EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC(=C2C(=C1)NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC4=CC=C(C=C4)O
InChI: InChI=1S/C20H22N2O7/c23-9-14-16(25)17(26)18(27)20(28-14)29-19-15-11(2-1-3-13(15)21-22-19)8-10-4-6-12(24)7-5-10/h1-7,14,16-18,20,23-27H,8-9H2,(H,21,22)/t14-,16-,17+,18-,20+/m1/s1
SMILES: C/C=C(\C)/C(=O)O[C@@H]1C[C@@]2([C@H](O2)C[C@H](/C(=C/[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)O)C
InChI: InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6+,11-7+/t13-,14-,15-,16-,17+,20-/m1/s1
SMILES: C1[C@H]([C@H]2[C@@H](C=C1C(=O)NCCO)OC3(O2)CC4=CC=CC=C4C3)OC(=O)C5=CC=CC=C5I
InChI: InChI=1S/C25H24INO6/c26-19-8-4-3-7-18(19)24(30)31-20-11-17(23(29)27-9-10-28)12-21-22(20)33-25(32-21)13-15-5-1-2-6-16(15)14-25/h1-8,12,20-22,28H,9-11,13-14H2,(H,27,29)/t20-,21-,22+/m1/s1
SMILES: [Li+].[Li+].CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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-])O.O
InChI: InChI=1S/C25H42N7O17P3S.2Li.H2O/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32;;;/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);;;1H2/q;2*+1;/p-2/t14-,18-,19-,20+,24-;;;/m1.../s1
SMILES: CC1=CC=C(C=C1)C23[C@H]4[C@@H]5CC[C@H]([C@H]4C(=O)N2CCCCN3)O5
InChI: InChI=1S/C19H24N2O2/c1-12-4-6-13(7-5-12)19-17-15-9-8-14(23-15)16(17)18(22)21(19)11-3-2-10-20-19/h4-7,14-17,20H,2-3,8-11H2,1H3/t14-,15+,16-,17+,19?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CN3CC[C@@H]([C@@H]3[C@H]2O)OCC4=CC=C(C=C4)OC
InChI: InChI=1S/C22H27NO6S/c1-15-3-9-18(10-4-15)30(25,26)29-20-13-23-12-11-19(21(23)22(20)24)28-14-16-5-7-17(27-2)8-6-16/h3-10,19-22,24H,11-14H2,1-2H3/t19-,20-,21+,22-/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)C4=CC=CC(=C4)CNC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6)CSC7=NC=NN7
InChI: InChI=1S/C41H39N5O5S/c1-27-37(25-52-41-43-26-44-46-41)50-39(51-38(27)30-15-13-28(24-47)14-16-30)33-10-6-9-32(22-33)31-8-5-7-29(21-31)23-42-40(48)45-34-17-19-36(20-18-34)49-35-11-3-2-4-12-35/h2-22,26-27,37-39,47H,23-25H2,1H3,(H2,42,45,48)(H,43,44,46)/t27-,37+,38+,39+/m0/s1
SMILES: C1CCC2(CC1)O[C@@H]3C=C([C@H]([C@@H]([C@@H]3O2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)COCC6=CC=CC=C6
InChI: InChI=1S/C34H38O5/c1-5-13-26(14-6-1)22-35-25-29-21-30-32(39-34(38-30)19-11-4-12-20-34)33(37-24-28-17-9-3-10-18-28)31(29)36-23-27-15-7-2-8-16-27/h1-3,5-10,13-18,21,30-33H,4,11-12,19-20,22-25H2/t30-,31-,32-,33+/m1/s1
SMILES: C/C=C(\C)/C=C/C=C(\C)/CC[C@H]1[C@@H](OC(O1)(C)C)CCC(=O)N2C=CN=C2
InChI: InChI=1S/C22H32N2O3/c1-6-17(2)8-7-9-18(3)10-11-19-20(27-22(4,5)26-19)12-13-21(25)24-15-14-23-16-24/h6-9,14-16,19-20H,10-13H2,1-5H3/b8-7+,17-6+,18-9+/t19-,20-/m0/s1
