EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CCC(CC1)N=C=NCCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C18H23N3O2/c22-17-15-12-6-7-13(10-12)16(15)18(23)21(17)9-8-19-11-20-14-4-2-1-3-5-14/h6-7,12-16H,1-5,8-10H2/t12-,13+,15-,16+
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C9=CC=C(C=C9)C=CC1=C(C=CC(=C1)OC)OC)O
InChI: InChI=1S/C51H45ClN4O7S/c1-26-21-30(11-18-40(26)57)45-34-16-17-35-44(49(60)55(47(35)58)32-13-8-28(9-14-32)7-10-29-22-33(62-5)15-19-41(29)63-6)37(34)24-38-48(59)56(50(61)51(38,45)3)43-25-39(53-54(43)4)46-27(2)36-23-31(52)12-20-42(36)64-46/h7-16,18-23,25,35,37-38,44-45,57H,17,24H2,1-6H3/t35-,37+,38-,44-,45-,51+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=S)N/N=C\C2=CC(=C(C=C2)[O-])[N+](=O)[O-]
InChI: InChI=1S/C15H20N4O3S/c1-10-4-2-3-5-12(10)17-15(23)18-16-9-11-6-7-14(20)13(8-11)19(21)22/h6-10,12,20H,2-5H2,1H3,(H2,17,18,23)/p-1/b16-9-/t10-,12+/m0/s1
SMILES: CC[C@@H](C1=CC=C(C=C1)OC)N2[C@@H]([C@@H](C2=O)OC(=O)C)C3=CC=CC=C3
InChI: InChI=1S/C21H23NO4/c1-4-18(15-10-12-17(25-3)13-11-15)22-19(16-8-6-5-7-9-16)20(21(22)24)26-14(2)23/h5-13,18-20H,4H2,1-3H3/t18-,19+,20-/m0/s1
SMILES: CC1=CC(=CC=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)C
InChI: InChI=1S/C14H16N2O3S2/c1-9-4-3-5-11(6-9)16-12-7-21(18,19)8-13(12)20-14(16)15-10(2)17/h3-6,12-13H,7-8H2,1-2H3/t12-,13-/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)CC2=CC=C(C=C2)CN3C(=O)C(=CN(C3=O)[C@H]4[C@@H](C5([C@H](O4)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O5)N)O[Si](C)(C)C(C)(C)C)C)[C@H]6C[C@@H]([C@H](O6)CO)N=[N+]=[N-]
InChI: InChI=1S/C42H62N8O12SSi2/c1-25-18-47(33-17-29(45-46-44)30(22-51)59-33)38(54)48(35(25)52)20-27-13-15-28(16-14-27)21-49-36(53)26(2)19-50(39(49)55)37-34(61-65(11,12)41(6,7)8)42(31(43)24-63(56,57)62-42)32(60-37)23-58-64(9,10)40(3,4)5/h13-16,18-19,24,29-30,32-34,37,51H,17,20-23,43H2,1-12H3/t29-,30+,32+,33+,34-,37+,42?/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](O1)C2=CC=CC=C2)[C@H](C/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H32O4Si/c1-15(19-20(24-19)16-11-8-7-9-12-16)17(13-10-14-18(22)23)25-26(5,6)21(2,3)4/h7-12,14-15,17,19-20H,13H2,1-6H3,(H,22,23)/b14-10+/t15-,17-,19+,20+/m0/s1
SMILES: C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C21H24O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)10(24)4-2-8-1-3-9(23)11(25)5-8/h1,3,5-6,14,17,19-23,25-31H,2,4,7H2/t14-,17-,19+,20-,21+/m1/s1
SMILES: C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)/C=C\Cl
InChI: InChI=1S/C9H10ClNO5S/c1-9(2-3-10)7(8(13)14)11-5(12)4-6(11)17(9,15)16/h2-3,6-7H,4H2,1H3,(H,13,14)/b3-2-/t6-,7+,9+/m1/s1
SMILES: C[C@@H](COCC1=CC=C(C=C1)OC)[C@@H]2[C@@](O2)(C)[C@H]([C@@H](CO)C=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H42O5Si/c1-10-20(15-26)23(30-31(8,9)24(3,4)5)25(6)22(29-25)18(2)16-28-17-19-11-13-21(27-7)14-12-19/h10-14,18,20,22-23,26H,1,15-17H2,2-9H3/t18-,20+,22+,23-,25-/m0/s1
SMILES: C(CCCCOC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)CCCN(CC(=O)O)CC(=O)O
