EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@@H]4CNCCC5=CC=CC=C5OC)C
InChI: InChI=1S/C24H33NO4/c1-15-7-6-11-23(2)13-19-20(21-24(15,23)29-21)17(22(26)28-19)14-25-12-10-16-8-4-5-9-18(16)27-3/h4-5,8-9,15,17,19-21,25H,6-7,10-14H2,1-3H3/t15-,17+,19+,20+,21-,23+,24-/m0/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C
InChI: InChI=1S/C27H46O5S/c1-18(7-6-14-25(2,3)28)22-10-11-23-21-9-8-19-17-20(32-33(29,30)31)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28H,6-7,9-17H2,1-5H3,(H,29,30,31)/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]2COC(=O)[C@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC(=O)C)OC(=O)C)OC
InChI: InChI=1S/C26H24O11/c1-11(27)35-21-6-14(5-20(31-4)25(21)37-13(3)29)22-15-7-18-19(34-10-33-18)8-16(15)24(36-12(2)28)17-9-32-26(30)23(17)22/h5-8,17,22-24H,9-10H2,1-4H3/t17-,22-,23-,24+/m1/s1
SMILES: CC(=O)N[C@@]12CC[C@H]([C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)O)O3)CC6CC6)NCC(=O)O
InChI: InChI=1S/C24H31N3O5/c1-13(28)26-24-7-6-16(25-11-19(30)31)22-23(24)8-9-27(12-14-2-3-14)18(24)10-15-4-5-17(29)21(32-22)20(15)23/h4-5,14,16,18,22,25,29H,2-3,6-12H2,1H3,(H,26,28)(H,30,31)/t16-,18-,22+,23+,24-/m1/s1
SMILES: CC(C)OP1(=O)C[C@@H](O[C@@H]([C@@H]1O)COC(=O)C)OC(=O)C
InChI: InChI=1S/C12H21O8P/c1-7(2)20-21(16)6-11(18-9(4)14)19-10(12(21)15)5-17-8(3)13/h7,10-12,15H,5-6H2,1-4H3/t10-,11-,12-,21?/m1/s1
SMILES: C1=CC(=CC(=C1)Cl)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C12H15ClO6/c13-6-2-1-3-7(4-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5H2/t8-,9-,10-,11+,12+/m0/s1
SMILES: CC(C)(C)[C@@H]1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C24H24N4O2/c1-23(2,3)15-5-6-16-17(9-15)21(14-4-7-19-20(8-14)30-13-29-19)24(11-26,12-27)22(28)18(16)10-25/h4,6-8,15,17,21H,5,9,13,28H2,1-3H3/t15-,17+,21+/m1/s1
SMILES: CC1=CC=C(O1)CCC(=O)NC2=C([C@@H]3CCC[C@H]3S2)C(=O)OC
InChI: InChI=1S/C17H21NO4S/c1-10-6-7-11(22-10)8-9-14(19)18-16-15(17(20)21-2)12-4-3-5-13(12)23-16/h6-7,12-13H,3-5,8-9H2,1-2H3,(H,18,19)/t12-,13-/m1/s1
SMILES: C[C@H]1[C@@H](CCC2=C[C@H]([C@@H](C[C@]12C)C(=C)C)O)OC(=O)/C=C\S(=O)C
InChI: InChI=1S/C19H28O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15-17,20H,1,6-7,11H2,2-5H3/b9-8-/t13-,15-,16+,17+,19+,24?/m0/s1
SMILES: CCCS(=O)(=O)N1CC[C@H]([C@@H](C1)N(C)C2=NC=NC3=C2C=CN3)C
InChI: InChI=1S/C16H25N5O2S/c1-4-9-24(22,23)21-8-6-12(2)14(10-21)20(3)16-13-5-7-17-15(13)18-11-19-16/h5,7,11-12,14H,4,6,8-10H2,1-3H3,(H,17,18,19)/t12-,14-/m1/s1
SMILES: C[C@@H]1[C@@H](CC[C@]2(C1CC[C@]3([C@H]2[C@@H](CC4[C@@]3(C[C@@H]([C@@H]4[C@@H](CCC=C(C)C)CO)OC(=O)C)C)O)C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C37H66O5Si/c1-23(2)14-13-15-26(22-38)32-28-20-29(40)33-35(8)18-17-30(42-43(11,12)34(5,6)7)24(3)27(35)16-19-36(33,9)37(28,10)21-31(32)41-25(4)39/h14,24,26-33,38,40H,13,15-22H2,1-12H3/t24-,26-,27?,28?,29+,30+,31-,32+,33-,35-,36-,37-/m0/s1