SMILES: C/C/1=C\CC[C@]2([C@H](O2)CC/C(=C/C=C(\CC1)/C(C)C)/C)CO
InChI: InChI=1S/C20H32O2/c1-15(2)18-10-7-16(3)6-5-13-20(14-21)19(22-20)12-9-17(4)8-11-18/h6,8,11,15,19,21H,5,7,9-10,12-14H2,1-4H3/b16-6+,17-8+,18-11+/t19-,20-/m1/s1
SMILES: CC(C)(C)OC(=O)N(CCCN([C@@H]1C[C@@H]2CCCC[C@H]2[C@@H]1C#C)C(=O)OC(C)(C)C)[C@@H]3C[C@@H]4CCCC[C@H]4[C@@H]3C#C
InChI: InChI=1S/C35H54N2O4/c1-9-26-28-18-13-11-16-24(28)22-30(26)36(32(38)40-34(3,4)5)20-15-21-37(33(39)41-35(6,7)8)31-23-25-17-12-14-19-29(25)27(31)10-2/h1-2,24-31H,11-23H2,3-8H3/t24-,25-,26-,27-,28+,29+,30+,31+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])O)O)O
InChI: InChI=1S/C23H38N2O11/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)36-18(15-34-24(30)31)16-35-25(32)33/h4,7,12-13,17-22,26-28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-,22+/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOC)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OCCN7CC7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H79N3O8/c1-4-6-7-8-9-10-11-12-13-20-36-65-55(62)59(41-44-25-21-24-42-22-14-15-26-46(42)44)52-40-50(57-63-3)48-38-43(23-16-18-33-60)47(27-17-19-34-61)53-49-39-45(64-37-32-58-30-31-58)28-29-51(49)67-56(52,54(48)53)66-35-5-2/h5,14-15,21-22,24-26,28-29,38-39,43,47,52-54,60-61H,2,4,6-13,16-20,23,27,30-37,40-41H2,1,3H3/t43-,47+,52-,53+,54+,56+/m0/s1
SMILES: C1CC(=O)[C@@H]2[C@H](C3=C(NC2=C1)NN(C3=O)C4=CC=CC=C4)C5=C(C=CC=C5Cl)F
InChI: InChI=1S/C22H17ClFN3O2/c23-13-8-4-9-14(24)17(13)19-18-15(10-5-11-16(18)28)25-21-20(19)22(29)27(26-21)12-6-2-1-3-7-12/h1-4,6-10,18-19,25-26H,5,11H2/t18-,19-/m1/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H20N2O3/c1-11-6-5-7-12(2)16(11)19-15(21)10-20-17(22)13-8-3-4-9-14(13)18(20)23/h3-7,13-14H,8-10H2,1-2H3,(H,19,21)/t13-,14+
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2CN(CC3)C)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5
InChI: InChI=1S/C24H29N3O3S/c1-17-5-10-22-20(15-17)21-16-25(2)14-11-23(21)27(22)24(28)18-6-8-19(9-7-18)31(29,30)26-12-3-4-13-26/h5-10,15,21,23H,3-4,11-14,16H2,1-2H3/t21-,23+/m1/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC2=CC=CC=C2)OC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C36H45NO11Si/c1-24(2)36(3,4)49(5,6)48-35-33(47-34(40)26-15-11-8-12-16-26)32(31(29(21-38)45-35)44-22-25-13-9-7-10-14-25)46-30(39)23-43-28-19-17-27(18-20-28)37(41)42/h7-20,24,29,31-33,35,38H,21-23H2,1-6H3/t29-,31+,32+,33-,35+/m1/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)C3=C(C=CC(=C3)O)O[C@@H]2C4=CC=C(C=C4)O