InChI: InChI=1S/C18H33NO10/c20-13(21)9-19(10-14(22)23)7-5-3-1-2-4-6-8-28-11-12-15(24)16(25)17(26)18(27)29-12/h12,15-18,24-27H,1-11H2,(H,20,21)(H,22,23)/t12-,15-,16+,17-,18?/m1/s1
SMILES: C[C@@H]1[C@H]2[C@@H]([C@@](CC1=O)([C@@]3([C@]2(CCC3)C)C)C)OC(=O)C
InChI: InChI=1S/C17H26O3/c1-10-12(19)9-16(4)14(20-11(2)18)13(10)15(3)7-6-8-17(15,16)5/h10,13-14H,6-9H2,1-5H3/t10-,13-,14-,15-,16+,17-/m0/s1
SMILES: C1[C@@H]([C@@H](CS1(=O)=O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3
InChI: InChI=1S/C18H19N3O5S/c22-18(14-6-8-15(9-7-14)21(23)24)20-17-12-27(25,26)11-16(17)19-10-13-4-2-1-3-5-13/h1-9,16-17,19H,10-12H2,(H,20,22)/t16-,17+/m0/s1
SMILES: C1C[C@@H]2[C@@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)[C@@]5([NH+]2C1)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C22H18FN3O3/c23-12-7-9-13(10-8-12)26-19(27)17-16-6-3-11-25(16)22(18(17)20(26)28)14-4-1-2-5-15(14)24-21(22)29/h1-2,4-5,7-10,16-18H,3,6,11H2,(H,24,29)/p+1/t16-,17-,18-,22+/m1/s1
SMILES: CO/C=C\1/[C@H]([C@@H]([C@H]([C@H](O1)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H32O6/c1-30-21-25-26(32-18-22-12-6-3-7-13-22)27(33-19-23-14-8-4-9-15-23)28(29(31-2)35-25)34-20-24-16-10-5-11-17-24/h3-17,21,26-29H,18-20H2,1-2H3/b25-21-/t26-,27+,28-,29+/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(O5)C6=C(C=CC(=C6)Cl)Cl
InChI: InChI=1S/C28H20Cl2N2O4/c1-16-6-5-9-19(14-16)31-27(33)24-25(32(36-26(24)28(31)34)18-7-3-2-4-8-18)23-13-12-22(35-23)20-15-17(29)10-11-21(20)30/h2-15,24-26H,1H3/t24-,25-,26-/m0/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1([C@]45[C@H](O4)C(=O)O[C@H]([C@@]5(CC3=O)C)C6=COC=C6)C)C
InChI: InChI=1S/C28H32O8/c1-14(29)34-19-11-17-24(2,3)18(31)7-9-25(17,4)20-16(30)12-26(5)21(15-8-10-33-13-15)35-23(32)22-28(26,36-22)27(19,20)6/h7-10,13,17,19-22H,11-12H2,1-6H3/t17-,19+,20+,21-,22+,25-,26-,27+,28+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H]([C@@H](C3=C(O2)C=C(C=C3OC)OC)O)O
InChI: InChI=1S/C18H20O6/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)15-13(23-3)8-12(22-2)9-14(15)24-18/h4-9,16-20H,1-3H3/t16-,17+,18-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=NN=C2S[C@@H](C)C(=O)N3CCCC3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C23H32N4O2S/c1-16-8-4-5-9-20(16)27-21(18-10-12-19(29-3)13-11-18)24-25-23(27)30-17(2)22(28)26-14-6-7-15-26/h10-13,16-17,20H,4-9,14-15H2,1-3H3/t16-,17+,20-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@@H]3C=CC4=CC=CC=C4N3C([C@H]2C5=CC=CC=C5Br)(C#N)C#N
InChI: InChI=1S/C27H18BrN3O/c28-21-12-6-5-11-20(21)25-24(26(32)19-9-2-1-3-10-19)23-15-14-18-8-4-7-13-22(18)31(23)27(25,16-29)17-30/h1-15,23-25H/t23-,24+,25-/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1
SMILES: CCC(=O)OC1=CC=CC(=C1)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C18H17NO4/c1-2-14(20)23-13-5-3-4-12(9-13)19-17(21)15-10-6-7-11(8-10)16(15)18(19)22/h3-7,9-11,15-16H,2,8H2,1H3/t10-,11+,15-,16-/m0/s1
SMILES: COC(=O)C1=CN(N=N1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NCC4=CC(=CC=C4)C#N
