EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C=C[C@H]([C@H]2C=CC=C[C@@H]1C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C17H22O7/c18-8-12-14(20)15(21)16(22)17(24-12)23-11-7-3-5-9-4-1-2-6-10(11)13(9)19/h1-4,6-7,9-12,14-18,20-22H,5,8H2/t9-,10+,11+,12+,14+,15-,16+,17+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1N[C@@H](C)C(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC
InChI: InChI=1S/C23H28N2O3/c1-14-8-4-6-10-18(14)24-15(2)23(26)25-19-13-21-17(12-22(19)27-3)16-9-5-7-11-20(16)28-21/h5,7,9,11-15,18,24H,4,6,8,10H2,1-3H3,(H,25,26)/t14-,15-,18-/m0/s1
SMILES: C1C=C2[C@H](C[NH+]1CCC3=CC=CC=C3)[C@H](C(C(=N)C2C#N)(C#N)C#N)C4=CC=CS4
InChI: InChI=1S/C24H21N5S/c25-13-19-18-9-11-29(10-8-17-5-2-1-3-6-17)14-20(18)22(21-7-4-12-30-21)24(15-26,16-27)23(19)28/h1-7,9,12,19-20,22,28H,8,10-11,14H2/p+1/t19?,20-,22-/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OP(=O)([C@@H](C2=CC=CC=C2F)O)O[C@@H]3C[C@H](CC[C@@H]3C(C)C)C)C(C)C
InChI: InChI=1S/C27H44FO4P/c1-17(2)21-13-11-19(5)15-25(21)31-33(30,27(29)23-9-7-8-10-24(23)28)32-26-16-20(6)12-14-22(26)18(3)4/h7-10,17-22,25-27,29H,11-16H2,1-6H3/t19-,20+,21-,22-,25-,26-,27+,33?/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC=CC(=C6)[N+](=O)[O-])CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)C8=CC=C(C=C8)C#N
InChI: InChI=1S/C55H55FN4O9/c1-2-29-66-55-51(59(35-38-19-23-42(56)24-20-38)54(63)40-21-17-37(34-57)18-22-40)33-49(58-67-36-39-11-4-3-5-12-39)47-30-41(13-6-8-27-61)46(16-7-9-28-62)52(53(47)55)48-32-45(25-26-50(48)69-55)68-44-15-10-14-43(31-44)60(64)65/h2-5,10-12,14-15,17-26,30-32,41,46,51-53,61-62H,1,6-9,13,16,27-29,33,35-36H2/t41-,46+,51-,52+,53+,55+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C17H26N2O3S/c1-13-7-9-15(10-8-13)23(21,22)18-12-11-17(20)19-16-6-4-3-5-14(16)2/h7-10,14,16,18H,3-6,11-12H2,1-2H3,(H,19,20)/t14-,16-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@]([C@H]([C@H]([C@H](C2(C)C)OC(=O)C)OC(=O)C)OC(=O)C3=CC=CC=C3)([C@@H]4[C@@]1(C(=O)[C@@](CC4=O)(C)C=C)O)C
InChI: InChI=1S/C33H40O11/c1-9-31(7)16-21(37)25-32(8)22(15-23(41-17(2)34)33(25,40)29(31)39)30(5,6)26(43-19(4)36)24(42-18(3)35)27(32)44-28(38)20-13-11-10-12-14-20/h9-14,22-27,40H,1,15-16H2,2-8H3/t22-,23+,24-,25+,26+,27-,31-,32-,33-/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@@H]2CN(CC3)C)C(=O)C4=CC(=CC(=C4)Cl)Cl
InChI: InChI=1S/C20H20Cl2N2O/c1-12-3-4-18-16(7-12)17-11-23(2)6-5-19(17)24(18)20(25)13-8-14(21)10-15(22)9-13/h3-4,7-10,17,19H,5-6,11H2,1-2H3/t17-,19-/m1/s1
SMILES: C[C@H](CSC1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2(CCC[C@@H]3O)C
InChI: InChI=1S/C19H28OS/c1-14(13-21-15-7-4-3-5-8-15)16-10-11-17-18(20)9-6-12-19(16,17)2/h3-5,7-8,14,16-18,20H,6,9-13H2,1-2H3/t14-,16-,17+,18+,19-/m1/s1
SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(=O)[O-])O)O)O)O
InChI: InChI=1S/C21H18O11/c22-9-6-11(8-4-2-1-3-5-8)30-18-13(9)10(23)7-12(14(18)24)31-21-17(27)15(25)16(26)19(32-21)20(28)29/h1-7,15-17,19,21,23-27H,(H,28,29)/p-1/t15-,16+,17+,19-,21-/m1/s1
SMILES: C[C@H]1[C@H]2C[C@H]([C@@H](C1=O)C[C@@]2(C)/C(=C/[N+]#N)/O)C(=C)C