InChI: InChI=1S/C17H16O5S/c18-11-3-1-10(2-4-11)17-15-9-23(20,21)8-14(15)13-7-12(19)5-6-16(13)22-17/h1-7,14-15,17-19H,8-9H2/t14-,15-,17-/m1/s1
SMILES: CC[C@](C)([C@@H]1[C@H]([C@@H]2[C@H](O1)OC(O2)(C)C)C)O
InChI: InChI=1S/C12H22O4/c1-6-12(5,13)9-7(2)8-10(14-9)16-11(3,4)15-8/h7-10,13H,6H2,1-5H3/t7-,8+,9-,10+,12+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C3=C(CC4=CC=CC=C43)C(=C(C2=S)C#N)C5=CC=C(C=C5)N(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C35H35N3O9S/c1-18(39)43-17-28-31(44-19(2)40)32(45-20(3)41)33(46-21(4)42)34(47-28)38-30-25-10-8-7-9-23(25)15-26(30)29(27(16-36)35(38)48)22-11-13-24(14-12-22)37(5)6/h7-14,28,31-34H,15,17H2,1-6H3/t28-,31-,32+,33-,34-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O
InChI: InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18+,19-,20-,21-/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl
InChI: InChI=1S/C14H20ClNO4S2/c1-14(2,3)10-4-6-11(7-5-10)22(19,20)16-13-9-21(17,18)8-12(13)15/h4-7,12-13,16H,8-9H2,1-3H3/t12-,13+/m0/s1
SMILES: CC(=O)N[C@H]1[C@@H]([C@H]2[C@H](COC(O2)(C)C)O[C@@H]1OC3=CC4=CC=CC=C4C=C3)O
InChI: InChI=1S/C21H25NO6/c1-12(23)22-17-18(24)19-16(11-25-21(2,3)28-19)27-20(17)26-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16-20,24H,11H2,1-3H3,(H,22,23)/t16-,17-,18-,19+,20-/m0/s1
SMILES: CCOC(=O)C1=NN[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C15H15N3O5/c1-3-23-15(21)12-10-11(16-17-12)14(20)18(13(10)19)8-4-6-9(22-2)7-5-8/h4-7,10-11,16H,3H2,1-2H3/t10-,11+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)Br)OC(=O)C3=CC(=CC=C3)C(F)(F)F)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C27H20BrF3O7/c28-23-22(38-26(34)18-12-7-13-19(14-18)27(29,30)31)21(37-25(33)17-10-5-2-6-11-17)20(36-23)15-35-24(32)16-8-3-1-4-9-16/h1-14,20-23H,15H2/t20-,21-,22-,23-/m1/s1
SMILES: C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@H]4CNCC5=CC(=C(C=C5)OC)OC)C
InChI: InChI=1S/C24H33NO5/c1-14-6-5-9-23(2)11-19-20(21-24(14,23)30-21)16(22(26)29-19)13-25-12-15-7-8-17(27-3)18(10-15)28-4/h7-8,10,14,16,19-21,25H,5-6,9,11-13H2,1-4H3/t14-,16-,19+,20+,21-,23+,24-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C24H54O4Si3/c1-17-18(25)20(27-30(13,14)23(5,6)7)21(28-31(15,16)24(8,9)10)19(17)26-29(11,12)22(2,3)4/h17-21,25H,1-16H3/t17-,18-,19-,20+,21+/m1/s1
SMILES: C/C=C\1/C[N+]2([C@H]3C[C@@H]1[C@H]([C@@H]2CC4=C3NC5=CC=CC=C45)C(=O)OC)C
InChI: InChI=1S/C21H25N2O2/c1-4-12-11-23(2)17-10-15-13-7-5-6-8-16(13)22-20(15)18(23)9-14(12)19(17)21(24)25-3/h4-8,14,17-19,22H,9-11H2,1-3H3/q+1/b12-4-/t14-,17-,18-,19+,23?/m0/s1