InChI: InChI=1S/C18H19N5O4/c1-25-18(24)13-8-23(22-21-13)15-10-27-16-14(9-26-17(15)16)20-7-12-4-2-3-11(5-12)6-19/h2-5,8,14-17,20H,7,9-10H2,1H3/t14-,15-,16+,17+/m0/s1
SMILES: COCCCN1C[C@]23C=C[C@H](O2)[C@@H]([C@@H]3C1=O)C(=O)[O-]
InChI: InChI=1S/C13H17NO5/c1-18-6-2-5-14-7-13-4-3-8(19-13)9(12(16)17)10(13)11(14)15/h3-4,8-10H,2,5-7H2,1H3,(H,16,17)/p-1/t8-,9-,10+,13-/m0/s1
SMILES: C1[C@H]2[C@H]1[C@@H]3C=C[C@@H]2[C@@H]4[C@@H]3C(=O)N(C4=O)CCC(=O)O
InChI: InChI=1S/C14H15NO4/c16-10(17)3-4-15-13(18)11-6-1-2-7(9-5-8(6)9)12(11)14(15)19/h1-2,6-9,11-12H,3-5H2,(H,16,17)/t6-,7-,8+,9+,11+,12+/m0/s1
SMILES: C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O
InChI: InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1
SMILES: C[C@H]([C@H]1C[C@@H]2C/C(=C\C(=O)OC)/[C@@H]([C@@](O2)(C(/C=C/[C@H]3OCC[C@H](O3)C[C@H]4CCC[C@H](O4)C[C@H](CC(=O)O1)O)(C)C)O)OC(=O)C5=CC=CC=C5)O
InChI: InChI=1S/C38H52O13/c1-23(39)31-22-30-17-25(18-32(41)45-4)35(50-36(43)24-9-6-5-7-10-24)38(44,51-30)37(2,3)15-13-34-46-16-14-29(48-34)21-28-12-8-11-27(47-28)19-26(40)20-33(42)49-31/h5-7,9-10,13,15,18,23,26-31,34-35,39-40,44H,8,11-12,14,16-17,19-22H2,1-4H3/b15-13+,25-18+/t23-,26-,27+,28-,29+,30+,31-,34+,35+,38-/m1/s1
SMILES: CCS(=O)(=O)O.CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C
InChI: InChI=1S/C35H41N5O5.C2H6O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-2-6(3,4)5/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);2H2,1H3,(H,3,4,5)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1
SMILES: CC1=NN(C(=C1)C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)OC)C3=CC=CC=C3)C
InChI: InChI=1S/C18H21N3O3/c1-11-9-15(21(2)20-11)17(22)19-16(12-7-5-4-6-8-12)13-10-14(13)18(23)24-3/h4-9,13-14,16H,10H2,1-3H3,(H,19,22)/t13-,14-,16+/m1/s1
SMILES: CC1([C@H]([C@H]1C(=O)OCC2=CC=CC=C2)/C=C\C(=O)OCCF)C
InChI: InChI=1S/C18H21FO4/c1-18(2)14(8-9-15(20)22-11-10-19)16(18)17(21)23-12-13-6-4-3-5-7-13/h3-9,14,16H,10-12H2,1-2H3/b9-8-/t14-,16-/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@@H]4O)CO)C)O
InChI: InChI=1S/C20H34O3/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12(11-21)18(20)23/h12-18,21-23H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,17+,18+,19+,20+/m1/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC(=O)O)O
InChI: InChI=1S/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(33)27-7-9-54-8-3-4-16(34)35)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,36-37H,3-11H2,1-2H3,(H,27,33)(H,28,38)(H,34,35)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1
SMILES: C[C@H]1CCC2=C([C@]1(C)CC3=C(C(=O)C=C(C3=O)O)O)CCCC2(C)C
InChI: InChI=1S/C21H28O4/c1-12-7-8-14-15(6-5-9-20(14,2)3)21(12,4)11-13-18(24)16(22)10-17(23)19(13)25/h10,12,22,25H,5-9,11H2,1-4H3/t12-,21+/m0/s1
SMILES: C1[C@H]([C@H]1C(=O)NNC(=S)NC(=O)C2=CN=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C17H16N4O2S/c22-15(12-7-4-8-18-10-12)19-17(24)21-20-16(23)14-9-13(14)11-5-2-1-3-6-11/h1-8,10,13-14H,9H2,(H,20,23)(H2,19,21,22,24)/t13-,14-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@H]([C@@H](C([C@@H]2N)O)N)O)O)N)O)O
