EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)C2[C@H]3[C@H]2CC[C@H]4[C@H](C4(Cl)Cl)CC3
InChI: InChI=1S/C18H20Cl3NO/c1-9-2-3-10(19)8-15(9)22-17(23)16-11-4-6-13-14(18(13,20)21)7-5-12(11)16/h2-3,8,11-14,16H,4-7H2,1H3,(H,22,23)/t11-,12-,13-,14+,16?/m1/s1
SMILES: C[C@]12CCC[C@@]([C@@H]1CC(=O)C3=C2C=C(C=C3)OC)(C)C(=O)OC
InChI: InChI=1S/C19H24O4/c1-18-8-5-9-19(2,17(21)23-4)16(18)11-15(20)13-7-6-12(22-3)10-14(13)18/h6-7,10,16H,5,8-9,11H2,1-4H3/t16-,18-,19-/m1/s1
SMILES: CC1(OC[C@]2(O1)[C@H]3[C@@H]([C@@]([C@H]4[C@@H]2OC(O4)(C)C)([C@@H](C(=O)O3)OCOC)N)CO)C
InChI: InChI=1S/C18H29NO9/c1-15(2)24-7-17(28-15)10-9(6-20)18(19,12-11(17)26-16(3,4)27-12)13(14(21)25-10)23-8-22-5/h9-13,20H,6-8,19H2,1-5H3/t9-,10+,11-,12+,13+,17-,18+/m0/s1
SMILES: CCCCCOC[C@@H]1C[C@]([C@@H](O1)O)(C/C(=N\NC(=O)N)/C)C(=O)OCC
InChI: InChI=1S/C17H31N3O6/c1-4-6-7-8-24-11-13-10-17(15(22)26-13,14(21)25-5-2)9-12(3)19-20-16(18)23/h13,15,22H,4-11H2,1-3H3,(H3,18,20,23)/b19-12-/t13-,15+,17+/m0/s1
SMILES: C[C@]1([C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)NC4CCCC4)CO)O
InChI: InChI=1S/C16H23N5O4/c1-16(24)10(6-22)25-15(12(16)23)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12+,15-,16-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@@]2(CC3=C1N=C(S3)N)C)[C@H](C)C(=O)NCCN4CCOCC4)O
InChI: InChI=1S/C22H36N4O3S/c1-13(20(28)24-6-7-26-8-10-29-11-9-26)15-4-5-22(3)12-16-18(25-21(23)30-16)14(2)17(22)19(15)27/h13-15,17,19,27H,4-12H2,1-3H3,(H2,23,25)(H,24,28)/t13-,14-,15-,17+,19-,22+/m0/s1
SMILES: CC1=C(SC(=C1C#N)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3)C
InChI: InChI=1S/C16H16N2O3S/c1-7-8(2)22-15(11(7)6-17)18-14(19)12-9-3-4-10(5-9)13(12)16(20)21/h3-4,9-10,12-13H,5H2,1-2H3,(H,18,19)(H,20,21)/t9-,10+,12-,13+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)(C(Cl)Cl)O)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H22Cl2O7/c1-27-20-17(30-18(25)13-8-4-2-5-9-13)22(26,21(23)24)16-15(29-20)12-28-19(31-16)14-10-6-3-7-11-14/h2-11,15-17,19-21,26H,12H2,1H3/t15-,16-,17+,19?,20+,22-/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@@H](C2)C3=CC=C(C=C3)I)C(=O)OC
InChI: InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14+,15-/m0/s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC(=C(C=C5)O)OC
InChI: InChI=1S/C25H22N2O6/c1-31-19-11-7-6-10-17(19)26-24(29)21-22(15-12-13-18(28)20(14-15)32-2)27(33-23(21)25(26)30)16-8-4-3-5-9-16/h3-14,21-23,28H,1-2H3/t21-,22-,23+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@]14CC[C@H]([C@@H]4CC2=O)OS(=O)(=O)C)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C23H30O5S/c1-22-10-8-17-16-6-5-15(27-2)12-14(16)4-7-18(17)23(22)11-9-20(28-29(3,25)26)19(23)13-21(22)24/h5-6,12,17-20H,4,7-11,13H2,1-3H3/t17-,18-,19+,20-,22-,23+/m1/s1