SMILES: CCOC(=O)C1=CN=C(C(=C1C)C#N)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C16H20N2O7S/c1-3-24-15(23)9-5-18-14(8(4-17)7(9)2)26-16-13(22)12(21)11(20)10(6-19)25-16/h5,10-13,16,19-22H,3,6H2,1-2H3/t10-,11-,12+,13-,16+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]3[C@@H](C4=CC=CC=C4OC3=O)C5=C(S2)NC(=O)S5
InChI: InChI=1S/C20H15NO4S2/c1-24-11-8-6-10(7-9-11)16-15-14(17-18(26-16)21-20(23)27-17)12-4-2-3-5-13(12)25-19(15)22/h2-9,14-16H,1H3,(H,21,23)/t14-,15+,16+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=C\3/C(=O)OC(=N3)C4=CC=C(C=C4)F
InChI: InChI=1S/C18H14FNO3/c1-10-8-14(10)16-7-6-13(22-16)9-15-18(21)23-17(20-15)11-2-4-12(19)5-3-11/h2-7,9-10,14H,8H2,1H3/b15-9-/t10-,14+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CN=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H22N4O10/c1-7(21)26-6-11-13(27-8(2)22)14(28-9(3)23)15(29-10(4)24)16(30-11)19-12(25)5-18-20-17/h11,13-16H,5-6H2,1-4H3,(H,19,25)/t11-,13-,14+,15-,16-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N/N=C\2/C[C@@H]3[C@@H]2CC=C3
InChI: InChI=1S/C17H21N3O3S/c1-12-6-8-14(9-7-12)24(22,23)20(2)11-17(21)19-18-16-10-13-4-3-5-15(13)16/h3-4,6-9,13,15H,5,10-11H2,1-2H3,(H,19,21)/b18-16-/t13-,15+/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl
InChI: InChI=1S/C18H19ClN2O3/c19-16-8-15(4-3-13(16)9-20)21-17(22)10-24-18(23)7-14-6-11-1-2-12(14)5-11/h3-4,8,11-12,14H,1-2,5-7,10H2,(H,21,22)/t11-,12+,14+/m0/s1
SMILES: CCCC[C@@]1([C@H]2[C@@H]([C@@H](N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C22H24N2O4S/c1-3-4-12-22(21(27)28-2)17-16(18(23-22)15-11-8-13-29-15)19(25)24(20(17)26)14-9-6-5-7-10-14/h5-11,13,16-18,23H,3-4,12H2,1-2H3/t16-,17-,18-,22+/m0/s1
SMILES: CC(C)CCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)CO)C(=O)NCCO)C(=O)CC4=CC=CC=C4
InChI: InChI=1S/C30H38N2O7/c1-18(2)9-11-32(25(35)15-19-7-5-4-6-8-19)23-16-22(30(37)31-10-12-33)26-21-13-20(17-34)14-24(38-3)28(21)39-29(26)27(23)36/h4-8,13-14,16,18,23,26-27,29,33-34,36H,9-12,15,17H2,1-3H3,(H,31,37)/t23-,26+,27+,29+/m1/s1
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C22H25NO5S/c1-3-28-22(27)18-17(14-10-8-13(2)9-11-14)12-29-20(18)23-19(24)15-6-4-5-7-16(15)21(25)26/h8-12,15-16H,3-7H2,1-2H3,(H,23,24)(H,25,26)/p-1/t15-,16+/m1/s1
SMILES: CCCCCCCCCCOC[C@]12[C@H]([C@@H]([C@@H](O1)CCCN3CCCCC3)OC(=O)NC4=CC=C(C=C4)Cl)OC(O2)(C)C
InChI: InChI=1S/C33H53ClN2O6/c1-4-5-6-7-8-9-10-14-24-38-25-33-30(41-32(2,3)42-33)29(39-31(37)35-27-19-17-26(34)18-20-27)28(40-33)16-15-23-36-21-12-11-13-22-36/h17-20,28-30H,4-16,21-25H2,1-3H3,(H,35,37)/t28-,29+,30-,33-/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)C4=CC=CC(=C4)CNC(=O)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CN7CCC(CC7)N8C9=CC=CC=C9NC8=O