SMILES: CC(C)(C)OC(=O)N/C=C(\O)/O[C@H]1[C@H](CCC=C1C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H39NO5Si/c1-24(2,3)30-23(28)26-17-21(27)29-22-19(18-13-10-9-11-14-18)15-12-16-20(22)31-32(7,8)25(4,5)6/h9-11,13-15,17,20,22,27H,12,16H2,1-8H3,(H,26,28)/b21-17+/t20-,22+/m0/s1
SMILES: CC1=CC=C(N1[C@@H]2[C@H]([C@H]3[C@@H](CO[C@H](O3)C4=CC=CC=C4)O[C@H]2OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)OC)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O)C
InChI: InChI=1S/C47H53NO10/c1-31-24-25-32(2)48(31)39-40(49)41-37(29-54-45(58-41)36-22-14-7-15-23-36)56-46(39)55-30-38-42(51-26-33-16-8-4-9-17-33)43(52-27-34-18-10-5-11-19-34)44(47(50-3)57-38)53-28-35-20-12-6-13-21-35/h4-25,37-47,49H,26-30H2,1-3H3/t37-,38-,39-,40-,41-,42-,43+,44-,45-,46-,47+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C18H22N2O5/c1-13-6-2-4-8-15(13)19-17(21)12-25-18(22)11-10-14-7-3-5-9-16(14)20(23)24/h3,5,7,9-11,13,15H,2,4,6,8,12H2,1H3,(H,19,21)/b11-10+/t13-,15+/m0/s1
SMILES: C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC2=NN=C(O2)C3=CC=CO3
InChI: InChI=1S/C16H17N3O7/c1-9-5-12(20)10(11(9)7-19(22)23)6-15(21)25-8-14-17-18-16(26-14)13-3-2-4-24-13/h2-4,9-11H,5-8H2,1H3/t9-,10+,11+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)O)OC)COC(=O)/C=C/C4=CC(=C(C=C4)O)OC)O)O)O)O
InChI: InChI=1S/C31H40O15/c1-15-24(35)26(37)27(38)31(44-15)46-29-25(36)22(14-43-23(34)9-6-16-4-7-18(32)20(12-16)40-2)45-30(28(29)39)42-11-10-17-5-8-19(33)21(13-17)41-3/h4-9,12-13,15,22,24-33,35-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29-,30+,31-/m0/s1
SMILES: C[C@H]1CN(CCN1)C(=NC2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)NC4=CC5=C(C=C4)C(=O)N(C=N5)CCC6=CC=C(C=C6)F
InChI: InChI=1S/C32H41FN6O/c1-20-18-38(14-12-34-20)31(37-28-16-23-15-27(21(28)2)32(23,3)4)36-25-9-10-26-29(17-25)35-19-39(30(26)40)13-11-22-5-7-24(33)8-6-22/h5-10,17,19-21,23,27-28,34H,11-16,18H2,1-4H3,(H,36,37)/t20-,21-,23-,27+,28?/m0/s1
SMILES: CC(C)C1=CC[C@H]2C(=C1)CC[C@H]3[C@@]2(CCC[C@]3(C)C(=O)O)C
InChI: InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22)/t16-,17-,19+,20-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]
InChI: InChI=1S/C21H29N3O6/c1-14-5-3-4-6-17(14)22-20(25)15(2)30-21(26)16-7-8-18(19(13-16)24(27)28)23-9-11-29-12-10-23/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,22,25)/t14-,15-,17-/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,23-,24-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)NC2=CC=CC=N2)O)O)N
InChI: InChI=1S/C11H17N3O3/c1-6-8(12)9(15)10(16)11(17-6)14-7-4-2-3-5-13-7/h2-6,8-11,15-16H,12H2,1H3,(H,13,14)/t6-,8-,9+,10+,11-/m0/s1
SMILES: COC1=C(C(=C(C(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)C8=NC9=CC=CC=C9O8)Br)Br)O
InChI: InChI=1S/C40H26Br2Cl2FN3O7/c1-54-28-16-24(31(41)32(42)33(28)49)30-22-14-15-23-29(25(22)17-39(43)37(52)48(38(53)40(30,39)44)21-12-8-19(45)9-13-21)36(51)47(35(23)50)20-10-6-18(7-11-20)34-46-26-4-2-3-5-27(26)55-34/h2-14,16,23,25,29-30,49H,15,17H2,1H3/t23-,25+,29-,30+,39+,40-/m0/s1
SMILES: CC1(O[C@@H]2[C@H]3[C@@H]([C@H]([C@@H]2O1)OCC4=CC=CC=C4)OC(=O)N3)C