InChI: InChI=1S/C15H20N2O2/c1-8(2)10-5-12-9(3)14(19)11(10)6-15(12,4)13(18)7-17-16/h7,9-12H,1,5-6H2,2-4H3/p+1/b13-7-/t9-,10-,11-,12+,15+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[As](C2=CC=CC=C2)C(C)C)C(C)C
InChI: InChI=1S/C19H31AsO/c1-14(2)18-12-11-16(5)13-19(18)21-20(15(3)4)17-9-7-6-8-10-17/h6-10,14-16,18-19H,11-13H2,1-5H3/t16-,18+,19-,20?/m1/s1
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@@H](O2)C/C=C(/C[C@H](/C=C/C=C(\[C@@]4(C[C@@H](C(=C[C@H]4C(=O)O3)C)OC)O)/CO)C)\C)O[C@@H]1C
InChI: InChI=1S/C32H48O7/c1-20-8-7-9-25(19-33)32(35)18-29(36-6)23(4)15-28(32)30(34)37-27-16-26(11-10-21(2)14-20)39-31(17-27)13-12-22(3)24(5)38-31/h7-10,15,20,22,24,26-29,33,35H,11-14,16-19H2,1-6H3/b8-7+,21-10+,25-9-/t20-,22-,24+,26-,27-,28-,29-,31-,32+/m0/s1
SMILES: CC1=CC(=O)O[C@H]2[C@H]1C=CC(=C2)OCCCCCCCCOC3=C[C@@H]4[C@H](C=C3)C(=CC(=O)O4)C
InChI: InChI=1S/C28H34O6/c1-19-15-27(29)33-25-17-21(9-11-23(19)25)31-13-7-5-3-4-6-8-14-32-22-10-12-24-20(2)16-28(30)34-26(24)18-22/h9-12,15-18,23-26H,3-8,13-14H2,1-2H3/t23-,24+,25-,26-/m1/s1
SMILES: C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O
InChI: InChI=1S/C23H26O11/c24-11-18-22(34-19(29)6-3-12-1-4-14(25)16(27)9-12)20(30)21(31)23(33-18)32-8-7-13-2-5-15(26)17(28)10-13/h1-6,9-10,18,20-28,30-31H,7-8,11H2/b6-3+/t18-,20+,21-,22-,23-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=C(O5)CO)C(=O)N(C4=O)C6=CC=C(C=C6)C=CC7=C(C=CC(=C7)OC)OC
InChI: InChI=1S/C38H33NO8/c1-20-16-30(41)34-29(36(20)42)18-28-26(35(34)32-15-11-25(19-40)47-32)12-13-27-33(28)38(44)39(37(27)43)23-8-5-21(6-9-23)4-7-22-17-24(45-2)10-14-31(22)46-3/h4-12,14-17,27-28,33,35,40H,13,18-19H2,1-3H3/t27-,28+,33-,35+/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)CN2C[C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C2=O)C(=O)O
InChI: InChI=1S/C19H21NO7/c1-24-12-6-10(7-13(25-2)16(12)26-3)8-20-9-19-5-4-11(27-19)14(18(22)23)15(19)17(20)21/h4-7,11,14-15H,8-9H2,1-3H3,(H,22,23)/t11-,14+,15-,19-/m1/s1
SMILES: C1CC2[C@H]3[C@@H]([C@@H](N2C1)C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)CC5=CC(=CC=C5)F
InChI: InChI=1S/C23H23FN4O2/c24-16-4-1-3-13(11-16)12-28-22(29)18-17-5-2-10-27(17)20(19(18)23(28)30)14-6-8-15(9-7-14)21(25)26/h1,3-4,6-9,11,17-20H,2,5,10,12H2,(H3,25,26)/t17?,18-,19-,20-/m0/s1
SMILES: C[C@H]1[C@@H](CC2=CC3=C(C=C2[C@H]1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)COCOC
InChI: InChI=1S/C24H30O7/c1-14-17(11-29-12-25-2)6-15-7-19-20(31-13-30-19)10-18(15)23(14)16-8-21(26-3)24(28-5)22(9-16)27-4/h7-10,14,17,23H,6,11-13H2,1-5H3/t14-,17-,23+/m0/s1
SMILES: C1[C@H]([C@H]([C@H]([C@@H](O1)C#N)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C27H21NO7/c28-16-21-23(34-26(30)19-12-6-2-7-13-19)24(35-27(31)20-14-8-3-9-15-20)22(17-32-21)33-25(29)18-10-4-1-5-11-18/h1-15,21-24H,17H2/t21-,22+,23-,24+/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CCP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)O