InChI: InChI=1S/C54H57N5O7S/c1-36-18-24-46(25-19-36)67(63,64)57-48(31-38-10-4-3-5-11-38)52(61)55-33-40-12-8-13-42(30-40)43-14-9-15-44(32-43)53-65-50(37(2)51(66-53)41-22-20-39(35-60)21-23-41)34-58-28-26-45(27-29-58)59-49-17-7-6-16-47(49)56-54(59)62/h3-25,30,32,37,45,48,50-51,53,57,60H,26-29,31,33-35H2,1-2H3,(H,55,61)(H,56,62)/t37-,48-,50+,51+,53+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@]13CC[C@@]4([C@@H](C3)[C@@H]([C@@]2(O4)C)NC(=O)[C@](C5=CC=CC=C5)(C(F)(F)F)OC)C
InChI: InChI=1S/C25H32F3NO3/c1-15-10-11-18-22(3)19(17-14-23(15,18)13-12-21(17,2)32-22)29-20(30)24(31-4,25(26,27)28)16-8-6-5-7-9-16/h5-9,15,17-19H,10-14H2,1-4H3,(H,29,30)/t15-,17+,18-,19+,21-,22-,23+,24-/m1/s1
SMILES: CON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCCN5CC5)CCCCO)CCCCO)OCC=C)N(CCOCCO)C(=O)OCCOCC6=CC=CC=C6
InChI: InChI=1S/C46H65N3O11/c1-3-24-59-46-42(49(20-25-55-27-23-52)45(53)58-29-28-56-33-34-11-5-4-6-12-34)32-40(47-54-2)38-30-35(13-7-9-21-50)37(14-8-10-22-51)43(44(38)46)39-31-36(15-16-41(39)60-46)57-26-19-48-17-18-48/h3-6,11-12,15-16,30-31,35,37,42-44,50-52H,1,7-10,13-14,17-29,32-33H2,2H3/t35-,37+,42-,43+,44+,46+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4F
InChI: InChI=1S/C21H18FNO4/c22-18-8-4-3-7-17(18)21(26)27-14-11-9-13(10-12-14)23-19(24)15-5-1-2-6-16(15)20(23)25/h3-4,7-12,15-16H,1-2,5-6H2/t15-,16-/m1/s1
SMILES: CC(C)(C)OP(=O)(CC1=CC=C(C=C1)[C@H]2CCCN([C@@H]2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(C)(C)C
InChI: InChI=1S/C36H44NO7P/c1-35(2,3)43-45(41,44-36(4,5)6)23-24-17-19-25(20-18-24)26-16-11-21-37(32(26)33(38)39)34(40)42-22-31-29-14-9-7-12-27(29)28-13-8-10-15-30(28)31/h7-10,12-15,17-20,26,31-32H,11,16,21-23H2,1-6H3,(H,38,39)/t26-,32+/m1/s1
SMILES: CC(=NO)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C23H33NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21,26H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1
SMILES: CC1=CC=CC=C1[C@@H]2CN(CC[C@@H]2N)C3=CC(=C(C(=C3)OC)OC)OC.Cl
InChI: InChI=1S/C21H28N2O3.ClH/c1-14-7-5-6-8-16(14)17-13-23(10-9-18(17)22)15-11-19(24-2)21(26-4)20(12-15)25-3;/h5-8,11-12,17-18H,9-10,13,22H2,1-4H3;1H/t17-,18-;/m0./s1
SMILES: CCCN1C(=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=C5OC)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl
InChI: InChI=1S/C30H23Cl2F5N2O6/c1-3-9-38-25(41)12-8-7-11-13(16(12)26(38)42)10-29(31)27(43)39(24-22(36)20(34)19(33)21(35)23(24)37)28(44)30(29,32)18(11)17-14(40)5-4-6-15(17)45-2/h4-7,12-13,16,18,40H,3,8-10H2,1-2H3/t12-,13+,16-,18+,29+,30-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CN=CC=C5