InChI: InChI=1S/C16H19NO5/c1-16(2)21-12-10-11(20-15(18)17-10)13(14(12)22-16)19-8-9-6-4-3-5-7-9/h3-7,10-14H,8H2,1-2H3,(H,17,18)/t10-,11+,12-,13-,14-/m1/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)C(=O)O
InChI: InChI=1S/C20H19NO3/c1-24-18-8-3-2-5-15(18)19-14-7-4-6-13(14)16-11-12(20(22)23)9-10-17(16)21-19/h2-6,8-11,13-14,19,21H,7H2,1H3,(H,22,23)/t13-,14+,19-/m1/s1
SMILES: CC(C)C1CC[C@]2([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
InChI: InChI=1S/C30H52/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h20-25H,9-19H2,1-8H3/t21?,22-,23+,24-,25-,27+,28+,29-,30-/m1/s1
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)Cl)C(=O)[O-]
InChI: InChI=1S/C21H19ClN2O4/c22-13-6-5-7-14(12-13)23-20(26)17-10-3-4-11-18(17)24-19(25)15-8-1-2-9-16(15)21(27)28/h1-7,10-12,15-16H,8-9H2,(H,23,26)(H,24,25)(H,27,28)/p-1/t15-,16+/m1/s1
SMILES: CCCC[C@H]1[C@@H](OC(=O)C1=C)C[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C31H46O4/c1-6-7-10-25-21(4)30(34)35-29(25)16-19(2)26-13-14-27-22(9-8-15-31(26,27)5)11-12-23-17-24(32)18-28(33)20(23)3/h11-12,19,24-29,32-33H,3-4,6-10,13-18H2,1-2,5H3/b22-11+,23-12-/t19-,24-,25-,26-,27+,28+,29+,31-/m1/s1
SMILES: CC1=C(C2=CC=CC=C2N1)[C@@H]3[C@H](C3(C)C)CC(=O)N(CC(=O)NC4=CC=C(C=C4)N5CCOCC5)C6CC6
InChI: InChI=1S/C31H38N4O3/c1-20-29(24-6-4-5-7-26(24)32-20)30-25(31(30,2)3)18-28(37)35(23-12-13-23)19-27(36)33-21-8-10-22(11-9-21)34-14-16-38-17-15-34/h4-11,23,25,30,32H,12-19H2,1-3H3,(H,33,36)/t25-,30+/m1/s1
SMILES: C[C@H](CCC(=O)NCCCNCCCNC(=O)CCC(=O)N(CCCN=C(N)N)CCCN=C(N)N)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C42H78N10O5/c1-28(32-11-12-33-31-10-9-29-26-30(53)16-17-41(29,2)34(31)27-35(54)42(32,33)3)8-13-36(55)48-20-4-18-47-19-5-21-49-37(56)14-15-38(57)52(24-6-22-50-39(43)44)25-7-23-51-40(45)46/h28-35,47,53-54H,4-27H2,1-3H3,(H,48,55)(H,49,56)(H4,43,44,50)(H4,45,46,51)/t28-,29-,30-,31+,32-,33+,34+,35+,41+,42-/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)[C@@H]6CCCN6C(=O)CNC(=O)CC7=CN=CC=C7)O
InChI: InChI=1S/C41H44N4O14/c1-19-35(50)23(44-40(55)24-8-5-11-45(24)29(49)17-43-28(48)12-20-6-4-10-42-16-20)13-30(58-19)59-26-15-41(56,27(47)18-46)14-22-32(26)39(54)34-33(37(22)52)36(51)21-7-3-9-25(57-2)31(21)38(34)53/h3-4,6-7,9-10,16,19,23-24,26,30,35,46,50,52,54,56H,5,8,11-15,17-18H2,1-2H3,(H,43,48)(H,44,55)/t19-,23-,24-,26-,30+,35+,41-/m0/s1
SMILES: C1=CC2=C(C=C1F)C3=C4C(=C5C6=C(C=CC(=C6)F)N(C5=C3N2)C7[C@@H]([C@H]([C@@H]([C@H](O7)CSCC(=O)O)O)O)O)C(=O)NC4=O
InChI: InChI=1S/C28H21F2N3O8S/c29-9-1-3-13-11(5-9)17-19-20(27(40)32-26(19)39)18-12-6-10(30)2-4-14(12)33(22(18)21(17)31-13)28-25(38)24(37)23(36)15(41-28)7-42-8-16(34)35/h1-6,15,23-25,28,31,36-38H,7-8H2,(H,34,35)(H,32,39,40)/t15-,23-,24+,25-,28?/m1/s1
SMILES: CC(=O)OCC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@H]4C3=O)OC)OC
InChI: InChI=1S/C25H24O8/c1-12(10-30-13(2)26)18-8-16-17(32-18)6-5-14-24(27)23-15-7-20(28-3)21(29-4)9-19(15)31-11-22(23)33-25(14)16/h5-7,9,18,22-23H,1,8,10-11H2,2-4H3/t18-,22+,23-/m1/s1