InChI: InChI=1S/C33H34N5O7P/c1-33(41)28(39)26(17-18-46(42,43-19-23-11-5-2-6-12-23)44-20-24-13-7-3-8-14-24)45-32(33)38-22-36-27-29(34-21-35-30(27)38)37-31(40)25-15-9-4-10-16-25/h2-16,21-22,26,28,32,39,41H,17-20H2,1H3,(H,34,35,37,40)/t26-,28-,32-,33-/m1/s1
SMILES: C[C@]12CC(=O)CC[C@]1(CCCC2CC(=O)OC)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H38O4Si/c1-19(2,3)26(6,7)25-15-21-11-8-9-16(13-18(23)24-5)20(21,4)14-17(22)10-12-21/h16H,8-15H2,1-7H3/t16?,20-,21-/m1/s1
SMILES: CN1C(=O)[C@H]2[C@H](C1=O)[C@]([NH2+][C@H]2C3=CC=C(C=C3)F)(CC4=CC=C(C=C4)O)C(=O)OC
InChI: InChI=1S/C22H21FN2O5/c1-25-19(27)16-17(20(25)28)22(21(29)30-2,11-12-3-9-15(26)10-4-12)24-18(16)13-5-7-14(23)8-6-13/h3-10,16-18,24,26H,11H2,1-2H3/p+1/t16-,17+,18-,22+/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=CC=C6O)C(=O)N(C5=O)C7=CC=C(C=C7)N8CCOCC8)C(=O)N(C3=O)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C43H38Cl2N4O7/c1-55-28-13-6-24(7-14-28)43-33(40(52)49(42(43)54)46-35-17-8-25(44)22-34(35)45)23-32-29(38(43)30-4-2-3-5-36(30)50)15-16-31-37(32)41(53)48(39(31)51)27-11-9-26(10-12-27)47-18-20-56-21-19-47/h2-15,17,22,31-33,37-38,46,50H,16,18-21,23H2,1H3/t31-,32+,33-,37-,38+,43+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=CC5=CC=CC=C5N4[C@H]([C@H]3C2=O)C(=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C28H21BrN2O3/c1-16-6-13-20(14-7-16)30-27(33)23-22-15-10-17-4-2-3-5-21(17)31(22)25(24(23)28(30)34)26(32)18-8-11-19(29)12-9-18/h2-15,22-25H,1H3/t22-,23-,24-,25+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC3=CC4=CC=CC=C4N=C3Cl
InChI: InChI=1S/C21H22ClN3O4/c1-13-6-4-5-9-21(13)19(27)25(20(28)24-21)11-17(26)29-12-15-10-14-7-2-3-8-16(14)23-18(15)22/h2-3,7-8,10,13H,4-6,9,11-12H2,1H3,(H,24,28)/t13-,21+/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)C3=CC4=C(C=C3)OCO4)CCCO
InChI: InChI=1S/C28H41NO10/c1-2-36-28-22(4-3-9-30)23(21-5-6-24-25(18-21)38-20-37-24)19-26(39-28)27(31)29-7-10-32-12-14-34-16-17-35-15-13-33-11-8-29/h5-6,18-19,22-23,28,30H,2-4,7-17,20H2,1H3/t22-,23+,28+/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC2=CC3=C(C=CC(=C3)OC)C=C2)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C25H24N2O8/c1-15-3-8-23(35-25(28)18-10-19(26(29)30)14-20(11-18)27(31)32)24(9-15)34-22-7-5-16-4-6-21(33-2)12-17(16)13-22/h4-7,10-15,23-24H,3,8-9H2,1-2H3/t15-,23+,24+/m0/s1
SMILES: C1[C@@H]2C=C[C@@H](O2)[C@@H](C1=O)N3[C@@H](COC3=O)CC4=CC=CC=C4
InChI: InChI=1S/C17H17NO4/c19-14-9-13-6-7-15(22-13)16(14)18-12(10-21-17(18)20)8-11-4-2-1-3-5-11/h1-7,12-13,15-16H,8-10H2/t12-,13+,15-,16-/m1/s1
SMILES: CO[C@H]1[C@@H](C[C@H](O1)[C@@H](CO)O)NC(=O)C2=CC=CC=C2
InChI: InChI=1S/C14H19NO5/c1-19-14-10(7-12(20-14)11(17)8-16)15-13(18)9-5-3-2-4-6-9/h2-6,10-12,14,16-17H,7-8H2,1H3,(H,15,18)/t10-,11-,12+,14-/m1/s1
SMILES: CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC=C(C=C3)OCCOCC[N+](CC)(CC)CC)CCCC
InChI: InChI=1S/C36H59N2O5S/c1-8-13-21-36(22-14-9-2)28-44(40,41)33-20-17-30(37(6)7)27-32(33)34(35(36)39)29-15-18-31(19-16-29)43-26-25-42-24-23-38(10-3,11-4)12-5/h15-20,27,34-35,39H,8-14,21-26,28H2,1-7H3/q+1/t34-,35-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](C=C[C@@H]2[C@@H]1[C@H](C[C@@](C2)(C)CO)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C22H40O4Si/c1-9-25-20(24)18-15(2)10-11-16-12-22(6,14-23)13-17(19(16)18)26-27(7,8)21(3,4)5/h10-11,15-19,23H,9,12-14H2,1-8H3/t15-,16-,17-,18-,19+,22-/m0/s1