InChI: InChI=1S/C23H19N3O3/c27-22-19-20(17-10-7-13-24-14-17)26(18-11-5-2-6-12-18)29-21(19)23(28)25(22)15-16-8-3-1-4-9-16/h1-14,19-21H,15H2/t19-,20+,21-/m1/s1
SMILES: C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H]2C[C@@H](O2)[C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O
InChI: InChI=1S/C33H53NO8/c1-9-10-11-20(4)31(42-33(34)39)23(7)28-17-26(40-28)15-18(2)14-21(5)29(36)19(3)12-13-25(35)16-27-22(6)30(37)24(8)32(38)41-27/h9-14,19-31,35-37H,1,15-17H2,2-8H3,(H2,34,39)/b11-10-,13-12-,18-14-/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28+,29-,30-,31-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC3=NC(=NO3)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C18H19ClN4O3/c1-11-5-2-3-8-18(11)16(24)23(17(25)21-18)10-14-20-15(22-26-14)12-6-4-7-13(19)9-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,21,25)/t11-,18+/m1/s1
SMILES: C1CCCC[C@H]2[C@@H]3[C@H](C4C(=C2CCCC1)C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6
InChI: InChI=1S/C29H32N2O2/c32-28-25-21-16-10-5-3-1-2-4-9-15-20(21)24-22-17-11-12-18-23(22)30-27(24)26(25)29(33)31(28)19-13-7-6-8-14-19/h6-8,11-14,17-18,21,25-27,30H,1-5,9-10,15-16H2/t21-,25-,26-,27?/m1/s1
SMILES: CC1(O[C@@H]2CO[C@]3(CN(C(=O)O3)C(=O)C(C)(C)C)[C@H]([C@@H]2O1)O)C
InChI: InChI=1S/C15H23NO7/c1-13(2,3)11(18)16-7-15(23-12(16)19)10(17)9-8(6-20-15)21-14(4,5)22-9/h8-10,17H,6-7H2,1-5H3/t8-,9-,10+,15+/m1/s1
SMILES: CCOC(=O)C1=NC(=C(N=C1Cl)Cl)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C12H14Cl2N2O6/c1-2-21-12(20)6-11(14)16-10(13)5(15-6)9-8(19)7(18)4(3-17)22-9/h4,7-9,17-19H,2-3H2,1H3/t4-,7-,8-,9+/m1/s1
SMILES: COC1=CC=C(C=C1)C2OC[C@H]3[C@H](O2)[C@H]([C@H]([C@H](O3)OCCC4=CN(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6)O)OCC7=CC=CC=C7
InChI: InChI=1S/C37H37NO9S/c1-42-28-18-16-26(17-19-28)36-45-24-32-34(47-36)35(44-23-25-10-4-2-5-11-25)33(39)37(46-32)43-21-20-27-22-38(31-15-9-8-14-30(27)31)48(40,41)29-12-6-3-7-13-29/h2-19,22,32-37,39H,20-21,23-24H2,1H3/t32-,33+,34-,35-,36?,37-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)CC(C)C
InChI: InChI=1S/C36H41N5O6S/c1-23(2)21-41(48(45,46)27-16-13-24(3)14-17-27)22-32-34(47-32)30(19-25-9-5-4-6-10-25)39-36(44)31(20-33(37)42)40-35(43)29-18-15-26-11-7-8-12-28(26)38-29/h4-18,23,30-32,34H,19-22H2,1-3H3,(H2,37,42)(H,39,44)(H,40,43)/t30-,31?,32-,34+/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)N2CCOCC2)C3=CC=CC=C3)CCCO
InChI: InChI=1S/C21H29NO5/c1-2-26-21-17(9-6-12-23)18(16-7-4-3-5-8-16)15-19(27-21)20(24)22-10-13-25-14-11-22/h3-5,7-8,15,17-18,21,23H,2,6,9-14H2,1H3/t17-,18+,21+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]([C@H]2COC[C@@H]2[C@@H](C3=CC(=C(C=C3)CC4=CC=CC=C4)OC)O)O)CC5=CC=CC=C5