SMILES: B1(OC[C@@H]([C@H](O1)CC=C)O[C@@H]2CO[C@H](O[C@H]2COC(=O)C)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H29BO7/c1-3-10-21-24(17-30-26(33-21)20-13-8-5-9-14-20)31-22-16-29-25(19-11-6-4-7-12-19)32-23(22)15-28-18(2)27/h3-9,11-14,21-25H,1,10,15-17H2,2H3/t21-,22-,23+,24+,25-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)[C@H](CC(=O)CCCOC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C42H54N2O9Si/c1-28-27-44(40(48)43-39(28)47)37-26-36(53-54(7,8)41(2,3)4)38(52-37)35(46)25-32(45)15-12-24-51-42(29-13-10-9-11-14-29,30-16-20-33(49-5)21-17-30)31-18-22-34(50-6)23-19-31/h9-11,13-14,16-23,27,35-38,46H,12,15,24-26H2,1-8H3,(H,43,47,48)/t35-,36-,37+,38+/m0/s1
SMILES: COC1=CC(=CC2=C1N[C@@H]([C@H]3[C@H]2C=CC3)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]
InChI: InChI=1S/C23H20N2O3/c1-28-21-13-15(25(26)27)12-20-17-9-5-11-19(17)22(24-23(20)21)18-10-4-7-14-6-2-3-8-16(14)18/h2-10,12-13,17,19,22,24H,11H2,1H3/t17-,19-,22-/m1/s1
SMILES: CC(=C)C(=O)N1C(=O)N([C@@]2([C@]1(N(C(=O)N2C)C(=O)C)C)C)C
InChI: InChI=1S/C14H20N4O4/c1-8(2)10(20)18-12(22)16(7)13(4)14(18,5)17(9(3)19)11(21)15(13)6/h1H2,2-7H3/t13-,14+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CC([C@@]([C@]3([C@@H]2O3)C)(/C=C/C(=C/C(=O)OC)/C)O)(C)C
InChI: InChI=1S/C23H30O7S/c1-15-7-9-17(10-8-15)31(26,27)30-18-14-21(3,4)23(25,22(5)20(18)29-22)12-11-16(2)13-19(24)28-6/h7-13,18,20,25H,14H2,1-6H3/b12-11+,16-13+/t18-,20-,22-,23-/m1/s1
SMILES: CN1C(=O)[C@]23CC4=CC(=C[C@@H]([C@H]4N2C(=O)[C@]1(SS3)CO)O)F
InChI: InChI=1S/C13H13FN2O4S2/c1-15-10(19)12-4-6-2-7(14)3-8(18)9(6)16(12)11(20)13(15,5-17)22-21-12/h2-3,8-9,17-18H,4-5H2,1H3/t8-,9-,12+,13+/m0/s1
SMILES: C[C@H](CC[C@](C)(C(C)(C)F)O)[C@H]1CC[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/C28H45FO3/c1-18(13-15-28(6,32)26(3,4)29)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(30)17-25(31)19(21)2/h9-10,18,22-25,30-32H,2,7-8,11-17H2,1,3-6H3/b20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1
SMILES: CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)[C@H](C)C4=CC=CC=C4)O2
InChI: InChI=1S/C21H25NO4/c1-3-4-12-25-20(24)17-16-10-11-21(26-16)13-22(19(23)18(17)21)14(2)15-8-6-5-7-9-15/h5-11,14,16-18H,3-4,12-13H2,1-2H3/t14-,16-,17+,18+,21-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O
InChI: InChI=1S/C19H23N3O4/c1-11-6-5-9-15(12(11)2)20-16(23)10-22-18(24)14-8-4-3-7-13(14)17(21-22)19(25)26/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H,20,23)(H,25,26)/t11-,12+,15-/m1/s1
SMILES: CCCCNC(=S)N[C@@H]1CC[C@]2(CCN([C@H]2C1)CCCC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C30H43N3O2S/c1-4-5-18-31-29(36)32-25-15-16-30(24-13-14-26(34-2)27(21-24)35-3)17-20-33(28(30)22-25)19-9-12-23-10-7-6-8-11-23/h6-8,10-11,13-14,21,25,28H,4-5,9,12,15-20,22H2,1-3H3,(H2,31,32,36)/t25-,28+,30+/m1/s1
SMILES: C[C@H](C1=CC=C(C=C1)OC)N2C[C@@]34C=C[C@@H](O3)[C@H]([C@H]4C2=O)C(=O)[O-]
InChI: InChI=1S/C18H19NO5/c1-10(11-3-5-12(23-2)6-4-11)19-9-18-8-7-13(24-18)14(17(21)22)15(18)16(19)20/h3-8,10,13-15H,9H2,1-2H3,(H,21,22)/p-1/t10-,13-,14-,15+,18-/m1/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)O)O)O