InChI: InChI=1S/C12H25N3O7/c1-2-6(16)9(19)5(15)12(21-2)22-11-4(14)7(17)3(13)8(18)10(11)20/h2-12,16-20H,13-15H2,1H3/t2-,3-,4+,5-,6-,7?,8+,9-,10-,11?,12-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)[NH2+]C[C@@H](COCCOC2=CC=C(C=C2)Cl)O
InChI: InChI=1S/C19H30ClNO3/c1-14-4-3-5-19(15(14)2)21-12-17(22)13-23-10-11-24-18-8-6-16(20)7-9-18/h6-9,14-15,17,19,21-22H,3-5,10-13H2,1-2H3/p+1/t14-,15+,17-,19+/m0/s1
SMILES: CO[C@H]1[C@H]([C@@H]([C@@H](C2=CC3=C(C=C12)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)CO)CO
InChI: InChI=1S/C23H28O8/c1-26-19-5-12(6-20(27-2)23(19)29-4)21-13-7-17-18(31-11-30-17)8-14(13)22(28-3)16(10-25)15(21)9-24/h5-8,15-16,21-22,24-25H,9-11H2,1-4H3/t15-,16-,21+,22+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F
InChI: InChI=1S/C19H23F2NO4/c1-13-4-2-3-5-16(13)22-17(23)12-25-18(24)11-8-14-6-9-15(10-7-14)26-19(20)21/h6-11,13,16,19H,2-5,12H2,1H3,(H,22,23)/b11-8+/t13-,16+/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(C6=CC=CC=C56)O)C(=O)N(C4=O)C7=CC(=C(C(=C7)[N+](=O)[O-])N(C)C)[N+](=O)[O-]
InChI: InChI=1S/C35H28N4O9/c1-16-12-28(41)31-24(33(16)42)15-23-21(29(31)20-10-11-27(40)19-7-5-4-6-18(19)20)8-9-22-30(23)35(44)37(34(22)43)17-13-25(38(45)46)32(36(2)3)26(14-17)39(47)48/h4-8,10-14,22-23,29-30,40H,9,15H2,1-3H3/t22-,23+,29-,30-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC7=CC=CC=C76)C(=O)OC8=CC9=CC=CC=C9C=C8)O)C(=C5)C(=O)C1=CC=C(C=C1)OC)O)C
InChI: InChI=1S/C52H53NO6/c1-48-24-21-39(54)30-50(48)27-28-52(43(31-50)46(55)36-16-18-40(58-3)19-17-36)44(48)22-25-49(2)45(52)23-26-51(49,57)33-53(32-38-13-8-12-35-10-6-7-14-42(35)38)47(56)59-41-20-15-34-9-4-5-11-37(34)29-41/h4-20,27-29,31,39,44-45,54,57H,21-26,30,32-33H2,1-3H3/t39?,44-,45-,48-,49+,50+,51-,52-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCCC(=O)NC3=C(C=C(C=C3)F)F
InChI: InChI=1S/C18H18F2N2O3/c19-11-7-8-15(14(20)10-11)21-16(23)6-3-9-22-17(24)12-4-1-2-5-13(12)18(22)25/h1-2,7-8,10,12-13H,3-6,9H2,(H,21,23)/t12-,13-/m0/s1
SMILES: CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C6=CC=C([C@H]([C@]6(C(=N5)C=C1N2)C)C(=O)OC)C(=O)OC)C)CCC(=O)OC)C(=C3C)CCC(=O)OC)C
InChI: InChI=1S/C42H46N4O8/c1-10-24-21(2)29-17-30-22(3)25(12-15-37(47)51-6)32(43-30)19-33-26(13-16-38(48)52-7)23(4)31(44-33)18-35-28-14-11-27(40(49)53-8)39(41(50)54-9)42(28,5)36(46-35)20-34(24)45-29/h11,14,17-20,39,44-45H,10,12-13,15-16H2,1-9H3/t39-,42+/m0/s1
SMILES: C[C@@H]([C@H]1[C@@H]([C@@H](CC[C@]12CO2)O)OC)OCC=C(C)C
InChI: InChI=1S/C15H26O4/c1-10(2)6-8-18-11(3)13-14(17-4)12(16)5-7-15(13)9-19-15/h6,11-14,16H,5,7-9H2,1-4H3/t11-,12+,13-,14+,15-/m0/s1
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CSCCNC(=O)[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)/C=C\C(=O)O)C)C)[C@@H]2C1)C)C)C)/C)/C)/C)C