InChI: InChI=1S/C34H36O5/c1-37-31-19-27(15-13-25(31)17-23-9-5-3-6-10-23)33(35)29-21-39-22-30(29)34(36)28-16-14-26(32(20-28)38-2)18-24-11-7-4-8-12-24/h3-16,19-20,29-30,33-36H,17-18,21-22H2,1-2H3/t29-,30-,33-,34+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC(=NC3=CC=C(C=C3)C(F)(F)F)SCC4=CC=C(C=C4)C(F)(F)F)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C50H37F6NO10S/c51-49(52,53)36-23-21-31(22-24-36)30-68-48(57-38-27-25-37(26-28-38)50(54,55)56)67-47-42(66-46(61)35-19-11-4-12-20-35)41(65-45(60)34-17-9-3-10-18-34)40(64-44(59)33-15-7-2-8-16-33)39(63-47)29-62-43(58)32-13-5-1-6-14-32/h1-28,39-42,47H,29-30H2/t39-,40-,41+,42-,47-/m1/s1
SMILES: C1[C@H]([C@@H](CN1)OC(=O)C2=CC3=C(C(=C2)O)C(=O)C4=C(C3=O)C=CC=C4O)NC(=O)C5=CC=C(C=C5)O
InChI: InChI=1S/C26H20N2O8/c29-14-6-4-12(5-7-14)25(34)28-17-10-27-11-20(17)36-26(35)13-8-16-22(19(31)9-13)24(33)21-15(23(16)32)2-1-3-18(21)30/h1-9,17,20,27,29-31H,10-11H2,(H,28,34)/t17-,20-/m1/s1
SMILES: CC(C)(C)OC(=O)N1C[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C(F)(F)F)OCOC)OCOC)CO
InChI: InChI=1S/C17H29F3N2O8/c1-16(2,3)30-15(25)22-6-10(7-23)11(28-8-26-4)12(29-9-27-5)13(22)21-14(24)17(18,19)20/h10-13,23H,6-9H2,1-5H3,(H,21,24)/t10-,11-,12+,13+/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)C3=C(N(C(=C3)C)CC(F)(F)F)C
InChI: InChI=1S/C19H24F3N3O3/c1-11-6-4-5-7-18(11)16(27)24(17(28)23-18)9-15(26)14-8-12(2)25(13(14)3)10-19(20,21)22/h8,11H,4-7,9-10H2,1-3H3,(H,23,28)/t11-,18-/m1/s1
SMILES: CC(C)CCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)CO)C(=O)NCCO)C(=O)C4CCOC4
InChI: InChI=1S/C27H38N2O8/c1-15(2)4-7-29(27(34)17-5-9-36-14-17)20-12-19(26(33)28-6-8-30)22-18-10-16(13-31)11-21(35-3)24(18)37-25(22)23(20)32/h10-12,15,17,20,22-23,25,30-32H,4-9,13-14H2,1-3H3,(H,28,33)/t17?,20-,22+,23+,25+/m1/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OCC3CC3)C(=O)CN)C)O
InChI: InChI=1S/C20H30N2O4/c1-13(23)20(2)12-22(19(24)9-21)10-16(20)15-6-7-17(25-3)18(8-15)26-11-14-4-5-14/h6-8,13-14,16,23H,4-5,9-12,21H2,1-3H3/t13-,16+,20+/m1/s1
SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)C[C@@H]4[C@H](COC4=O)CC5=CC=C(C=C5)F
InChI: InChI=1S/C24H26FN3O3/c25-18-7-5-16(6-8-18)13-17-15-31-23(29)20(17)14-27-11-9-19(10-12-27)28-22-4-2-1-3-21(22)26-24(28)30/h1-8,17,19-20H,9-15H2,(H,26,30)/t17-,20+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)S[C@@H]3CC4=CN=CN4C3)C(=O)O)O
InChI: InChI=1S/C14H15N3O4S2/c1-6(18)9-11(19)17-10(13(20)21)14(23-12(9)17)22-8-2-7-3-15-5-16(7)4-8/h3,5-6,8-9,12,18H,2,4H2,1H3,(H,20,21)/t6-,8-,9+,12-/m1/s1