InChI: InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1
SMILES: C[C@@H](/C=C/C=C(C)C)[C@H]1CC[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/C27H40O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h6,8-9,11-12,19,23-26,28-29H,4,7,10,13-17H2,1-3,5H3/b9-6+,21-11+,22-12-/t19-,23+,24+,25-,26-,27+/m0/s1
SMILES: CCC[C@H]1[C@@H]([C@H](N(N1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C)C(=O)OC
InChI: InChI=1S/C23H26N2O4/c1-4-11-19-20(23(28)29-3)16(2)24(21(26)17-12-7-5-8-13-17)25(19)22(27)18-14-9-6-10-15-18/h5-10,12-16,19-20H,4,11H2,1-3H3/t16-,19+,20-/m1/s1
SMILES: CCOC(=O)[C@@]12CCC[C@@]([C@@H]1C=C(NC2=O)C)(C)[N+](=O)[O-]
InChI: InChI=1S/C14H20N2O5/c1-4-21-12(18)14-7-5-6-13(3,16(19)20)10(14)8-9(2)15-11(14)17/h8,10H,4-7H2,1-3H3,(H,15,17)/t10-,13+,14-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=C(C=C(C=C3)OC)OC)C(=O)NC4=CC=CC=C4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)CC6=C(C=CC=C6Cl)F)C
InChI: InChI=1S/C46H52ClFN2O6/c1-30-10-9-22-45(2)39(36-20-16-31(24-34(51)18-15-30)25-37(36)42(52)27-38-40(47)13-8-14-41(38)48)21-23-46(45,54)29-50(44(53)49-33-11-6-5-7-12-33)28-32-17-19-35(55-3)26-43(32)56-4/h5-8,10-14,16-17,19-20,25-26,34,39,51,54H,9,15,18,21-24,27-29H2,1-4H3,(H,49,53)/t34-,39-,45-,46+/m0/s1
SMILES: C/C=C/[C@@H]1CCC2(C1[C@H]3CCC4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C(C)(C)C)C)C(=O)O
InChI: InChI=1S/C35H56O4/c1-10-11-22-14-19-35(28(36)37)21-20-33(8)23(27(22)35)12-13-25-32(7)17-16-26(39-29(38)30(2,3)4)31(5,6)24(32)15-18-34(25,33)9/h10-11,22-27H,12-21H2,1-9H3,(H,36,37)/b11-10+/t22-,23-,24+,25?,26+,27?,32+,33-,34-,35?/m1/s1
SMILES: C[C@]12CC(=O)C3(C1([C@@H]4CC(C[C@@H]4C2=O)(C)C)OC3=O)C
InChI: InChI=1S/C16H20O4/c1-13(2)5-8-9(6-13)16-14(3,11(8)18)7-10(17)15(16,4)12(19)20-16/h8-9H,5-7H2,1-4H3/t8-,9+,14+,15?,16?/m0/s1
SMILES: CCOC(=O)C=CC[C@H]1[C@@H]([C@H](C2=C(N1C(=O)OCC=C)C=CC(=C2)O)O)O
InChI: InChI=1S/C19H23NO7/c1-3-10-27-19(25)20-14-9-8-12(21)11-13(14)17(23)18(24)15(20)6-5-7-16(22)26-4-2/h3,5,7-9,11,15,17-18,21,23-24H,1,4,6,10H2,2H3/t15-,17-,18-/m0/s1
SMILES: CC1=CC2=C([C@@H]3[C@@H](N([C@H]([C@H](C2)N3C(=O)OCC=C)C#N)[C@@H](COC(=O)C)C4=CC(=C(C5=C4OCO5)C)OCOC)C=O)C(=C1OC)OCC=C
InChI: InChI=1S/C36H41N3O11/c1-8-10-45-35-30-23(12-20(3)32(35)44-7)13-25-26(15-37)38(27(16-40)31(30)39(25)36(42)46-11-9-2)28(17-47-22(5)41)24-14-29(48-18-43-6)21(4)33-34(24)50-19-49-33/h8-9,12,14,16,25-28,31H,1-2,10-11,13,17-19H2,3-7H3/t25-,26-,27-,28-,31-/m0/s1
SMILES: CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C22H27NO4/c1-14-13-15(22(2,3)4)9-10-18(14)27-19(24)11-12-23-20(25)16-7-5-6-8-17(16)21(23)26/h5-6,9-10,13,16-17H,7-8,11-12H2,1-4H3/t16-,17+
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C