SMILES: CCOC(=O)[C@@H]1CS[C@@H]2N1C(=O)[C@H]([C@H]([C@@H]([C@H]2O)O)O)OS(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C18H23NO9S2/c1-3-27-18(24)11-8-29-17-14(22)12(20)13(21)15(16(23)19(11)17)28-30(25,26)10-6-4-9(2)5-7-10/h4-7,11-15,17,20-22H,3,8H2,1-2H3/t11-,12-,13-,14+,15-,17-/m0/s1
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4C=C3)C(=O)[O-]
InChI: InChI=1S/C21H18N2O3S/c24-19(16-7-3-4-8-17(16)20(25)26)23-21-22-18(12-27-21)15-10-9-13-5-1-2-6-14(13)11-15/h1-6,9-12,16-17H,7-8H2,(H,25,26)(H,22,23,24)/p-1/t16-,17+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCNC(=O)C)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O
InChI: InChI=1S/C39H49N5O6/c1-26-35(24-43-22-19-32(20-23-43)44-34-9-6-5-8-33(34)42-39(44)48)49-38(50-37(26)29-13-11-28(25-45)12-14-29)30-15-17-31(18-16-30)41-36(47)10-4-3-7-21-40-27(2)46/h5-6,8-9,11-18,26,32,35,37-38,45H,3-4,7,10,19-25H2,1-2H3,(H,40,46)(H,41,47)(H,42,48)/t26-,35+,37+,38+/m0/s1
SMILES: CCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)CCCCC(=O)O)O)O
InChI: InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h16-19,23-24H,2-13H2,1H3,(H,25,26)/t16-,17-,18-,19+/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)CNC(=O)NC45CC6CC(C4)CC(C6)C5)CN7CCC[C@H]7CO
InChI: InChI=1S/C36H49N3O5/c1-23-32(20-39-12-2-3-31(39)22-41)43-34(44-33(23)29-8-6-25(21-40)7-9-29)30-10-4-24(5-11-30)19-37-35(42)38-36-16-26-13-27(17-36)15-28(14-26)18-36/h4-11,23,26-28,31-34,40-41H,2-3,12-22H2,1H3,(H2,37,38,42)/t23-,26?,27?,28?,31+,32+,33+,34+,36?/m1/s1
SMILES: CCOC(=O)C1([C@H]2[C@@H]1O[C@@H](C2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C(=O)OCC
InChI: InChI=1S/C28H36O6Si/c1-6-31-25(29)28(26(30)32-7-2)23-18-20(34-24(23)28)19-33-35(27(3,4)5,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,20,23-24H,6-7,18-19H2,1-5H3/t20-,23+,24-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](C2([C@H]3N1C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C29H22BrNO4/c1-2-35-28(34)25-24(18-11-14-19(30)15-12-18)29(26(32)20-8-4-5-9-21(20)27(29)33)23-16-13-17-7-3-6-10-22(17)31(23)25/h3-16,23-25H,2H2,1H3/t23-,24-,25+/m0/s1
SMILES: C1C[C@@H]([C@@H](C1)N2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)F
InChI: InChI=1S/C19H16FNO2/c20-13-6-3-5-12(11-13)14-9-4-10-17(14)21-18(22)15-7-1-2-8-16(15)19(21)23/h1-3,5-8,11,14,17H,4,9-10H2/t14-,17-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)[C@@H](CC#C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C20H36O5Si/c1-11-12-14(25-26(9,10)18(2,3)4)16-17(24-20(7,8)23-16)15-13-21-19(5,6)22-15/h1,14-17H,12-13H2,2-10H3/t14-,15-,16-,17-/m1/s1
SMILES: CCCCCCCC(=O)OC[C@@H]1[C@H](OC(O1)(C)C)C2=CC(=O)OC2
InChI: InChI=1S/C18H28O6/c1-4-5-6-7-8-9-15(19)22-12-14-17(24-18(2,3)23-14)13-10-16(20)21-11-13/h10,14,17H,4-9,11-12H2,1-3H3/t14-,17-/m1/s1
SMILES: C1C2CC3CC1CC(C2)(C3)OC(=O)[C@H]4[C@H]([C@@H]4C5=CC=CC=C5)CC(=O)C6=CC=CC=C6