InChI: InChI=1S/C56H87NO5S/c1-39(2)16-13-17-40(3)18-14-19-41(4)20-15-21-42(5)28-36-63-37-35-57-50(61)53(9)32-31-52(8)33-34-55(11)43(44(52)38-53)22-23-46-54(10)29-27-47(62-49(60)25-24-48(58)59)51(6,7)45(54)26-30-56(46,55)12/h16,18,20,22,24-25,28,44-47H,13-15,17,19,21,23,26-27,29-38H2,1-12H3,(H,57,61)(H,58,59)/b25-24-,40-18+,41-20+,42-28+/t44-,45-,46+,47-,52+,53-,54-,55+,56+/m0/s1
SMILES: CCC(CC)O[C@H]1C=C(C[C@H]2[C@@H]1N2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC
InChI: InChI=1S/C27H33NO3/c1-4-22(5-2)31-24-18-21(27(29)30-6-3)17-23-26(24)28(23)25(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,22-26H,4-6,17H2,1-3H3/t23-,24-,26-,28?/m0/s1
SMILES: C[C@H](/C=C/C=C1CCCC1)[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/C29H42O2/c1-20(8-6-11-22-9-4-5-10-22)26-15-16-27-23(12-7-17-29(26,27)3)13-14-24-18-25(30)19-28(31)21(24)2/h6,8,11,13-14,20,25-28,30-31H,2,4-5,7,9-10,12,15-19H2,1,3H3/b8-6+,23-13+,24-14-/t20-,25-,26-,27+,28+,29-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@@H](CC(O3)OC)O
InChI: InChI=1S/C22H30O4Si/c1-22(2,3)27(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-20-19(23)15-21(24-4)26-20/h5-14,19-21,23H,15-16H2,1-4H3/t19-,20-,21?/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CC2=CC=C(C=C2)Cl
InChI: InChI=1S/C18H24ClNO3/c1-12-4-3-5-16(13(12)2)20-17(21)11-23-18(22)10-14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,21)/t12-,13+,16-/m0/s1
SMILES: CCCCCCCCC(=O)[C@@H]1[C@@H](N1S(=O)(=O)C)C2=CC=CC=C2
InChI: InChI=1S/C18H27NO3S/c1-3-4-5-6-7-11-14-16(20)18-17(19(18)23(2,21)22)15-12-9-8-10-13-15/h8-10,12-13,17-18H,3-7,11,14H2,1-2H3/t17-,18+,19?/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)C6(CCC7=CC=CC=C7C6)C[C@]3(C2CC8=C4C(=C(C=C8)O)O5)O
InChI: InChI=1S/C29H31NO4/c31-21-8-7-19-13-22-29(33)16-27(10-9-18-3-1-2-4-20(18)14-27)25(32)26-28(29,23(19)24(21)34-26)11-12-30(22)15-17-5-6-17/h1-4,7-8,17,22,26,31,33H,5-6,9-16H2/t22?,26-,27?,28-,29+/m0/s1
SMILES: CC1=CC=C(C=C1)NC(=O)N2[C@@H]([C@@H]3CCC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C25H22ClN3O/c1-16-6-13-20(14-7-16)27-25(30)29-24(18-8-11-19(26)12-9-18)22-15-10-17-4-2-3-5-21(17)23(22)28-29/h2-9,11-14,22,24H,10,15H2,1H3,(H,27,30)/t22-,24-/m1/s1
SMILES: C/C(=N\N=C(N)N)/[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N\N=C(N)N)/CC[C@]34C)C.Cl.Cl
InChI: InChI=1S/C23H38N8.2ClH/c1-13(28-30-20(24)25)17-6-7-18-16-5-4-14-12-15(29-31-21(26)27)8-10-22(14,2)19(16)9-11-23(17,18)3;;/h12,16-19H,4-11H2,1-3H3,(H4,24,25,30)(H4,26,27,31);2*1H/b28-13+,29-15-;;/t16-,17+,18-,19-,22-,23+;;/m0../s1
SMILES: CC[C@H]1[C@@H]([C@H]([C@@H](CO1)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H20O7/c1-5-10-12(19-8(3)15)13(20-9(4)16)11(6-17-10)18-7(2)14/h10-13H,5-6H2,1-4H3/t10-,11+,12-,13-/m0/s1
SMILES: CCOC(=O)NC1[C@H]([C@@H]1C2=CC=C(C=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C19H21NO2/c1-3-22-19(21)20-18-16(14-7-5-4-6-8-14)17(18)15-11-9-13(2)10-12-15/h4-12,16-18H,3H2,1-2H3,(H,20,21)/t16-,17-,18?/m0/s1
SMILES: C[C@H]1C=C[C@H]2[C@@H]1C[C@H]([C@@H]2CCO)/C=C/CCC3=CC(=O)OC(O3)(C)C