InChI: InChI=1S/C24H30O3.C18H24O2/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+;14-,15-,16+,17+,18+/m11/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C23H32N2O3S/c26-23(24-14-10-20-8-4-5-9-22(20)18-24)21-11-15-25(16-12-21)29(27,28)17-13-19-6-2-1-3-7-19/h1-3,6-7,13,17,20-22H,4-5,8-12,14-16,18H2/b17-13+/t20-,22-/m1/s1
SMILES: CCN(CC)C(=O)COC(=O)CN1C(=O)[C@@]2(CCCC[C@@H]2C)NC1=O
InChI: InChI=1S/C17H27N3O5/c1-4-19(5-2)13(21)11-25-14(22)10-20-15(23)17(18-16(20)24)9-7-6-8-12(17)3/h12H,4-11H2,1-3H3,(H,18,24)/t12-,17-/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H](CC[C@]2(C1CC5=C3C(=C(C=C5)O)O4)OC)NCC(=O)O
InChI: InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18-,19-,20+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NC[C@@H](C3=CC=CC=C3)N4CCCC4
InChI: InChI=1S/C23H31N3O3/c27-21(12-15-26-22(28)18-10-4-5-11-19(18)23(26)29)24-16-20(25-13-6-7-14-25)17-8-2-1-3-9-17/h1-3,8-9,18-20H,4-7,10-16H2,(H,24,27)/t18-,19-,20-/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)COC(=O)CCCCCN2C(=O)[C@@H]3[C@@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C33H31NO6/c1-39-21-16-14-20(15-17-21)26(35)19-40-27(36)13-3-2-8-18-34-32(37)30-28-22-9-4-5-10-23(22)29(31(30)33(34)38)25-12-7-6-11-24(25)28/h4-7,9-12,14-17,28-31H,2-3,8,13,18-19H2,1H3/t28?,29?,30-,31-/m0/s1
SMILES: CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C20H23ClN2O5/c1-12-10-13(21)6-7-16(12)22-17(24)11-28-18(25)8-9-23-19(26)14-4-2-3-5-15(14)20(23)27/h6-7,10,14-15H,2-5,8-9,11H2,1H3,(H,22,24)/t14-,15-/m1/s1
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NC2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=C3Cl
InChI: InChI=1S/C20H18BrClN2O2/c21-13-9-11-14(12-10-13)23-19(25)15-5-1-2-6-16(15)20(26)24-18-8-4-3-7-17(18)22/h1-4,7-12,15-16H,5-6H2,(H,23,25)(H,24,26)/t15-,16+/m1/s1
SMILES: C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)O
InChI: InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6,8,10,12-14,16-18,21-23H,4-5H2,1-2H3,(H,19,20)/b7-3+/t8-,10+,12+,13-,14+,16-,17-/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]3[C@@H]([C@@H](C4=CC=CC=C4O3)C5C(=O)N(C(=S)N(C5=O)C6=CC=C(C=C6)C)C7=CC=C(C=C7)C)C(=O)N(C2=S)C8=CC=C(C=C8)C
InChI: InChI=1S/C43H36N4O4S2/c1-25-9-17-29(18-10-25)44-38(48)36(39(49)45(42(44)52)30-19-11-26(2)12-20-30)35-33-7-5-6-8-34(33)51-41-37(35)40(50)46(31-21-13-27(3)14-22-31)43(53)47(41)32-23-15-28(4)16-24-32/h5-24,35-37,41H,1-4H3/t35-,37-,41-/m0/s1
SMILES: CC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O)C
InChI: InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31?,33-,34+,35+,36+/m0/s1
SMILES: C[C@H]1C=C[C@H]2CCCC[C@H]2[C@@H]1C3=CC(=C(C(=O)O3)C=O)N
InChI: InChI=1S/C17H21NO3/c1-10-6-7-11-4-2-3-5-12(11)16(10)15-8-14(18)13(9-19)17(20)21-15/h6-12,16H,2-5,18H2,1H3/t10-,11+,12+,16+/m0/s1
SMILES: CC(C)C1=CC(=NC(=N1)S[C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)C(F)(F)F