InChI: InChI=1S/C28H30O3/c29-24(21-7-3-1-4-8-21)14-23-25(22-9-5-2-6-10-22)26(23)27(30)31-28-15-18-11-19(16-28)13-20(12-18)17-28/h1-10,18-20,23,25-26H,11-17H2/t18?,19?,20?,23-,25-,26-,28?/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H]3[C@H]2N=C(O3)[C@@H]4C[C@H]5CN([C@@H]4C=C5)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C26H32N2O3/c1-25(2)19-11-12-26(25,3)22-21(19)31-23(27-22)18-13-17-9-10-20(18)28(14-17)24(29)30-15-16-7-5-4-6-8-16/h4-10,17-22H,11-15H2,1-3H3/t17-,18+,19+,20+,21+,22+,26-/m0/s1
SMILES: C[C@H]1CCC[C@]2([C@]13[C@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@@H]4C[NH+]5CCN(CC5)C6=CC=CC(=C6)C)C
InChI: InChI=1S/C26H36N2O3/c1-17-6-4-8-19(14-17)28-12-10-27(11-13-28)16-20-22-21(30-24(20)29)15-25(3)9-5-7-18(2)26(25)23(22)31-26/h4,6,8,14,18,20-23H,5,7,9-13,15-16H2,1-3H3/p+1/t18-,20+,21+,22+,23+,25+,26+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C4=C3N(C(=O)N(C4=O)COC)COCC5=CC=CC=C5)C6=CC=C(C=C6)OCC7=CC=CC=C7)OC(=O)C8=CC=C(C=C8)C
InChI: InChI=1S/C50H47N3O10/c1-33-14-18-38(19-15-33)48(55)61-30-43-42(63-49(56)39-20-16-34(2)17-21-39)26-44(62-43)51-27-41(37-22-24-40(25-23-37)60-29-36-12-8-5-9-13-36)45-46(51)52(50(57)53(31-58-3)47(45)54)32-59-28-35-10-6-4-7-11-35/h4-25,27,42-44H,26,28-32H2,1-3H3/t42-,43+,44+/m0/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3)C
InChI: InChI=1S/C17H19NO3/c1-8-4-3-5-12(9(8)2)18-16(19)14-10-6-11-13(7-10)21-17(20)15(11)14/h3-5,10-11,13-15H,6-7H2,1-2H3,(H,18,19)/t10-,11+,13-,14-,15+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C[C@H]3C[C@H]4C[C@H]3C=C4
InChI: InChI=1S/C21H30N2O2/c1-24-20-5-6-21(25-2)19(13-20)15-23-9-7-22(8-10-23)14-18-12-16-3-4-17(18)11-16/h3-6,13,16-18H,7-12,14-15H2,1-2H3/t16-,17-,18-/m1/s1
SMILES: C[C@@H]1[C@H](C(=O)N(N[C@@H]1C(=O)OC(C)(C)C)CC2=CC=CC=C2)CC3=CC=CC=C3
InChI: InChI=1S/C24H30N2O3/c1-17-20(15-18-11-7-5-8-12-18)22(27)26(16-19-13-9-6-10-14-19)25-21(17)23(28)29-24(2,3)4/h5-14,17,20-21,25H,15-16H2,1-4H3/t17-,20-,21+/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)CCC6CCCC6
InChI: InChI=1S/C48H65N3O9/c1-4-25-50(45(54)24-19-34-13-7-8-14-34)44-32-42(49-59-33-35-17-20-37(21-18-35)51(55)56)40-30-36(15-9-11-26-52)39(16-10-12-27-53)46-41-31-38(57-28-5-2)22-23-43(41)60-48(44,47(40)46)58-29-6-3/h5-6,17-18,20-23,30-31,34,36,39,44,46-47,52-53H,2-4,7-16,19,24-29,32-33H2,1H3/t36-,39+,44-,46+,47+,48+/m0/s1
SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)[C@H]2[C@@H](O2)C(Cl)(Cl)Cl
InChI: InChI=1S/C10H5Cl5O2/c11-4-1-2-5(6(12)3-4)7(16)8-9(17-8)10(13,14)15/h1-3,8-9H/t8-,9+/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC(=C5)OC)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl
InChI: InChI=1S/C29H21Cl2F5N2O6/c1-3-37-24(40)12-6-5-11-14(16(12)25(37)41)9-28(30)26(42)38(23-21(35)19(33)18(32)20(34)22(23)36)27(43)29(28,31)17(11)13-8-10(44-2)4-7-15(13)39/h4-5,7-8,12,14,16-17,39H,3,6,9H2,1-2H3/t12-,14+,16-,17+,28+,29-/m0/s1
SMILES: COC1=C2C(=C(C=C1)Cl)[C@@H]3C=CC[C@@H]3[C@H](N2)C4=CC=C(C=C4)Br