SMILES: CC1=CC2=C(C=C1)N3[C@H](C=C2)[C@@]4([C@H]([C@H]3C(=O)C5=CC=C(C=C5)Cl)C(=O)C6=CC=CC=C6Cl)C7=CC=CC=C7NC4=O
InChI: InChI=1S/C34H24Cl2N2O3/c1-19-10-16-27-21(18-19)13-17-28-34(24-7-3-5-9-26(24)37-33(34)41)29(32(40)23-6-2-4-8-25(23)36)30(38(27)28)31(39)20-11-14-22(35)15-12-20/h2-18,28-30H,1H3,(H,37,41)/t28-,29-,30+,34-/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1N2C3=NC(=NC(=C3N=N2)N)N)O)O)CO
InChI: InChI=1S/C10H15N7O3/c11-8-5-9(14-10(12)13-8)17(16-15-5)4-1-3(2-18)6(19)7(4)20/h3-4,6-7,18-20H,1-2H2,(H4,11,12,13,14)/t3-,4-,6+,7+/m1/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2C3=CC=CC=C3F)(C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C22H21FN2O4/c1-3-25-19(26)16-17(20(25)27)22(21(28)29-2,13-9-5-4-6-10-13)24-18(16)14-11-7-8-12-15(14)23/h4-12,16-18,24H,3H2,1-2H3/p+1/t16-,17-,18-,22+/m0/s1
SMILES: C=CCO[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)CO[C@@H](O2)C3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]5[C@H](O4)CO[C@@H](O5)C6=CC=CC=C6)OC(=O)CCl)N=[N+]=[N-])OCC7=CC=CC=C7
InChI: InChI=1S/C38H40ClN3O11/c1-2-18-44-38-34(45-20-23-12-6-3-7-13-23)33(31-27(49-38)22-47-36(52-31)25-16-10-5-11-17-25)53-37-29(41-42-40)32(50-28(43)19-39)30-26(48-37)21-46-35(51-30)24-14-8-4-9-15-24/h2-17,26-27,29-38H,1,18-22H2/t26-,27-,29-,30+,31+,32-,33+,34-,35+,36+,37+,38-/m1/s1
SMILES: CC(C)N(C(C)C)C(=O)OC/C(=C(/C(=O)OC)\N1[C@@H]([C@H](C1=O)NC(=O)C2=CC=CC=C2)SC)/COC(C)(C)C
InChI: InChI=1S/C28H41N3O7S/c1-17(2)30(18(3)4)27(35)37-15-20(16-38-28(5,6)7)22(26(34)36-8)31-24(33)21(25(31)39-9)29-23(32)19-13-11-10-12-14-19/h10-14,17-18,21,25H,15-16H2,1-9H3,(H,29,32)/b22-20+/t21-,25+/m0/s1
SMILES: CC(=C)[C@@H]1CCC2([C@H]1[C@H]3CCC4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)NCCCCCCCCCCC(=O)O
InChI: InChI=1S/C47H77NO7/c1-31(2)32-21-26-47(40(52)48-29-17-15-13-11-10-12-14-16-18-37(49)50)28-27-45(8)33(39(32)47)19-20-35-44(7)24-23-36(55-38(51)30-42(3,4)41(53)54)43(5,6)34(44)22-25-46(35,45)9/h32-36,39H,1,10-30H2,2-9H3,(H,48,52)(H,49,50)(H,53,54)/t32-,33+,34-,35?,36?,39+,44-,45+,46+,47?/m0/s1
SMILES: CC(=O)C1=CC2=C(C[C@H]3[C@H]4[C@@]2(CCCC4)CCN3CC5CC5)C=C1
InChI: InChI=1S/C22H29NO/c1-15(24)17-7-8-18-13-21-19-4-2-3-9-22(19,20(18)12-17)10-11-23(21)14-16-5-6-16/h7-8,12,16,19,21H,2-6,9-11,13-14H2,1H3/t19-,21-,22+/m0/s1
SMILES: CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C22H30N2O4/c1-3-24(4-2)22(27)17-6-5-7-19(12-17)23-20(25)14-28-21(26)13-18-11-15-8-9-16(18)10-15/h5-7,12,15-16,18H,3-4,8-11,13-14H2,1-2H3,(H,23,25)/t15-,16+,18-/m0/s1
SMILES: C[C@@H](CCC1(C[C@H]([C@@H]([C@H](O1)CO)Cl)OC)O)C2(C[C@@H]([C@@H](O2)CCOCC3=CC=CC=C3)O)O
InChI: InChI=1S/C24H37ClO8/c1-16(8-10-23(28)13-20(30-2)22(25)21(14-26)32-23)24(29)12-18(27)19(33-24)9-11-31-15-17-6-4-3-5-7-17/h3-7,16,18-22,26-29H,8-15H2,1-2H3/t16-,18-,19-,20+,21+,22-,23?,24?/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)C3=CC=C(C=C3)Br)C(=O)OC.C(=C/C(=O)O)\C(=O)O