InChI: InChI=1S/C14H15F3N2O3S/c1-6(2)7-3-11(14(15,16)17)19-13(18-7)23-10-4-8(20)12-21-5-9(10)22-12/h3,6,9-10,12H,4-5H2,1-2H3/t9-,10+,12-/m0/s1
SMILES: C[C@@]12CC[C@@]3(C([C@@H]1CC(CC2)(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)C
InChI: InChI=1S/C30H50O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h19-23,31H,8-18H2,1-7H3,(H,32,33)/t19?,20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC(=C(C(=C6Br)Br)O)OC)C(=O)N(C5=O)C7=CC=C(C=C7)C=C)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C42H33Br2Cl2N3O7/c1-4-20-5-10-23(11-6-20)48-38(51)26-15-14-25-27(33(26)40(48)53)18-29-39(52)49(47-31-16-9-22(45)17-30(31)46)41(54)42(29,21-7-12-24(55-2)13-8-21)34(25)28-19-32(56-3)37(50)36(44)35(28)43/h4-14,16-17,19,26-27,29,33-34,47,50H,1,15,18H2,2-3H3/t26-,27+,29-,33-,34+,42+/m0/s1
SMILES: CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OCC5=CC(=C(C=C5C(=O)O)O)O)/C6=CSC(=N6)N)SC3)C(=O)O)C(=O)O
InChI: InChI=1S/C28H23N9O11S3/c1-9-2-16(37-28(30-9)33-20(34-37)26(46)47)49-6-11-7-50-23-18(22(41)36(23)19(11)25(44)45)32-21(40)17(13-8-51-27(29)31-13)35-48-5-10-3-14(38)15(39)4-12(10)24(42)43/h2-4,8,18,23,38-39H,5-7H2,1H3,(H2,29,31)(H,32,40)(H,42,43)(H,44,45)(H,46,47)/b35-17-/t18-,23-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1C[C@@H]([C@@H]3C2=CC[C@@]4([C@@H]3CC[C@@]45CCC(=O)O5)C)C(=O)OC
InChI: InChI=1S/C24H30O5/c1-22-8-4-15(25)12-14(22)13-16(21(27)28-3)20-17(22)5-9-23(2)18(20)6-10-24(23)11-7-19(26)29-24/h5,12,16,18,20H,4,6-11,13H2,1-3H3/t16-,18+,20+,22-,23+,24+/m0/s1
SMILES: COC1=CC=C(C=C1)C[C@@]2([C@@H]3[C@@H](CC4=C3C=C(N4CCC5=CNC6=C5C=CC(=C6)F)C(=O)N7CCCC7)CN2C(=O)C8=CC=CC=C8)C(=O)OC
InChI: InChI=1S/C41H41FN4O5/c1-50-31-13-10-26(11-14-31)23-41(40(49)51-2)37-29(25-46(41)38(47)27-8-4-3-5-9-27)20-35-33(37)22-36(39(48)44-17-6-7-18-44)45(35)19-16-28-24-43-34-21-30(42)12-15-32(28)34/h3-5,8-15,21-22,24,29,37,43H,6-7,16-20,23,25H2,1-2H3/t29-,37+,41+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=CC=CC=C32)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C26H22N2O5/c29-25(18-9-3-1-4-10-18)31-16-23-22(33-26(30)19-11-5-2-6-12-19)15-24(32-23)28-17-27-20-13-7-8-14-21(20)28/h1-14,17,22-24H,15-16H2/t22-,23+,24+/m0/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC(=O)NC5=C(C=C(C=C5)OC)OC)CCCCO)CCCCO)OCC=C)N(CC6=CC=CC7=CC=CC=C76)C(=O)CCC8CCCC8
InChI: InChI=1S/C59H75N3O10/c1-7-33-69-59-53(62(54(65)30-25-39-17-8-9-18-39)38-42-22-16-21-40-19-10-11-23-45(40)42)37-50(61-72-58(2,3)4)47-34-41(20-12-14-31-63)46(24-13-15-32-64)55(56(47)59)48-35-44(27-29-51(48)71-59)70-57(66)60-49-28-26-43(67-5)36-52(49)68-6/h7,10-11,16,19,21-23,26-29,34-36,39,41,46,53,55-56,63-64H,1,8-9,12-15,17-18,20,24-25,30-33,37-38H2,2-6H3,(H,60,66)/t41-,46+,53-,55+,56+,59+/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/CO)/C)CC(=O)C=C2C)C