InChI: InChI=1S/C19H17BrClNO/c1-23-16-10-9-15(21)17-13-3-2-4-14(13)18(22-19(16)17)11-5-7-12(20)8-6-11/h2-3,5-10,13-14,18,22H,4H2,1H3/t13-,14+,18-/m1/s1
SMILES: CC(C)[C@@H]([C@H](C(=O)N1C(=S)O[C@H]2[C@@]13CC[C@H](C2)C3(C)C)Br)O
InChI: InChI=1S/C16H24BrNO3S/c1-8(2)12(19)11(17)13(20)18-14(22)21-10-7-9-5-6-16(10,18)15(9,3)4/h8-12,19H,5-7H2,1-4H3/t9-,10-,11-,12+,16-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CC2=COC3=C2C=CC(=C3)C
InChI: InChI=1S/C21H27NO4/c1-13-8-9-17-16(12-25-19(17)10-13)11-20(23)26-15(3)21(24)22-18-7-5-4-6-14(18)2/h8-10,12,14-15,18H,4-7,11H2,1-3H3,(H,22,24)/t14-,15+,18-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)CCC2=CNC3=CC=CC=C32
InChI: InChI=1S/C19H26N4OS/c1-13-6-2-4-8-16(13)21-19(25)23-22-18(24)11-10-14-12-20-17-9-5-3-7-15(14)17/h3,5,7,9,12-13,16,20H,2,4,6,8,10-11H2,1H3,(H,22,24)(H2,21,23,25)/t13-,16-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)O)O)O
InChI: InChI=1S/C29H42O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,14-15,17-21,23-26,32-35H,3-10,12-13H2,1-2H3/t15-,17?,18?,19?,20?,21?,23-,24+,25+,26-,27?,28?,29?/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCC3=CC=CC=C3)[C@]4([NH2+]1)C5=C(C=CC(=C5)F)NC4=O
InChI: InChI=1S/C22H20FN3O3/c1-12-17-18(20(28)26(19(17)27)10-9-13-5-3-2-4-6-13)22(25-12)15-11-14(23)7-8-16(15)24-21(22)29/h2-8,11-12,17-18,25H,9-10H2,1H3,(H,24,29)/p+1/t12-,17-,18+,22-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2=CC3=CC=CC=C3C=C2)CO)O)O
InChI: InChI=1S/C19H23NO6/c1-11(22)20-16-18(24)17(23)15(9-21)26-19(16)25-10-12-6-7-13-4-2-3-5-14(13)8-12/h2-8,15-19,21,23-24H,9-10H2,1H3,(H,20,22)/t15-,16-,17-,18-,19-/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@H](CC1=O)C2=CC=C(C=C2)F)[N+](=O)[O-]
InChI: InChI=1S/C13H14FNO3/c1-8-6-12(15(17)18)11(7-13(8)16)9-2-4-10(14)5-3-9/h2-5,8,11-12H,6-7H2,1H3/t8-,11-,12+/m1/s1
SMILES: C[C@H]1CC2=C(C1)C(=O)[C@H]([C@@H]2[C@]3(C(=O)C[C@H]4[C@@H](C3=O)C4(C)C)C)C
InChI: InChI=1S/C20H26O3/c1-9-6-11-12(7-9)17(22)10(2)15(11)20(5)14(21)8-13-16(18(20)23)19(13,3)4/h9-10,13,15-16H,6-8H2,1-5H3/t9-,10-,13-,15-,16-,20+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)C5=CC=C(C=C5)OC)(C4(C)C)O)OC(=O)/C=C/C6=CC7=CC=CC=C7C=C6)C)O)C)OC(=O)C
InChI: InChI=1S/C49H60O12Si/c1-10-62(11-2,12-3)61-37-26-38-48(28-57-38,60-30(5)50)42-44(59-45(54)33-20-22-35(56-9)23-21-33)49(55)27-36(29(4)40(46(49,6)7)41(52)43(53)47(37,42)8)58-39(51)24-18-31-17-19-32-15-13-14-16-34(32)25-31/h13-25,36-38,41-42,44,52,55H,10-12,26-28H2,1-9H3/b24-18+/t36-,37-,38+,41+,42-,44-,47+,48-,49+/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H](NC(=O)NC2=C)C3=C(C=C(C=C3)F)F
InChI: InChI=1S/C19H17F2N3O3/c1-10-16(18(25)23-12-4-6-13(27-2)7-5-12)17(24-19(26)22-10)14-8-3-11(20)9-15(14)21/h3-9,16-17H,1H2,2H3,(H,23,25)(H2,22,24,26)/t16-,17+/m0/s1
SMILES: C[C@]12CCC[C@@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@@H]4C[NH+]5CCCC5)CO3
