8-11-20(30-5)12-9-18/h8-13,17,19,21-22H,14-16H2,1-7H3/t17-,19-,21+,22-/m0/s1
SMILES: C1[C@H]([C@H](CN1C(=O)[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=C(O4)C#N)O)O)O
InChI: InChI=1S/C22H22N4O6/c23-9-13-7-14-19(32-13)8-16(24-14)21(30)25-15(6-12-4-2-1-3-5-12)20(29)22(31)26-10-17(27)18(28)11-26/h1-5,7-8,15,17-18,20,24,27-29H,6,10-11H2,(H,25,30)/t15-,17-,18+,20+/m0/s1
SMILES: C[Si](C)(C)C#C[C@]12[C@H](CC(=O)O1)C(=C[C@H]3[C@@H]2OC4(O3)CCCCC4)CBr
InChI: InChI=1S/C20H27BrO4Si/c1-26(2,3)10-9-20-15(12-17(22)24-20)14(13-21)11-16-18(20)25-19(23-16)7-5-4-6-8-19/h11,15-16,18H,4-8,12-13H2,1-3H3/t15-,16+,18+,20-/m1/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=NC=CS4
InChI: InChI=1S/C13H12N2O2S/c16-11-9-7-1-2-8(4-3-7)10(9)12(17)15(11)13-14-5-6-18-13/h1-2,5-10H,3-4H2/t7-,8+,9+,10-
SMILES: COC(=O)C[C@H]1CC[C@H]2[C@H](O1)[C@H]3[C@H]4[C@@H](O2)[C@@H]5[C@H](O4)C[C@@](O5)(O3)COCC6=CC=CC=C6
InChI: InChI=1S/C23H28O8/c1-25-17(24)9-14-7-8-15-18(27-14)22-21-20(28-15)19-16(29-21)10-23(30-19,31-22)12-26-11-13-5-3-2-4-6-13/h2-6,14-16,18-22H,7-12H2,1H3/t14-,15+,16-,18+,19+,20+,21-,22+,23-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=CC#N)CO)O
InChI: InChI=1S/C12H13N3O5/c13-3-1-2-7-5-15(12(19)14-11(7)18)10-4-8(17)9(6-16)20-10/h1-2,5,8-10,16-17H,4,6H2,(H,14,18,19)/t8-,9+,10+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=CC=CC=C3C(=O)C
InChI: InChI=1S/C21H25N3O6/c1-13-7-5-6-10-21(13)19(28)24(20(29)23-21)11-18(27)30-12-17(26)22-16-9-4-3-8-15(16)14(2)25/h3-4,8-9,13H,5-7,10-12H2,1-2H3,(H,22,26)(H,23,29)/t13-,21-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]2([C@@H]3[C@H](C1)[C@@H]4[C@H]2[C@@H]4[C@H]3OC(=O)C5=CC=CC=C5)C(=O)OC
InChI: InChI=1S/C26H36O5Si/c1-25(2,3)32(5,6)31-16-12-13-26(24(28)29-4)20-17(14-16)18-19(21(18)26)22(20)30-23(27)15-10-8-7-9-11-15/h7-11,16-22H,12-14H2,1-6H3/t16-,17-,18+,19-,20-,21+,22-,26+/m1/s1
SMILES: CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=C(NC4=CC=CC2=C34)C(=O)OCC5=CC=CC=C5)N(C1)C
InChI: InChI=1S/C28H34N4O3/c1-4-32(5-2)28(34)29-19-14-21-20-12-9-13-23-25(20)22(15-24(21)31(3)16-19)26(30-23)27(33)35-17-18-10-7-6-8-11-18/h6-13,19,21,24,30H,4-5,14-17H2,1-3H3,(H,29,34)/t19-,21+,24+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1C(=O)C=C3[C@@H]2CC[C@]4([C@]3(CC[C@@H]4[C@](C)(C#C)O)O)C)O