InChI: InChI=1S/C21H30O4/c1-14-8-9-18-17(10-11-22)15(12-19(14)18)6-4-5-7-16-13-20(23)25-21(2,3)24-16/h4,6,8-9,13-15,17-19,22H,5,7,10-12H2,1-3H3/b6-4+/t14-,15+,17-,18+,19+/m0/s1
SMILES: CC1([C@H]2[C@@H]1C(=[N+](N=C2C3=CC=CS3)C(=C=N)C#N)C4=CC=CS4)C
InChI: InChI=1S/C18H15N4S2/c1-18(2)14-15(18)17(13-6-4-8-24-13)22(11(9-19)10-20)21-16(14)12-5-3-7-23-12/h3-8,14-15,19H,1-2H3/q+1/t14-,15+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C23H19NO4/c1-13-6-8-14(9-7-13)23(27)28-18-5-3-2-4-17(18)24-21(25)19-15-10-11-16(12-15)20(19)22(24)26/h2-11,15-16,19-20H,12H2,1H3/t15-,16+,19+,20-
SMILES: C[C@]1(C2=C(C3=CC=CC=C3C=C2)O[P@@]1(=O)C4=CC=CC=C4)NC5=CC(=C(C=C5)F)Cl
InChI: InChI=1S/C24H18ClFNO2P/c1-24(27-17-12-14-22(26)21(25)15-17)20-13-11-16-7-5-6-10-19(16)23(20)29-30(24,28)18-8-3-2-4-9-18/h2-15,27H,1H3/t24-,30-/m0/s1
SMILES: CC1CCC[C@@H]2C1=NN([C@H]2C3=CC=C(C=C3)OC)C(=S)NC4=CC=CC=C4
InChI: InChI=1S/C22H25N3OS/c1-15-7-6-10-19-20(15)24-25(22(27)23-17-8-4-3-5-9-17)21(19)16-11-13-18(26-2)14-12-16/h3-5,8-9,11-15,19,21H,6-7,10H2,1-2H3,(H,23,27)/t15?,19-,21+/m1/s1
SMILES: CC(C)[C@H](C[C@H]1[C@@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)CC2CCCCC2)C(=O)NCCCN3C=CN=C3
InChI: InChI=1S/C29H50N4O4/c1-21(2)23(26(34)31-14-11-16-32-17-15-30-20-32)19-25-24(18-22-12-9-8-10-13-22)33(29(6,7)36-25)27(35)37-28(3,4)5/h15,17,20-25H,8-14,16,18-19H2,1-7H3,(H,31,34)/t23-,24-,25-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC(=C3)C=CC(=O)N(C)C)OC(O2)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C41H46N2O9/c1-40(2,3)51-36(46)22-20-32(26-44)42-38(47)29-24-33(49-39(48)28-14-12-13-27(23-28)19-21-35(45)43(4)5)37-34(25-29)50-41(52-37,30-15-8-6-9-16-30)31-17-10-7-11-18-31/h6-19,21,23,25,32-34,37,44H,20,22,24,26H2,1-5H3,(H,42,47)/t32-,33+,34+,37-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CN([C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)C=O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI: InChI=1S/C32H47NO5Si2/c1-31(2,3)39(7,8)37-28-19-33(27(20-34)29(28)38-40(9,10)32(4,5)6)30(35)36-21-26-24-17-13-11-15-22(24)23-16-12-14-18-25(23)26/h11-18,20,26-29H,19,21H2,1-10H3/t27-,28+,29-/m1/s1
SMILES: CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CCC34
InChI: InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17?,18-,19-,20+,21-,22-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3
InChI: InChI=1S/C24H30N2O4/c1-17-7-6-10-22(18(17)2)26-23(27)15-30-24(28)16-29-21-13-11-20(12-14-21)25-19-8-4-3-5-9-19/h3-5,8-9,11-14,17-18,22,25H,6-7,10,15-16H2,1-2H3,(H,26,27)/t17-,18-,22-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C32H44N2O21/c1-12(35)45-10-21(47-14(3)37)26-29(51-18(7)41)28(50-17(6)40)24(31(55-26)53-20(9)43)34-32(44)33-23-27(49-16(5)39)25(48-15(4)38)22(11-46-13(2)36)54-30(23)52-19(8)42/h21-31H,10-11H2,1-9H3,(H2,33,34,44)/t21-,22-,23-,24+,25-,26+,27-,28+,29+,30-,31-/m1/s1
SMILES: C1=CC(=CC=C1N2C(=O)[C@@H]3C=NN[C@H]3C2=O)[N+](=O)[O-]
InChI: InChI=1S/C11H8N4O4/c16-10-8-5-12-13-9(8)11(17)14(10)6-1-3-7(4-2-6)15(18)19/h1-5,8-9,13H/t8-,9-/m1/s1