InChI: InChI=1S/C19H29NO3/c1-18-5-4-6-19(12-22-19)16(18)9-13-14(11-20-7-2-3-8-20)17(21)23-15(13)10-18/h13-16H,2-12H2,1H3/p+1/t13-,14-,15-,16-,18-,19+/m1/s1
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C16H14N2O5/c1-23-12-5-4-10(18(21)22)7-11(12)17-15(19)13-8-2-3-9(6-8)14(13)16(17)20/h2-5,7-9,13-14H,6H2,1H3/t8-,9+,13+,14-
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3N)CCl
InChI: InChI=1S/C16H17ClN2O4S.C7H8O3S/c1-22-11-4-2-9(3-5-11)7-23-16(21)13-10(6-17)8-24-15-12(18)14(20)19(13)15;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,12,15H,6-8,18H2,1H3;2-5H,1H3,(H,8,9,10)/t12-,15-;/m1./s1
SMILES: C1CN2[C@@H]([C@H]1N)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CSC=C4
InChI: InChI=1S/C16H15N3O2S/c17-12-3-5-19-14(12)15(20)18-13-2-1-9(7-11(13)16(19)21)10-4-6-22-8-10/h1-2,4,6-8,12,14H,3,5,17H2,(H,18,20)/t12-,14-/m0/s1
SMILES: CCOC(=O)C1=CC=CC=C1N2C(=O)[C@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C27H21NO4/c1-2-32-27(31)19-13-7-8-14-20(19)28-25(29)23-21-15-9-3-4-10-16(15)22(24(23)26(28)30)18-12-6-5-11-17(18)21/h3-14,21-24H,2H2,1H3/t21?,22?,23-,24-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=CC(=O)NC3=O)COP(=O)(O)OP(=O)(O)O)O)NC(=O)C
InChI: InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)17(29)40-15(12(10)27)18(30)39-14-8(5-37-43(35,36)41-42(32,33)34)38-16(13(14)28)23-4-3-9(26)22-19(23)31/h3-4,8,10-17,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,35,36)(H,22,26,31)(H2,32,33,34)/t8-,10-,11-,12+,13-,14-,15+,16-,17+/m1/s1
SMILES: CC1=CC=C(C=C1)S[C@H]2CCCC[C@@]2(C[C@@H](CC=C)OC)OC
InChI: InChI=1S/C20H30O2S/c1-5-8-17(21-3)15-20(22-4)14-7-6-9-19(20)23-18-12-10-16(2)11-13-18/h5,10-13,17,19H,1,6-9,14-15H2,2-4H3/t17-,19+,20+/m1/s1
SMILES: C1CC2=C(C=CC(=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)[C@H]([C@@H]1N)O
InChI: InChI=1S/C24H25NO3/c25-21-13-11-20-19(23(21)26)12-14-22(27-15-17-7-3-1-4-8-17)24(20)28-16-18-9-5-2-6-10-18/h1-10,12,14,21,23,26H,11,13,15-16,25H2/t21-,23-/m1/s1
SMILES: C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=CC(=C4)OC)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H42O17/c1-15-25(46-16(2)35)12-23-24(32(40)43-8)13-45-33(27(15)23)51-34-30(49-19(5)38)29(48-18(4)37)28(47-17(3)36)26(50-34)14-44-31(39)20-9-21(41-6)11-22(10-20)42-7/h9-11,13,15,23,25-30,33-34H,12,14H2,1-8H3/t15-,23+,25-,26+,27+,28+,29-,30+,33-,34-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](CC(=CC1=O)C2=CC=CS2)C3=CC=C(C=C3)C
InChI: InChI=1S/C20H20O3S/c1-3-23-20(22)19-16(14-8-6-13(2)7-9-14)11-15(12-17(19)21)18-5-4-10-24-18/h4-10,12,16,19H,3,11H2,1-2H3/t16-,19+/m0/s1
SMILES: CC1=C(C=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=COC7=C(C6)C=C(C=C7)O)C)C8=CC(=NN8C)C9=C(C1=C(S9)C=CC(=C1)Cl)C)Cl
InChI: InChI=1S/C44H36Cl2N4O6S/c1-20-5-7-25(16-32(20)46)49-40(52)28-10-9-27-30(37(28)42(49)54)17-31-41(53)50(36-18-33(47-48(36)4)39-21(2)29-15-24(45)6-12-35(29)57-39)43(55)44(31,3)38(27)23-13-22-14-26(51)8-11-34(22)56-19-23/h5-9,11-12,14-16,18-19,28,30-31,37-38,51H,10,13,17H2,1-4H3/t28-,30+,31-,37-,38-,44+/m0/s1