InChI: InChI=1S/C23H32O4/c1-5-22(4,26)19-8-11-23(27)16-13-18(25)17-12-14(24)6-9-20(17,2)15(16)7-10-21(19,23)3/h1,13-15,17,19,24,26-27H,6-12H2,2-4H3/t14-,15-,17-,19-,20+,21+,22-,23+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5
InChI: InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17-,18+,20+,21+,22+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=S)NNC(=O)CC2=C(N3C(=NC=N3)N=C2C)C
InChI: InChI=1S/C18H27N7OS/c1-10-6-5-7-15(11(10)2)22-18(27)24-23-16(26)8-14-12(3)21-17-19-9-20-25(17)13(14)4/h9-11,15H,5-8H2,1-4H3,(H,23,26)(H2,22,24,27)/t10-,11+,15-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C)OC(=O)C
InChI: InChI=1S/C32H47NO18/c1-14(34)33-22-19(43-16(3)36)11-32(29(39)40-10,50-25(22)23(45-18(5)38)20(44-17(4)37)12-41-15(2)35)42-13-21-24-26(48-30(6,7)47-24)27-28(46-21)51-31(8,9)49-27/h19-28H,11-13H2,1-10H3,(H,33,34)/t19-,20+,21+,22+,23-,24-,25+,26-,27+,28+,32+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)CCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI: InChI=1S/C39H50N2O9/c1-27(42)40-34-32(22-14-21-31(37(43)44)41-38(45)50-39(2,3)4)49-33(26-46-23-28-15-8-5-9-16-28)35(47-24-29-17-10-6-11-18-29)36(34)48-25-30-19-12-7-13-20-30/h5-13,15-20,31-36H,14,21-26H2,1-4H3,(H,40,42)(H,41,45)(H,43,44)/t31-,32-,33+,34+,35+,36+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)OC)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C19H25N3O10/c1-9(23)20-15-17(31-12(4)26)16(30-11(3)25)13(8-29-10(2)24)32-18(15)22-7-6-14(28-5)21-19(22)27/h6-7,13,15-18H,8H2,1-5H3,(H,20,23)/t13-,15-,16-,17-,18-/m1/s1
SMILES: CC[Si](CC)(CC)C1=C[C@H](O[C@H]2C[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CC=C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O[C@@H]2C1)CCO
InChI: InChI=1S/C37H52O6Si/c1-5-15-31-35(39-25-27-16-11-9-12-17-27)37(40-26-28-18-13-10-14-19-28)36-34(42-31)24-33-32(43-36)23-30(22-29(41-33)20-21-38)44(6-2,7-3)8-4/h5,9-14,16-19,22,29,31-38H,1,6-8,15,20-21,23-26H2,2-4H3/t29-,31+,32-,33+,34-,35+,36-,37-/m1/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(=C(C=C5)F)F
InChI: InChI=1S/C23H16F2N2O3/c24-17-12-11-14(13-18(17)25)20-19-21(30-27(20)16-9-5-2-6-10-16)23(29)26(22(19)28)15-7-3-1-4-8-15/h1-13,19-21H/t19-,20-,21-/m1/s1
SMILES: CCC(=O)O[C@@H]1C2=C([C@H](C[C@](C2(C)C)([C@H]([C@H]3[C@](C1=O)([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)C)OC(=O)C5=CC(=CC=C5)N=[N+]=[N-])O)OC(=O)[C@@H]([C@H](C(F)(F)F)NC(=O)OC(C)(C)C)O)C