InChI: InChI=1S/C16H20BrNO2.C4H4O4/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10;5-3(6)1-2-4(7)8/h3-6,12-15H,7-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-,13+,14+,15+;/m0./s1
SMILES: C[C@H]1[C@H](N(C(=O)N1C)C=C=C([C@H](C2=CC=C(C=C2)OC)O)[Si](C)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C25H32N2O3Si/c1-18-23(19-10-8-7-9-11-19)27(25(29)26(18)2)17-16-22(31(4,5)6)24(28)20-12-14-21(30-3)15-13-20/h7-15,17-18,23-24,28H,1-6H3/t16?,18-,23-,24-/m0/s1
SMILES: C[C@@H]1[C@@H](C[C@@H](N[C@H]1C2=CC=CC=C2)C3=CC=CC=C3)O
InChI: InChI=1S/C18H21NO/c1-13-17(20)12-16(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15/h2-11,13,16-20H,12H2,1H3/t13-,16-,17-,18-/m1/s1
SMILES: CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(C4=C(C=CC(=C4)Cl)NC3=O)N[C@H]2C(C)C
InChI: InChI=1S/C20H24ClN3O3/c1-5-10(4)24-17(25)14-15(18(24)26)20(23-16(14)9(2)3)12-8-11(21)6-7-13(12)22-19(20)27/h6-10,14-16,23H,5H2,1-4H3,(H,22,27)/t10-,14-,15-,16-,20+/m0/s1
SMILES: C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]([C@@H](N2[C@@H]([C@]13C4=C(C=CC(=C4)C#CC5=CCCCC5)NC3=O)C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C46H43N3O6/c1-2-25-47-43(51)38-40-44(52)55-41(33-17-10-5-11-18-33)39(32-15-8-4-9-16-32)49(40)42(34-19-12-20-35(29-34)54-27-26-50)46(38)36-28-31(23-24-37(36)48-45(46)53)22-21-30-13-6-3-7-14-30/h2,4-5,8-13,15-20,23-24,28-29,38-42,50H,1,3,6-7,14,25-27H2,(H,47,51)(H,48,53)/t38-,39-,40-,41+,42+,46-/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(=C4)CNC(=O)CCCC(=O)O)CN(CC=C)C5CCCC5
InChI: InChI=1S/C39H48N2O6/c1-3-22-41(34-10-4-5-11-34)25-35-27(2)38(31-16-14-28(26-42)15-17-31)47-39(46-35)32-20-18-30(19-21-32)33-9-6-8-29(23-33)24-40-36(43)12-7-13-37(44)45/h3,6,8-9,14-21,23,27,34-35,38-39,42H,1,4-5,7,10-13,22,24-26H2,2H3,(H,40,43)(H,44,45)/t27-,35+,38+,39+/m0/s1
SMILES: C[C@@]1(C2=CC(=C(C=C2CCO1)OC)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4)C(F)(F)F.C1=CC=C(C=C1)[C@@H](C(=O)O)O
InChI: InChI=1S/C24H29F3N2O2.C8H8O3/c1-23(24(25,26)27)19-13-18(21(30-2)14-17(19)10-12-31-23)15-29-20-9-6-11-28-22(20)16-7-4-3-5-8-16;9-7(8(10)11)6-4-2-1-3-5-6/h3-5,7-8,13-14,20,22,28-29H,6,9-12,15H2,1-2H3;1-5,7,9H,(H,10,11)/t20-,22-,23+;7-/m00/s1
SMILES: CC[C@@H]1[C@@](C2C(/C(=N/C(=O)OC)/C(C[C@](C([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3C([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=C\C=C\C4=CC=CC=C4)/CO2)C)C)C)(C)O
InChI: InChI=1S/C43H64N2O11/c1-12-33-43(8,50)38-27(4)34(44-41(49)51-11)25(2)22-42(7,53-24-31(23-52-38)20-16-19-30-17-14-13-15-18-30)37(28(5)35(46)29(6)39(48)55-33)56-40-36(47)32(45(9)10)21-26(3)54-40/h13-20,25-29,32-33,36-38,40,47,50H,12,21-24H2,1-11H3/b19-16+,31-20-,44-34+/t25?,26-,27?,28+,29-,32+,33-,36?,37?,38?,40+,42-,43-/m1/s1
SMILES: C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC#C)(C)C)O)C2=CC3=C(C=C2)SC(=N3)C)/C