SMILES: CC(C)[C@@]1(CC[C@H](C1)N[C@H]2CCOC[C@@H]2OC)C(=O)N3CCC4=C(C3)C=C(C=[N+]4[O-])C(F)(F)F
InChI: InChI=1S/C24H34F3N3O4/c1-15(2)23(7-4-18(11-23)28-19-6-9-34-14-21(19)33-3)22(31)29-8-5-20-16(12-29)10-17(13-30(20)32)24(25,26)27/h10,13,15,18-19,21,28H,4-9,11-12,14H2,1-3H3/t18-,19+,21+,23+/m1/s1
SMILES: C[C@@]12CC[C@@]3(C4=CCC5[C@@](C4CC[C@]3(C1CC(CC2)(C)C)C)(CCCC5(C)C)C)C
InChI: InChI=1S/C30H50/c1-25(2)16-17-27(5)18-19-29(7)22-10-11-23-26(3,4)13-9-14-28(23,6)21(22)12-15-30(29,8)24(27)20-25/h10,21,23-24H,9,11-20H2,1-8H3/t21?,23?,24?,27-,28-,29-,30+/m1/s1
SMILES: C1[C@H]2[C@H]([C@H]3[C@@H]([N+]24CC5=CC=CC=C5C6=CC=CC=C6C4)COC(O3)C7=CC=CC=C7)OC(O1)C8=CC=CC=C8.[Br-]
InChI: InChI=1S/C34H32NO4.BrH/c1-3-11-23(12-4-1)33-36-21-29-31(38-33)32-30(22-37-34(39-32)24-13-5-2-6-14-24)35(29)19-25-15-7-9-17-27(25)28-18-10-8-16-26(28)20-35;/h1-18,29-34H,19-22H2;1H/q+1;/p-1/t29-,30-,31+,32+,33?,34?;/m0./s1
SMILES: CC1=C(C=CC(=C1)F)NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C18H19FN2O3/c1-11-10-12(19)6-7-15(11)20-16(22)8-9-21-17(23)13-4-2-3-5-14(13)18(21)24/h2-3,6-7,10,13-14H,4-5,8-9H2,1H3,(H,20,22)/t13-,14-/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)C4=C(C(=C(C(=C4F)F)F)F)F)CN5CCC6=CC(=C(C=C6C5)OC)OC
InChI: InChI=1S/C37H35F5N2O6/c1-19-28(17-44-12-11-22-14-26(47-2)27(48-3)15-24(22)16-44)49-37(50-35(19)21-9-7-20(18-45)8-10-21)23-5-4-6-25(13-23)43-36(46)29-30(38)32(40)34(42)33(41)31(29)39/h4-10,13-15,19,28,35,37,45H,11-12,16-18H2,1-3H3,(H,43,46)/t19-,28+,35+,37+/m1/s1
SMILES: C=CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H]3[C@@H](O3)C4=CC=CC=C4
InChI: InChI=1S/C26H29N3O4/c1-2-15-27-24(30)20(17-18-10-5-3-6-11-18)28-25(31)21-14-9-16-29(21)26(32)23-22(33-23)19-12-7-4-8-13-19/h2-8,10-13,20-23H,1,9,14-17H2,(H,27,30)(H,28,31)/t20-,21-,22-,23+/m0/s1
SMILES: CC(C)[C@@H]\1[C@H](N[C@@H](C/C1=N\O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H28N2O3/c1-14(2)21-20(24-25)13-19(15-5-9-17(26-3)10-6-15)23-22(21)16-7-11-18(27-4)12-8-16/h5-12,14,19,21-23,25H,13H2,1-4H3/b24-20+/t19-,21-,22+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=S)NNC(=O)COC2=CC=CC(=C2C)C
InChI: InChI=1S/C19H29N3O2S/c1-12-7-5-9-16(14(12)3)20-19(25)22-21-18(23)11-24-17-10-6-8-13(2)15(17)4/h6,8,10,12,14,16H,5,7,9,11H2,1-4H3,(H,21,23)(H2,20,22,25)/t12-,14+,16+/m1/s1
SMILES: CC[Si](CC)(C(C)C)O[C@]12C[C@H](O[C@H]1O[C@H]3C[C@@H]2C(=C3)COC(=O)[C@@H]4C=C[C@H]5CCCC[C@]56[C@H]4C(=O)OC6)OC
InChI: InChI=1S/C31H46O8Si/c1-6-40(7-2,19(3)4)39-31-16-25(34-5)38-29(31)37-22-14-20(24(31)15-22)17-35-27(32)23-12-11-21-10-8-9-13-30(21)18-36-28(33)26(23)30/h11-12,14,19,21-26,29H,6-10,13,15-18H2,1-5H3/t21-,22-,23-,24-,25+,26-,29-,30-,31+/m1/s1
SMILES: C[C@H]1CCC/C=C/C2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O
InChI: InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12?,13-,14+,15+/m0/s1
SMILES: CC1([C@H]2C[C@]3(CCCN3C(=O)C4(C=CCC=C4)C)C(=O)NC2=C[C@@H]([C@H]1O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)SC7=CC=CC=C7)C