InChI: InChI=1S/C41H51F3N4O15/c1-10-25(51)60-28-26-18(2)22(59-34(55)27(52)30(41(42,43)44)46-35(56)63-36(4,5)6)16-40(57,37(26,7)8)32(61-33(54)20-12-11-13-21(14-20)47-48-45)29-38(9,31(28)53)23(50)15-24-39(29,17-58-24)62-19(3)49/h11-14,22-24,27-30,32,50,52,57H,10,15-17H2,1-9H3,(H,46,56)/t22-,23-,24+,27+,28+,29-,30+,32-,38+,39-,40+/m0/s1
SMILES: C1[C@@H]2[C@H]3[C@H]([C@H]1[C@@H]([C@@H]2O)Br)C(=O)N(C3=O)CC4=CC=CC=C4
InChI: InChI=1S/C16H16BrNO3/c17-13-9-6-10(14(13)19)12-11(9)15(20)18(16(12)21)7-8-4-2-1-3-5-8/h1-5,9-14,19H,6-7H2/t9-,10+,11-,12-,13-,14+/m0/s1
SMILES: C[C@@H]1COC(O[C@@H]1CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC.[I-]
InChI: InChI=1S/C33H36O3P.HI/c1-26-25-35-33(27-20-22-28(34-2)23-21-27)36-32(26)19-12-24-37(29-13-6-3-7-14-29,30-15-8-4-9-16-30)31-17-10-5-11-18-31;/h3-11,13-18,20-23,26,32-33H,12,19,24-25H2,1-2H3;1H/q+1;/p-1/t26-,32-,33?;/m1./s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C(C=CC=C23)C4=CC=CC=C4)C5=CC=CC=C5[N+](=O)[O-]
InChI: InChI=1S/C24H20N2O2/c27-26(28)22-15-5-4-10-21(22)24-20-14-7-12-18(20)19-13-6-11-17(23(19)25-24)16-8-2-1-3-9-16/h1-13,15,18,20,24-25H,14H2/t18-,20-,24+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=CC(=C2)C)C
InChI: InChI=1S/C19H27NO3/c1-12-9-13(2)11-16(10-12)19(22)23-15(4)18(21)20-17-8-6-5-7-14(17)3/h9-11,14-15,17H,5-8H2,1-4H3,(H,20,21)/t14-,15+,17+/m0/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2C(=O)N(C4=O)C5=CC=CC=C5)SC6=C([C@@H]3C7=CC=C(C=C7)O)SC(=O)N6
InChI: InChI=1S/C25H20N2O4S2/c28-13-8-6-11(7-9-13)16-17-14-10-15(20(17)32-22-21(16)33-25(31)26-22)19-18(14)23(29)27(24(19)30)12-4-2-1-3-5-12/h1-9,14-20,28H,10H2,(H,26,31)/t14-,15-,16-,17-,18-,19+,20-/m1/s1
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H]3[C@@H]4C(=O)O[C@H]([C@H](N4[C@H]([C@@]35C6=C(C=CC(=C6)C#CCN7C8=CC=CC=C8N=N7)NC5=O)C9=CC=C(C=C9)OCCO)C1=CC=CC=C1)C1=CC=CC=C1)OC
InChI: InChI=1S/C55H48N6O8/c1-66-45-31-38-25-27-59(33-39(38)32-46(45)67-2)52(63)47-49-53(64)69-50(36-15-7-4-8-16-36)48(35-13-5-3-6-14-35)61(49)51(37-20-22-40(23-21-37)68-29-28-62)55(47)41-30-34(19-24-42(41)56-54(55)65)12-11-26-60-44-18-10-9-17-43(44)57-58-60/h3-10,13-24,30-32,47-51,62H,25-29,33H2,1-2H3,(H,56,65)/t47-,48-,49-,50+,51+,55-/m1/s1
SMILES: CC1(C(=O)[C@@H]([C@@H](OC1=O)C2=CC=C(C=C2)F)CC(=O)OC)C
InChI: InChI=1S/C16H17FO5/c1-16(2)14(19)11(8-12(18)21-3)13(22-15(16)20)9-4-6-10(17)7-5-9/h4-7,11,13H,8H2,1-3H3/t11-,13+/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)[C@@H]2[C@H]3CCCCC=C3C(=C(C2(C#N)C#N)N)C#N)C