InChI: InChI=1S/C30H39NO5S/c1-7-9-22-28(34)19(3)11-8-10-18(2)12-14-24(21-13-15-25-23(16-21)31-20(4)37-25)36-27(33)17-26(32)30(5,6)29(22)35/h1,12-13,15-16,19,22,24,26,28,32,34H,8-11,14,17H2,2-6H3/b18-12-/t19-,22+,24-,26-,28-/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]2[C@H](C(=N)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N/OCC4=CC5=C(C=C4)C=NN5)/CO2)C)C)C)(C)O
InChI: InChI=1S/C40H61N5O10/c1-11-31-40(8,49)36-23(4)32(41)21(2)16-39(7,51-20-28(19-50-36)44-52-18-26-12-13-27-17-42-43-29(27)15-26)35(24(5)33(46)25(6)37(48)54-31)55-38-34(47)30(45(9)10)14-22(3)53-38/h12-13,15,17,21-25,30-31,34-36,38,41,47,49H,11,14,16,18-20H2,1-10H3,(H,42,43)/b41-32?,44-28+/t21-,22-,23+,24+,25-,30+,31-,34-,35-,36+,38+,39-,40-/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H](N1)C(=O)O)CC(=O)O)C2=CNC(=O)C=C2
InChI: InChI=1S/C12H14N2O5/c15-9-2-1-6(4-13-9)8-5-14-11(12(18)19)7(8)3-10(16)17/h1-2,4,7-8,11,14H,3,5H2,(H,13,15)(H,16,17)(H,18,19)/t7-,8+,11-/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)OCCSC5=CC=CC=C5)CCCCO)CCCCO)OCC=C)N(CCOCCO)C(=O)OCCOCC6=CC=CC=C6
InChI: InChI=1S/C53H72N2O11S/c1-5-28-64-53-48(55(24-29-60-30-27-58)51(59)63-32-31-61-38-39-16-8-6-9-17-39)37-46(54-66-52(2,3)4)44-35-40(18-12-14-25-56)43(21-13-15-26-57)49(50(44)53)45-36-41(22-23-47(45)65-53)62-33-34-67-42-19-10-7-11-20-42/h5-11,16-17,19-20,22-23,35-36,40,43,48-50,56-58H,1,12-15,18,21,24-34,37-38H2,2-4H3/t40-,43+,48-,49+,50+,53+/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2CC(=O)N=C4C=CC=CN4O)CCC5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C26H35N3O3/c1-25-13-11-20-18(8-10-21-26(20,2)14-12-24(31)28(21)3)19(25)9-7-17(25)16-23(30)27-22-6-4-5-15-29(22)32/h4-6,12,14-15,17-21,32H,7-11,13,16H2,1-3H3/t17-,18?,19?,20?,21?,25-,26-/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@H]([C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI: InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18-,20+,21+,22+,23-,24-/m1/s1
SMILES: C1COC[C@@H]1NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1
SMILES: CCOC1=CC=CC=C1[C@@H]2[C@H]3CCCC[C@]3(CC[NH+]2CC#N)O
InChI: InChI=1S/C19H26N2O2/c1-2-23-17-9-4-3-7-15(17)18-16-8-5-6-10-19(16,22)11-13-21(18)14-12-20/h3-4,7,9,16,18,22H,2,5-6,8,10-11,13-14H2,1H3/p+1/t16-,18-,19-/m1/s1
SMILES: C[C@@H]1CC(=CC[C@@H]1/C=N/NC2=NC3=C(C4=CC=CC(=C4N3)C)N=N2)CCC=C(C)C
InChI: InChI=1S/C24H30N6/c1-15(2)7-5-9-18-11-12-19(17(4)13-18)14-25-29-24-27-23-22(28-30-24)20-10-6-8-16(3)21(20)26-23/h6-8,10-11,14,17,19H,5,9,12-13H2,1-4H3,(H2,26,27,29,30)/b25-14+/t17-,19-/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)O)OCC=C)CCCCO)CCCCO)S(=O)(=O)C5=CC=C(C=C5)NC(=O)C
InChI: InChI=1S/C40H55N3O9S/c1-5-20-43(53(48,49)31-17-14-29(15-18-31)41-27(4)46)37-26-35(42-51-7-3)33-24-28(12-8-10-21-44)32(13-9-11-22-45)38-34-25-30(47)16-19-36(34)52-40(37,39(33)38)50-23-6-2/h6,14-19,24-25,28,32,37-39,44-45,47H,2,5,7-13,20-23,26H2,1,3-4H3,(H,41,46)/t28-,32+,37-,38+,39+,40+/m0/s1
SMILES: CC(C)OC(=O)C1=C(S[C@H]([C@H]1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)N