InChI: InChI=1S/C44H52N2O3SSi/c1-41(2,3)51(33-22-13-8-14-23-33,34-24-15-9-16-25-34)49-38-37(50-32-20-11-7-12-21-32)30-36-35(42(38,4)5)31-44(39(47)45-36)28-19-29-46(44)40(48)43(6)26-17-10-18-27-43/h7-9,11-18,20-27,30,35,37-38H,10,19,28-29,31H2,1-6H3,(H,45,47)/t35-,37-,38+,44+/m0/s1
SMILES: CCOC(=O)C1=CC2=C(C=C1)N[C@@H]([C@@H]3[C@H]2C=CC3)C4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C25H23NO2/c1-2-28-25(27)17-13-14-23-22(15-17)19-10-6-12-21(19)24(26-23)20-11-5-8-16-7-3-4-9-18(16)20/h3-11,13-15,19,21,24,26H,2,12H2,1H3/t19-,21+,24-/m1/s1
SMILES: CCCN(C1CCN(CC1)C[C@H]2CC(C[C@@H]2C3=CC=CC=C3)N(CC4CCC4)CC(=O)O)C(=O)OCC5=CC=C(C=C5)F
InChI: InChI=1S/C35H48FN3O4/c1-2-17-39(35(42)43-25-27-11-13-30(36)14-12-27)31-15-18-37(19-16-31)23-29-20-32(21-33(29)28-9-4-3-5-10-28)38(24-34(40)41)22-26-7-6-8-26/h3-5,9-14,26,29,31-33H,2,6-8,15-25H2,1H3,(H,40,41)/t29-,32?,33-/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(=C4)CNC(=O)NCC5=CC=CC=C5)CN(C)CC=C
InChI: InChI=1S/C38H43N3O4/c1-4-21-41(3)25-35-27(2)36(32-15-13-29(26-42)14-16-32)45-37(44-35)33-19-17-31(18-20-33)34-12-8-11-30(22-34)24-40-38(43)39-23-28-9-6-5-7-10-28/h4-20,22,27,35-37,42H,1,21,23-26H2,2-3H3,(H2,39,40,43)/t27-,35+,36+,37+/m0/s1
SMILES: CN1CC[C@]23[C@@H]4C=C(C=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)SC#N
InChI: InChI=1S/C19H18N2O2S/c1-21-6-5-19-13-8-12(24-10-20)9-16(19)23-18-15(22-2)4-3-11(17(18)19)7-14(13)21/h3-4,8-9,14,16H,5-7H2,1-2H3/t14-,16+,19-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@H]2COC(O2)(C)C)OCOC)(C(=O)OC(C)(C)C)O)OCOC
InChI: InChI=1S/C22H39NO11/c1-13(24)23-16-14(29-11-27-7)9-22(26,19(25)34-20(2,3)4)33-18(16)17(30-12-28-8)15-10-31-21(5,6)32-15/h14-18,26H,9-12H2,1-8H3,(H,23,24)/t14-,15+,16+,17+,18+,22-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)C[C@H]2[C@@H]([C@@](CO2)(COC(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/C38H48N2O8Si/c1-26-22-40(35(42)39-34(26)41)23-32-33(48-49(7,8)36(2,3)4)37(43,24-46-32)25-47-38(27-12-10-9-11-13-27,28-14-18-30(44-5)19-15-28)29-16-20-31(45-6)21-17-29/h9-22,32-33,43H,23-25H2,1-8H3,(H,39,41,42)/t32-,33-,37+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C14H27NO4Si/c1-9(19-20(6,7)14(2,3)4)12-10(15-13(12)17)8-11(16)18-5/h9-10,12H,8H2,1-7H3,(H,15,17)/t9-,10-,12-/m1/s1
SMILES: CC1=C2C(=CC=C1)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)[C@@H](C)O)C(=O)N(C4=O)CC5=CC=CC=C5OC)C(=O)N2
InChI: InChI=1S/C24H25N3O5/c1-12-7-6-9-15-19(12)25-23(31)24(15)18-17(20(26-24)13(2)28)21(29)27(22(18)30)11-14-8-4-5-10-16(14)32-3/h4-10,13,17-18,20,26,28H,11H2,1-3H3,(H,25,31)/p+1/t13-,17+,18+,20+,24+/m1/s1
SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C
InChI: InChI=1S/C27H40O7/c1-14(29)18-6-7-19-17-5-4-15-12-16(8-10-26(15,2)20(17)9-11-27(18,19)3)33-25-24(32)23(31)22(30)21(13-28)34-25/h4,6,16-17,19-25,28,30-32H,5,7-13H2,1-3H3/t16-,17-,19-,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1