InChI: InChI=1S/C23H24N4/c1-14-9-15(2)20(16(3)10-14)21-18-8-6-4-5-7-17(18)19(11-24)22(27)23(21,12-25)13-26/h7,9-10,18,21H,4-6,8,27H2,1-3H3/t18-,21-/m0/s1
SMILES: CCC(=O)N1[C@H]([C@@H]2CCO[C@H]2C3=C1C=CC(=C3)Cl)C4=CC=CO4
InChI: InChI=1S/C18H18ClNO3/c1-2-16(21)20-14-6-5-11(19)10-13(14)18-12(7-9-23-18)17(20)15-4-3-8-22-15/h3-6,8,10,12,17-18H,2,7,9H2,1H3/t12-,17+,18+/m0/s1
SMILES: C[C@H]1CO[C@@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)OC(=O)C)[C@H]([C@@H]1OC(=O)C)C
InChI: InChI=1S/C19H32O6/c1-10(2)17-12(4)16(23-14(6)20)8-19(25-17)13(5)18(24-15(7)21)11(3)9-22-19/h10-13,16-18H,8-9H2,1-7H3/t11-,12-,13-,16+,17+,18+,19+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H]([C@H]([C@@H]1O)O)N=C(S2)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C20H21N3O3S/c24-15-11-14(19(26)21-12-7-3-1-4-8-12)18-16(17(15)25)23-20(27-18)22-13-9-5-2-6-10-13/h1-10,14-18,24-25H,11H2,(H,21,26)(H,22,23)/t14-,15+,16-,17-,18+/m0/s1
SMILES: C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=C(C=C6)O)O)O)O)O
InChI: InChI=1S/C36H36O18/c37-13-22-26(42)29(45)31(47)35(52-22)50-19-11-20(40)25-21(12-19)51-33(16-4-8-18(39)9-5-16)34(28(25)44)54-36-32(48)30(46)27(43)23(53-36)14-49-24(41)10-3-15-1-6-17(38)7-2-15/h1-12,22-23,26-27,29-32,35-40,42-43,45-48H,13-14H2/b10-3+/t22-,23-,26-,27-,29+,30+,31-,32-,35-,36+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@@H]4C(=CCN5N4C(=O)N(C5=O)C6=CC=CC=C6)[C@@H]2C7=CC=C(C=C7)OCCO)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C39H33Cl2N5O7/c1-52-27-14-9-24(10-15-27)39-30(35(48)45(36(39)49)42-32-16-11-25(40)21-31(32)41)22-33-29(34(39)23-7-12-28(13-8-23)53-20-19-47)17-18-43-37(50)44(38(51)46(33)43)26-5-3-2-4-6-26/h2-17,21,30,33-34,42,47H,18-20,22H2,1H3/t30-,33+,34-,39+/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)NC56CC7CC(C5)CC(C7)C6)CSCCO
InChI: InChI=1S/C39H48N2O5S/c1-25-35(24-47-15-14-42)45-37(46-36(25)31-8-6-26(23-43)7-9-31)32-12-10-30(11-13-32)34-5-3-2-4-33(34)22-40-38(44)41-39-19-27-16-28(20-39)18-29(17-27)21-39/h2-13,25,27-29,35-37,42-43H,14-24H2,1H3,(H2,40,41,44)/t25-,27?,28?,29?,35+,36+,37+,39?/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3[C@@H]2COCOC3
InChI: InChI=1S/C13H16N2O5S/c1-9(16)14-10-2-4-11(5-3-10)21(17,18)15-12-6-19-8-20-7-13(12)15/h2-5,12-13H,6-8H2,1H3,(H,14,16)/t12-,13+,15?