InChI: InChI=1S/C20H32O2/c1-14(8-11-21)6-9-19(4)15(2)7-10-20(5)16(3)12-17(22)13-18(19)20/h8,12,15,18,21H,6-7,9-11,13H2,1-5H3/b14-8+/t15-,18-,19+,20+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@]2(CC(=O)ON2C)[C@H]([C@@H](O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H43N3O7Si2/c1-22(2,3)35(8,9)31-15-16-24(14-18(29)33-26(24)7)19(34-36(10,11)23(4,5)6)20(32-16)27-13-12-17(28)25-21(27)30/h12-13,16,19-20H,14-15H2,1-11H3,(H,25,28,30)/t16-,19+,20-,24+/m1/s1
SMILES: CC(=C)[C@H]1C[C@H]([C@H](C[C@]1(C)C=C)O)CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H38O2Si/c1-10-20(7)14-18(21)16(13-17(20)15(2)3)11-12-22-23(8,9)19(4,5)6/h10,16-18,21H,1-2,11-14H2,3-9H3/t16-,17-,18+,20+/m1/s1
SMILES: CN1CC[C@]23[C@@]14CCC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
InChI: InChI=1S/C18H21NO3/c1-19-10-9-18-14-11-3-4-13(21-2)15(14)22-16(18)12(20)6-8-17(18,19)7-5-11/h3-4,6,8,12,16,20H,5,7,9-10H2,1-2H3/t12-,16-,17-,18-/m0/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)F)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C26H43FO9/c1-23(2,3)19(28)32-13-14-15(34-20(29)24(4,5)6)16(35-21(30)25(7,8)9)17(18(27)33-14)36-22(31)26(10,11)12/h14-18H,13H2,1-12H3/t14-,15-,16+,17+,18+/m1/s1
SMILES: C/C(=C\1/CCCC1(C)C)/[C@H]2CC[C@@H]3[C@H](C2(C)C)[C@H](O[C@H]3OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H36O5/c1-13(17-9-8-12-22(17,4)5)18-11-10-16-19(23(18,6)7)21(27-15(3)25)28-20(16)26-14(2)24/h16,18-21H,8-12H2,1-7H3/b17-13+/t16-,18-,19+,20-,21+/m1/s1
SMILES: CC(C)([C@H]1CCCC[C@@H]1O[C@H]2CC[C@@H]3[C@@H]([C@H](ON3O2)C(=O)OC)C(=O)OC)C4=CC=CC=C4
InChI: InChI=1S/C25H35NO7/c1-25(2,16-10-6-5-7-11-16)17-12-8-9-13-19(17)31-20-15-14-18-21(23(27)29-3)22(24(28)30-4)33-26(18)32-20/h5-7,10-11,17-22H,8-9,12-15H2,1-4H3/t17-,18+,19-,20+,21-,22-/m0/s1
SMILES: C1CN2CCC1[C@@H]([C@@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)N
InChI: InChI=1S/C20H24N2/c21-19-17-11-13-22(14-12-17)20(19)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20H,11-14,21H2/t19-,20-/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@@H]3CCC=C4[C@@H]3O[C@]2(CC[C@H]4O)OC
InChI: InChI=1S/C20H26O5/c1-22-14-8-6-13(7-9-14)12-24-19-16-5-3-4-15-17(21)10-11-20(19,23-2)25-18(15)16/h4,6-9,16-19,21H,3,5,10-12H2,1-2H3/t16-,17-,18+,19-,20+/m1/s1
SMILES: C[C@@H](C(=O)O[C@@H](C)C(=O)C1=CC=C(C=C1)F)N2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H22FNO5/c1-11(22-18(24)15-5-3-4-6-16(15)19(22)25)20(26)27-12(2)17(23)13-7-9-14(21)10-8-13/h7-12,15-16H,3-6H2,1-2H3/t11-,12-,15-,16-/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=CC6=C5CC7=CC=CC=C76)CCOCCOCCO
InChI: InChI=1S/C41H42N2O6S/c1-3-48-41-33(17-19-46-21-22-47-20-18-44)35(32-10-6-9-31-30-8-5-4-7-28(30)24-34(31)32)25-37(49-41)39(45)42-29-14-12-27(13-15-29)40-43-36-16-11-26(2)23-38(36)50-40/h4-16,23,25,33,35,41,44H,3,17-22,24H2,1-2H3,(H,42,45)/t33-,35-,41-/m0/s1
SMILES: C[C@@H]([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)OC)C)[C@H](/C=C/C(C)C)O