InChI: InChI=1S/C21H21NO3S/c1-13(2)25-21(24)17-16(14-9-5-3-6-10-14)19(26-20(17)22)18(23)15-11-7-4-8-12-15/h3-13,16,19H,22H2,1-2H3/t16-,19+/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)OCC=C)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H26N2O7S/c1-3-14-34-27(33)28-21-24(31)29-22(20(15-35-17(2)30)16-37-25(21)29)26(32)36-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h3-13,21,23,25H,1,14-16H2,2H3,(H,28,33)/t21-,25-/m1/s1
SMILES: CC1=C(C(=O)N(C1=O)[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OCC=C)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C48H55NO15/c1-7-23-56-48-44(64-47-39(49-45(53)29(2)30(3)46(49)54)42(61-33(6)52)41(60-32(5)51)38(62-47)28-57-31(4)50)43(59-26-36-21-15-10-16-22-36)40(58-25-35-19-13-9-14-20-35)37(63-48)27-55-24-34-17-11-8-12-18-34/h7-22,37-44,47-48H,1,23-28H2,2-6H3/t37-,38-,39-,40-,41-,42-,43+,44+,47+,48+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCCOC)N=C(S3)NC(=O)C4=CC=CS4)(C)CO)O
InChI: InChI=1S/C24H33N3O5S2/c1-23-7-6-18(29)24(2,13-28)17(23)12-16-20(14(23)11-19(30)25-8-9-32-3)26-22(34-16)27-21(31)15-5-4-10-33-15/h4-5,10,14,17-18,28-29H,6-9,11-13H2,1-3H3,(H,25,30)(H,26,27,31)/t14-,17+,18-,23+,24+/m1/s1
SMILES: C[C@@H]1CCC=C([C@@]1(C)CC/C(=C/CC/C(=C/CS(=O)(=O)CCN=C(N)N)/C)/C)C
InChI: InChI=1S/C23H41N3O2S/c1-18(12-14-23(5)20(3)10-7-11-21(23)4)8-6-9-19(2)13-16-29(27,28)17-15-26-22(24)25/h8,10,13,21H,6-7,9,11-12,14-17H2,1-5H3,(H4,24,25,26)/b18-8+,19-13+/t21-,23-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C15H21N3O2S/c1-10-4-3-5-14(11(10)2)17-15(21)16-12-6-8-13(9-7-12)18(19)20/h6-11,14H,3-5H2,1-2H3,(H2,16,17,21)/t10-,11-,14+/m1/s1
SMILES: CCOC(=O)CCCC/C=C\[C@@H]([C@H]1[C@@H](CC(=O)[C@H]1CCC(=O)OCC)O[Si](C)(C)C(C)(C)C)SC2=CC=CC=C2
InChI: InChI=1S/C32H50O6SSi/c1-8-36-29(34)20-16-11-10-15-19-28(39-24-17-13-12-14-18-24)31-25(21-22-30(35)37-9-2)26(33)23-27(31)38-40(6,7)32(3,4)5/h12-15,17-19,25,27-28,31H,8-11,16,20-23H2,1-7H3/b19-15-/t25-,27-,28+,31-/m1/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)/N=C\C4=CC=C(C=C4)OCC5=CC=CC=C5C#N
InChI: InChI=1S/C25H21N3O3/c26-13-19-3-1-2-4-20(19)15-31-21-11-5-16(6-12-21)14-27-28-24(29)22-17-7-8-18(10-9-17)23(22)25(28)30/h1-8,11-12,14,17-18,22-23H,9-10,15H2/b27-14-/t17-,18+,22-,23-/m0/s1
SMILES: C[C@@]12CCC=C(N1[C@H]([C@@H](O2)C3=CC=CC=C3)COC)C#N
InChI: InChI=1S/C17H20N2O2/c1-17-10-6-9-14(11-18)19(17)15(12-20-2)16(21-17)13-7-4-3-5-8-13/h3-5,7-9,15-16H,6,10,12H2,1-2H3/t15-,16-,17+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)O[C@@H](C)C(=O)NC3=CC=NN3C(C)C
InChI: InChI=1S/C20H29N5O5/c1-12(2)25-15(8-10-21-25)22-17(27)14(4)30-16(26)11-24-18(28)20(23-19(24)29)9-6-5-7-13(20)3/h8,10,12-14H,5-7,9,11H2,1-4H3,(H,22,27)(H,23,29)/t13-,14+,20-/m1/s1
SMILES: CCOC(=O)C1(CC(=C)[C@@H]([C@H]1C)C(=O)C2=CC=CC=C2)C(=O)OCC
InChI: InChI=1S/C20H24O5/c1-5-24-18(22)20(19(23)25-6-2)12-13(3)16(14(20)4)17(21)15-10-8-7-9-11-15/h7-11,14,16H,3,5-6,12H2,1-2,4H3/t14-,16+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C2=CC=C(C=C2)S(=O)(=O)NNC(=O)C3=CC=NC=C3
InChI: InChI=1S/C20H24N4O4S/c1-14-4-2-3-5-18(14)22-19(25)15-6-8-17(9-7-15)29(27,28)24-23-20(26)16-10-12-21-13-11-16/h6-14,18,24H,2-5H2,1H3,(H,22,25)(H,23,26)/t14-,18+/m1/s1