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)[C@H](C)OC(=O)C)CSC4=NN=CN4C
InChI: InChI=1S/C28H34N4O6S/c1-17-24(15-39-28-31-30-16-32(28)4)37-27(38-25(17)22-9-7-21(14-33)8-10-22)23-11-5-20(6-12-23)13-29-26(35)18(2)36-19(3)34/h5-12,16-18,24-25,27,33H,13-15H2,1-4H3,(H,29,35)/t17-,18-,24+,25+,27+/m0/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@@H]3CN(C)CC4OCCO4
InChI: InChI=1S/C20H31NO4/c1-13-5-4-6-20(2)10-17-14(9-16(13)20)15(19(22)25-17)11-21(3)12-18-23-7-8-24-18/h14-15,17-18H,4-12H2,1-3H3/t14-,15-,17-,20-/m1/s1
SMILES: CC1=CC(=NN1)NC2=NC(=NC3=C2SC=C3)N[C@H]4C[C@@H]5CC[C@H]4N5C(=O)OC(C)(C)C
InChI: InChI=1S/C21H27N7O2S/c1-11-9-16(27-26-11)24-18-17-13(7-8-31-17)22-19(25-18)23-14-10-12-5-6-15(14)28(12)20(29)30-21(2,3)4/h7-9,12,14-15H,5-6,10H2,1-4H3,(H3,22,23,24,25,26,27)/t12-,14-,15+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)NC(=O)CCC(=O)[O-]
InChI: InChI=1S/C19H20N2O5/c22-14(7-8-15(23)24)20-12-3-5-13(6-4-12)21-18(25)16-10-1-2-11(9-10)17(16)19(21)26/h3-6,10-11,16-17H,1-2,7-9H2,(H,20,22)(H,23,24)/p-1/t10-,11+,16+,17-
SMILES: C/C(=N/OCC1=C(C=CC=C1Cl)Cl)/[C@@H]2C[C@@H]2C3=CC=C(C=C3)OC
InChI: InChI=1S/C19H19Cl2NO2/c1-12(22-24-11-17-18(20)4-3-5-19(17)21)15-10-16(15)13-6-8-14(23-2)9-7-13/h3-9,15-16H,10-11H2,1-2H3/b22-12-/t15-,16+/m0/s1
SMILES: CC(C)C[C@@H](C(=O)O)NC[C@@H]1[C@H](CC[C@H](O1)CNC(=O)[C@H](CSSC(C)(C)C)N)OCC2=CC=CC=C2
InChI: InChI=1S/C27H45N3O5S2/c1-18(2)13-22(26(32)33)29-15-24-23(34-16-19-9-7-6-8-10-19)12-11-20(35-24)14-30-25(31)21(28)17-36-37-27(3,4)5/h6-10,18,20-24,29H,11-17,28H2,1-5H3,(H,30,31)(H,32,33)/t20-,21-,22-,23-,24+/m0/s1
SMILES: C1[C@@H]2C/C(=C\CCCC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)/C[C@@H]2[C@H]([C@@H]1O)SC[C@H](C5=CC=CC=C5)O
InChI: InChI=1S/C34H37NO5S/c36-30-21-26-19-23(20-29(26)33(30)41-22-31(37)24-10-3-1-4-11-24)9-7-8-14-32(38)40-28-17-15-27(16-18-28)35-34(39)25-12-5-2-6-13-25/h1-6,9-13,15-18,26,29-31,33,36-37H,7-8,14,19-22H2,(H,35,39)/b23-9+/t26-,29-,30+,31+,33+/m0/s1
SMILES: CC[C@H]([C@@H]([C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@H]4C5)C)O)C)O)O)C(C)C
InChI: InChI=1S/C29H50O3/c1-7-19(16(2)3)26(32)25(31)17(4)21-8-9-22-20-14-24(30)29-15-18(29)10-13-28(29,6)23(20)11-12-27(21,22)5/h16-26,30-32H,7-15H2,1-6H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,26-,27+,28+,29-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)COC(=O)CCNC(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C21H27ClN2O4/c22-17-9-7-16(8-10-17)21(27)23-12-11-20(26)28-14-19(25)24-13-3-5-15-4-1-2-6-18(15)24/h7-10,15,18H,1-6,11-14H2,(H,23,27)/t15-,18-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@H]3CCC/C(=C\C4=CC5=CC=CC=C5S4)/C3=C(N2C1=O)C(=O)O)O.[Na]
InChI: InChI=1S/C22H21NO4S.Na/c1-11(24)17-19-15-7-4-6-13(18(15)20(22(26)27)23(19)21(17)25)10-14-9-12-5-2-3-8-16(12)28-14;/h2-3,5,8-11,15,17,19,24H,4,6-7H2,1H3,(H,26,27);/b13-10+;/t11-,15+,17-,19-;/m1./s1