InChI: InChI=1S/C28H46O2/c1-17(2)7-10-24(29)18(3)21-8-9-22-20-15-25(30-6)28-16-19(28)11-14-27(28,5)23(20)12-13-26(21,22)4/h7,10,17-25,29H,8-9,11-16H2,1-6H3/b10-7+/t18-,19-,20-,21+,22-,23-,24-,25+,26+,27+,28-/m0/s1
SMILES: C[C@H]1C=CCC(=O)N2CCC[C@H]2C(=O)OC[C@H]([C@@H](C=CCC(=O)OC[C@@H]1OC)C)OC
InChI: InChI=1S/C23H35NO7/c1-16-8-5-11-21(25)24-13-7-10-18(24)23(27)31-15-20(29-4)17(2)9-6-12-22(26)30-14-19(16)28-3/h5-6,8-9,16-20H,7,10-15H2,1-4H3/t16-,17+,18-,19-,20+/m0/s1
SMILES: CC1(N([C@H]([C@@H](O1)C=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C19H19NO3/c1-19(2)20(18(22)15-11-7-4-8-12-15)17(16(13-21)23-19)14-9-5-3-6-10-14/h3-13,16-17H,1-2H3/t16-,17-/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@H]3CCC(=C(N3C2=O)C(=O)OCC=C)C4=CSC(=N4)NC(=O)OCC=C
InChI: InChI=1S/C24H25N7O7S2/c1-4-8-37-21(34)18-12(13-10-40-23(27-13)29-24(35)38-9-5-2)6-7-15-17(20(33)31(15)18)28-19(32)16(30-36-3)14-11-39-22(25)26-14/h4-5,10-11,15,17H,1-2,6-9H2,3H3,(H2,25,26)(H,28,32)(H,27,29,35)/b30-16-/t15-,17+/m1/s1
SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)CO[C@H]3C[C@H]([C@@H]([C@H]3CCC=O)N4CCCCC4)O
InChI: InChI=1S/C27H35NO4/c1-31-23-13-11-22(12-14-23)21-9-7-20(8-10-21)19-32-26-18-25(30)27(24(26)6-5-17-29)28-15-3-2-4-16-28/h7-14,17,24-27,30H,2-6,15-16,18-19H2,1H3/t24-,25+,26-,27+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC(=O)O
InChI: InChI=1S/C17H16N2O4S2/c20-14(21)8-24-17-18-12-6-5-9(7-13(12)25-17)19-15(22)10-3-1-2-4-11(10)16(19)23/h5-7,10-11H,1-4,8H2,(H,20,21)/t10-,11-/m1/s1
SMILES: C1CC[C@@]23[C@@H](C1)CC4=C(N2C5=CC(=C(C(=O)N)C(=O)N)C=CC5=N3)CCCC4
InChI: InChI=1S/C22H26N4O2/c23-20(27)19(21(24)28)14-8-9-16-18(12-14)26-17-7-2-1-5-13(17)11-15-6-3-4-10-22(15,26)25-16/h8-9,12,15H,1-7,10-11H2,(H2,23,27)(H2,24,28)/t15-,22-/m0/s1
SMILES: CC(=NOCC[C@@H]1C=C[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)CCN2CCC3=NC(=C(C=C3C2)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C36H41N3O6/c1-25(38-43-21-18-31-14-15-34(44-27(3)41)35(45-31)24-42-26(2)40)16-19-39-20-17-33-30(23-39)22-32(28-10-6-4-7-11-28)36(37-33)29-12-8-5-9-13-29/h4-15,22,31,34-35H,16-21,23-24H2,1-3H3/t31-,34-,35+/m0/s1
SMILES: C1[C@H]([C@@H]2[C@@H](O2)[C@@H](O1)OCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C46H48O9/c1-6-16-33(17-7-1)26-47-31-38-40(48-27-34-18-8-2-9-19-34)42(49-28-35-20-10-3-11-21-35)43(50-29-36-22-12-4-13-23-36)46(53-38)54-39-32-52-45(44-41(39)55-44)51-30-37-24-14-5-15-25-37/h1-25,38-46H,26-32H2/t38-,39-,40-,41-,42+,43-,44-,45-,46+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C)C
InChI: InChI=1S/C44H55NO2/c1-27(2)8-6-9-28(3)36-19-20-37-34-18-16-32-26-33(22-24-43(32,4)38(34)23-25-44(36,37)5)47-42(46)45-39-21-15-31-13-12-29-10-7-11-30-14-17-35(39)41(31)40(29)30/h7,10-17,21,27-28,33-34,36-38H,6,8-9,18-20,22-26H2,1-5H3,(H,45,46)/t28-,33+,34+,36-,37+,38+,43+,44-/m1/s1