SMILES: CSC1=NC2=C(N1[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)SN=C2
InChI: InChI=1S/C31H25N3O7S2/c1-42-31-33-22-17-32-43-27(22)34(31)26-25(41-30(37)21-15-9-4-10-16-21)24(40-29(36)20-13-7-3-8-14-20)23(39-26)18-38-28(35)19-11-5-2-6-12-19/h2-17,23-26H,18H2,1H3/t23-,24-,25-,26-/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C=C[C@@H]([C@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H23NO4/c1-33-28(32)20-12-14-21(15-13-20)29-26(30)24-22(18-8-4-2-5-9-18)16-17-23(25(24)27(29)31)19-10-6-3-7-11-19/h2-17,22-25H,1H3/t22-,23+,24-,25-/m1/s1
SMILES: CCCCCCCCCCOP(=O)(O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CN)O)O)O)O)O
InChI: InChI=1S/C22H44NO13P/c1-2-3-4-5-6-7-8-9-10-32-37(30,31)36-22-19(29)17(27)20(14(12-24)34-22)35-21-18(28)16(26)15(25)13(11-23)33-21/h13-22,24-29H,2-12,23H2,1H3,(H,30,31)/t13-,14-,15+,16+,17-,18-,19+,20-,21+,22-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)C#CC3=C(NC4=C3C(=CC(=C4)Cl)Cl)C(=O)O
InChI: InChI=1S/C19H16Cl2N2O3/c20-11-7-13(21)17-12(18(19(25)26)23-15(17)8-11)3-4-16(24)22-14-6-9-1-2-10(14)5-9/h7-10,14,23H,1-2,5-6H2,(H,22,24)(H,25,26)/t9-,10+,14-/m0/s1
SMILES: C[C@H](CCC(=O)OCC1=CC=CC2=CC=CC=C21)[C@H]3CC[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@H](C6)OC(=O)CCl)C)OC(=O)CCl)C
InChI: InChI=1S/C39H50Cl2O6/c1-24(11-16-35(42)45-23-26-9-6-8-25-7-4-5-10-29(25)26)31-14-15-32-30-13-12-27-19-28(46-36(43)21-40)17-18-38(27,2)33(30)20-34(39(31,32)3)47-37(44)22-41/h4-10,24,27-28,30-34H,11-23H2,1-3H3/t24-,27-,28-,30+,31-,32+,33+,34+,38+,39-/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3
InChI: InChI=1S/C17H22N2O5S/c1-12-9-15(12)17(21)24-11-16(20)18-13-5-4-6-14(10-13)25(22,23)19-7-2-3-8-19/h4-6,10,12,15H,2-3,7-9,11H2,1H3,(H,18,20)/t12-,15+/m1/s1
SMILES: COP(=O)(OC)OC1=C2C3=C(CC4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)C=C1
InChI: InChI=1S/C22H28NO7P/c1-27-31(26,28-2)30-16-6-5-14-11-17-22(25)8-7-15(24)20-21(22,18(14)19(16)29-20)9-10-23(17)12-13-3-4-13/h5-6,13,17,20,25H,3-4,7-12H2,1-2H3/t17?,20-,21-,22+/m0/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)NC2=C(C(=O)N(C(=N2)NCC3=CC=CC=C3)C)N=O
InChI: InChI=1S/C23H27N5O9/c1-12(29)35-16-11-34-21(19(37-14(3)31)18(16)36-13(2)30)25-20-17(27-33)22(32)28(4)23(26-20)24-10-15-8-6-5-7-9-15/h5-9,16,18-19,21,25H,10-11H2,1-4H3,(H,24,26)/t16-,18+,19-,21-/m1/s1
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CCC=C(CC[C@@H](CC3=CC(=C2C=C3)C(=O)C4=CC=C(C=C4)OC)O)C)C)O)C(=O)O[C@H]5C[C@H](CC[C@@H]5C(C)C)C
InChI: InChI=1S/C44H63NO6/c1-8-24-45(42(48)51-40-25-31(5)12-19-36(40)29(2)3)28-44(49)23-21-39-37-20-13-32(26-34(46)16-11-30(4)10-9-22-43(39,44)6)27-38(37)41(47)33-14-17-35(50-7)18-15-33/h10,13-15,17-18,20,27,29,31,34,36,39-40,46,49H,8-9,11-12,16,19,21-26,28H2,1-7H3/t31-,34-,36+,39-,40-,43-,44+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N
InChI: InChI=1S/C20H25N3O4/c1-13-4-3-5-17(14(13)2)23-19(25)12-27-20(26)15-6-8-16(9-7-15)22-18(24)10-11-21/h6-9,13-14,17H,3-5,10,12H2,1-2H3,(H,22,24)(H,23,25)/t13-,14-,17-/m1/s1