SMILES: C[C@@]1(CCC=C2[C@H]1CC[C@H]3[C@]2(CCC[C@@]3(C)C(=O)OC)C)C=O
InChI: InChI=1S/C20H30O3/c1-18(13-21)10-5-7-15-14(18)8-9-16-19(15,2)11-6-12-20(16,3)17(22)23-4/h7,13-14,16H,5-6,8-12H2,1-4H3/t14-,16+,18-,19+,20-/m1/s1
SMILES: C1CN(C[C@@H]([C@@H]1CC2=CC=CC=C2)O)CCS(=O)(=O)C3=CC=C(C=C3)O
InChI: InChI=1S/C20H25NO4S/c22-18-6-8-19(9-7-18)26(24,25)13-12-21-11-10-17(20(23)15-21)14-16-4-2-1-3-5-16/h1-9,17,20,22-23H,10-15H2/t17-,20-/m0/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)OCC=C)CN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C33H38N4O7/c1-3-19-42-33(39)34-27-6-4-5-26(20-27)32-43-30(23(2)31(44-32)25-9-7-24(22-38)8-10-25)21-35-15-17-36(18-16-35)28-11-13-29(14-12-28)37(40)41/h3-14,20,23,30-32,38H,1,15-19,21-22H2,2H3,(H,34,39)/t23-,30+,31+,32+/m0/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=C8OCCO)C(=O)N(C7=O)C(=O)N)C
InChI: InChI=1S/C37H34ClN5O7S/c1-17-22-14-18(38)8-11-27(22)51-31(17)25-16-28(41(3)40-25)42-33(46)24-15-23-19(9-10-21-29(23)34(47)43(32(21)45)36(39)49)30(37(24,2)35(42)48)20-6-4-5-7-26(20)50-13-12-44/h4-9,11,14,16,21,23-24,29-30,44H,10,12-13,15H2,1-3H3,(H2,39,49)/t21-,23+,24-,29-,30+,37+/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCCN(C(=O)CCN(CCOC(=O)CCCOC(=O)C3=C(C(=CC=C3)O)O)CCOC(=O)CCCOC(=O)C4=C(C(=CC=C4)O)O)O)C(=O)OC)C
InChI: InChI=1S/C43H56N4O18S/c1-43(2)37(42(59)61-3)47-38(56)34(39(47)66-43)44-30(50)14-4-5-18-46(60)31(51)17-19-45(20-24-62-32(52)15-8-22-64-40(57)26-10-6-12-28(48)35(26)54)21-25-63-33(53)16-9-23-65-41(58)27-11-7-13-29(49)36(27)55/h6-7,10-13,34,37,39,48-49,54-55,60H,4-5,8-9,14-25H2,1-3H3,(H,44,50)/t34-,37+,39-/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C17H22N2O5S/c1-13-11-15(13)17(21)24-12-16(20)18-7-9-19(10-8-18)25(22,23)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3/t13-,15+/m1/s1
SMILES: CCCCCC[C@@H]([C@@H]1C/C=C\[C@@H]2[C@@H](CCC(=O)O1)OC(O2)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C26H38O5/c1-4-5-6-10-14-21(28-19-20-12-8-7-9-13-20)22-15-11-16-23-24(17-18-25(27)29-22)31-26(2,3)30-23/h7-9,11-13,16,21-24H,4-6,10,14-15,17-19H2,1-3H3/b16-11-/t21-,22-,23+,24+/m0/s1
SMILES: C[C@H]1CCC[C@@H](N1C(=O)OC(C)(C)C)/C=C/[C@@H]2[C@H]3CCCCC3=C[C@H]4[C@@H]2[C@@H](OC4=O)C
InChI: InChI=1S/C26H39NO4/c1-16-9-8-11-19(27(16)25(29)31-26(3,4)5)13-14-21-20-12-7-6-10-18(20)15-22-23(21)17(2)30-24(22)28/h13-17,19-23H,6-12H2,1-5H3/b14-13+/t16-,17-,19+,20-,21+,22-,23+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]([C@H]3C(=O)OC[C@@H](N3O2)C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C21H21NO6/c1-25-15-10-8-14(9-11-15)19-17(20(23)26-2)18-21(24)27-12-16(22(18)28-19)13-6-4-3-5-7-13/h3-11,16-19H,12H2,1-2H3/t16-,17-,18+,19-/m1/s1
SMILES: C1[C@H]([C@H]2CO[C@@H](C1=O)O2)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4
InChI: InChI=1S/C15H11F3N2O4S/c16-15(17,18)12-4-7(9-2-1-3-22-9)19-14(20-12)25-11-5-8(21)13-23-6-10(11)24-13/h1-4,10-11,13H,5-6H2/t10-,11-,13-/m1/s1