SMILES: CC(=O)C1=CN(C(=O)N(C1=O)C)[C@@H]2[C@H]3[C@@H]([C@@H](O2)CO)OC(O3)(C)C
InChI: InChI=1S/C15H20N2O7/c1-7(19)8-5-17(14(21)16(4)12(8)20)13-11-10(9(6-18)22-13)23-15(2,3)24-11/h5,9-11,13,18H,6H2,1-4H3/t9-,10+,11+,13-/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H](C(C2(C)C)C[C@@H]1O)O)OC(=O)/C=C/C4=CC=CC=C4)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H42O8/c1-18-24(36)17-23-29(38)27-19(2)25(41-26(37)14-13-22-11-9-8-10-12-22)15-16-33(27,7)31(40-21(4)35)30(39-20(3)34)28(18)32(23,5)6/h8-14,23-25,27,29-31,36,38H,2,15-17H2,1,3-7H3/b14-13+/t23?,24-,25-,27-,29+,30+,31-,33+/m0/s1
SMILES: CCOC(=O)CC(=O)[C@]1(C[C@@H]1CC(C)(C)C/C=C(\C)/CCl)C
InChI: InChI=1S/C18H29ClO3/c1-6-22-16(21)9-15(20)18(5)11-14(18)10-17(3,4)8-7-13(2)12-19/h7,14H,6,8-12H2,1-5H3/b13-7+/t14-,18-/m0/s1
SMILES: CCC(CC)(C[C@H]1CC(=C2[C@]3([C@@H]1N(CC3)CC4=CC=CC=C4)C5=CC=CC=C5N2)C(=O)OC)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C36H52N2O3Si/c1-9-35(10-2,25-41-42(7,8)34(3,4)5)23-27-22-28(33(39)40-6)31-36(29-18-14-15-19-30(29)37-31)20-21-38(32(27)36)24-26-16-12-11-13-17-26/h11-19,27,32,37H,9-10,20-25H2,1-8H3/t27-,32-,36-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)OC5C6=CC=CC=C6C(=O)O5)C=O)CO[C@H]7CN(C[C@H](O7)C)CC(=C)Cl
InChI: InChI=1S/C36H44ClNO7/c1-20(2)29-12-24-13-34(18-39)28-11-10-21(3)27(28)14-35(24,19-42-30-17-38(15-22(4)37)16-23(5)43-30)36(29,34)33(41)45-32-26-9-7-6-8-25(26)31(40)44-32/h6-9,12,18,20-21,23-24,27-28,30,32H,4,10-11,13-17,19H2,1-3,5H3/t21-,23-,24+,27-,28-,30-,32?,34+,35+,36+/m1/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O)O)C
InChI: InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25?,26-,28-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(C)[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/C56H78N2O8S/c1-4-6-7-8-9-10-11-12-13-24-36-63-55(61)58(3)52-41-50(57-65-42-43-25-16-14-17-26-43)48-39-44(27-20-22-33-59)47(30-21-23-34-60)53-49-40-45(62-37-38-67-46-28-18-15-19-29-46)31-32-51(49)66-56(52,54(48)53)64-35-5-2/h5,14-19,25-26,28-29,31-32,39-40,44,47,52-54,59-60H,2,4,6-13,20-24,27,30,33-38,41-42H2,1,3H3/t44-,47+,52-,53+,54+,56+/m0/s1
SMILES: CCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2C[C@@H](O[C@@H]2CO)N3C=CC(=NC3=O)N
InChI: InChI=1S/C24H33N5O5/c1-2-3-5-10-21(31)26-18(13-16-8-6-4-7-9-16)23(32)27-17-14-22(34-19(17)15-30)29-12-11-20(25)28-24(29)33/h4,6-9,11-12,17-19,22,30H,2-3,5,10,13-15H2,1H3,(H,26,31)(H,27,32)(H2,25,28,33)/t17-,18-,19+,22+/m0/s1
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O
InChI: InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5+,6-,9-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C(Cl)(Cl)Cl)CSC4=CC=CC=[N+]4[O-]
InChI: InChI=1S/C26H25Cl3N2O5S/c1-16-21(15-37-22-7-2-3-12-31(22)34)35-24(36-23(16)18-10-8-17(14-32)9-11-18)19-5-4-6-20(13-19)30-25(33)26(27,28)29/h2-13,16,21,23-24,32H,14-15H2,1H3,(H,30,33)/t16-,21+,23+,24+/m1/s1