SMILES: CCCC(=O)N(CC1=CC=C(C=C1)F)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C28H32FIN2O7/c1-3-4-25(35)32(15-17-5-7-20(29)8-6-17)22-13-19(28(37)31-9-10-33)14-23(26(22)36)39-27-21(30)11-18(16-34)12-24(27)38-2/h5-8,11-12,14,16,22-23,26,33,36H,3-4,9-10,13,15H2,1-2H3,(H,31,37)/t22-,23+,26+/m1/s1
SMILES: COC1=CC=CC2=C1[C@H]3CCN(C[C@@H]3C2)CCCN4C(=O)CC5(CCCC5)CC4=O
InChI: InChI=1S/C25H34N2O3/c1-30-21-7-4-6-18-14-19-17-26(13-8-20(19)24(18)21)11-5-12-27-22(28)15-25(16-23(27)29)9-2-3-10-25/h4,6-7,19-20H,2-3,5,8-17H2,1H3/t19-,20-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C.CC(C)(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
InChI: InChI=1S/C23H36N2O2.C12H13F3N2O3/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4;1-11(2,3)10(18)16-7-4-5-9(17(19)20)8(6-7)12(13,14)15/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27);4-6H,1-3H3,(H,16,18)/t14-,15-,16-,17+,18+,22-,23+;/m0./s1
SMILES: CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2C[C@@H]3C[C@H]2C=C3
InChI: InChI=1S/C17H22N2O3S/c1-11(2)19-23(21,22)15-7-5-14(6-8-15)18-17(20)16-10-12-3-4-13(16)9-12/h3-8,11-13,16,19H,9-10H2,1-2H3,(H,18,20)/t12-,13+,16+/m0/s1
SMILES: C1=CC=C(C=C1)C/C(=N/[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/N.Br
InChI: InChI=1S/C14H20N2O5.BrH/c15-10(6-8-4-2-1-3-5-8)16-14-13(20)12(19)11(18)9(7-17)21-14;/h1-5,9,11-14,17-20H,6-7H2,(H2,15,16);1H/t9-,11-,12+,13-,14-;/m1./s1
SMILES: CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C19H25BrN2O2/c1-12-7-16(20)5-6-17(12)21-18(23)11-22(2)19(24)10-15-9-13-3-4-14(15)8-13/h5-7,13-15H,3-4,8-11H2,1-2H3,(H,21,23)/t13-,14+,15-/m0/s1
SMILES: CCCCCC[C@@H]1CC(=O)[C@H]2CCCC[C@@]23N1[C@@H](CC3)CO
InChI: InChI=1S/C19H33NO2/c1-2-3-4-5-8-15-13-18(22)17-9-6-7-11-19(17)12-10-16(14-21)20(15)19/h15-17,21H,2-14H2,1H3/t15-,16+,17-,19+/m1/s1
SMILES: COCCCN1C(=O)[C@@H]2[C@@H]([NH2+][C@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CC(=O)N
InChI: InChI=1S/C19H22N4O5/c1-28-8-4-7-23-16(25)14-12(9-13(20)24)22-19(15(14)17(23)26)10-5-2-3-6-11(10)21-18(19)27/h2-3,5-6,12,14-15,22H,4,7-9H2,1H3,(H2,20,24)(H,21,27)/p+1/t12-,14+,15-,19-/m0/s1
SMILES: CCCCC1=CC=C(C=C1)NC(=O)[C@H]2CC(=C(C[C@@H]2C(=O)[O-])C)C
InChI: InChI=1S/C20H27NO3/c1-4-5-6-15-7-9-16(10-8-15)21-19(22)17-11-13(2)14(3)12-18(17)20(23)24/h7-10,17-18H,4-6,11-12H2,1-3H3,(H,21,22)(H,23,24)/p-1/t17-,18-/m0/s1
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2C3(OCCO3)C)[C@H]4[C@H]1[C@]5(CCC6(CC5=CC4)OCCO6)C)C
InChI: InChI=1S/C27H40O6/c1-17(28)33-21-16-25(3)20(7-8-22(25)26(4)29-11-12-30-26)19-6-5-18-15-27(31-13-14-32-27)10-9-24(18,2)23(19)21/h5,19-23H,6-16H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-/m0/s1
SMILES: C=C1CC[C@@H]2[C@H]1[C@@H]3[C@@H](CC[C@]24CO4)C(=C)C(=O)O3
InChI: InChI=1S/C15H18O3/c1-8-3-4-11-12(8)13-10(9(2)14(16)18-13)5-6-15(11)7-17-15/h10-13H,1-7H2/t10-,11+,12-,13-,15-/m0/s1