SMILES: CN([C@H](CC1=CC=CC=C1)C(=O)NCCO)C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC(=C4)C=CCC5=CC=CC=C5O)OC6(O3)CC7=CC=CC=C7C6
InChI: InChI=1S/C44H44N2O8/c1-46(36(41(49)45-21-22-47)24-30-11-3-2-4-12-30)42(50)35-25-38(40-39(26-35)53-44(54-40)27-33-16-5-6-17-34(33)28-44)52-43(51)32-19-10-14-29(23-32)13-9-18-31-15-7-8-20-37(31)48/h2-17,19-20,23,26,36,38-40,47-48H,18,21-22,24-25,27-28H2,1H3,(H,45,49)/t36-,38-,39-,40+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCCCCCCCF)CO)O
InChI: InChI=1S/C20H29FN2O5/c21-11-9-7-5-3-1-2-4-6-8-10-15-13-23(20(27)22-19(15)26)18-12-16(25)17(14-24)28-18/h13,16-18,24-25H,1-7,9,11-12,14H2,(H,22,26,27)/t16-,17+,18+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=CC=C2SCC(=O)NC(C)C
InChI: InChI=1S/C22H32N2O4S/c1-14(2)23-20(25)13-29-19-12-8-6-10-17(19)22(27)28-16(4)21(26)24-18-11-7-5-9-15(18)3/h6,8,10,12,14-16,18H,5,7,9,11,13H2,1-4H3,(H,23,25)(H,24,26)/t15-,16+,18+/m0/s1
SMILES: CC1=CC(=C(C=C1)S[C@H]2[C@@H]([C@H]([C@@H](O[C@@]2(C(=O)OC)Cl)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C
InChI: InChI=1S/C28H36ClNO12S/c1-13-9-10-21(14(2)11-13)43-26-25(41-19(7)35)22(30-15(3)31)24(42-28(26,29)27(36)37-8)23(40-18(6)34)20(39-17(5)33)12-38-16(4)32/h9-11,20,22-26H,12H2,1-8H3,(H,30,31)/t20-,22+,23-,24-,25-,26+,28+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H]([C@@H](S[C@@H]1C(=O)O)N2C=NC3=C(N=C(N=C32)Cl)NC4CCCC4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H46ClN5O4SSi2/c1-26(2,3)39(7,8)36-18-19(37-40(9,10)27(4,5)6)23(38-20(18)24(34)35)33-15-29-17-21(30-16-13-11-12-14-16)31-25(28)32-22(17)33/h15-16,18-20,23H,11-14H2,1-10H3,(H,34,35)(H,30,31,32)/t18-,19+,20-,23+/m0/s1
SMILES: CCOC1=C(C=C(C=C1)C(=O)NNC(=S)N[C@H]2CCC[C@@H]([C@@H]2C)C)[N+](=O)[O-]
InChI: InChI=1S/C18H26N4O4S/c1-4-26-16-9-8-13(10-15(16)22(24)25)17(23)20-21-18(27)19-14-7-5-6-11(2)12(14)3/h8-12,14H,4-7H2,1-3H3,(H,20,23)(H2,19,21,27)/t11-,12-,14-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]([C@H]2OCC3=CC=C(C=C3)OC)[C@H](C=C)OCC4=CC=CC=C4)OCC[Si](C)(C)C)C
InChI: InChI=1S/C31H44O7Si/c1-8-25(34-20-22-12-10-9-11-13-22)26-27(35-21-23-14-16-24(32-4)17-15-23)28-29(38-31(2,3)37-28)30(36-26)33-18-19-39(5,6)7/h8-17,25-30H,1,18-21H2,2-7H3/t25-,26+,27+,28-,29-,30-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]
InChI: InChI=1S/C18H21N3O6/c1-11-4-2-3-5-18(11)16(22)20(17(23)19-18)8-12-6-14(21(24)25)7-13-9-26-10-27-15(12)13/h6-7,11H,2-5,8-10H2,1H3,(H,19,23)/t11-,18+/m0/s1
SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=C(C=C7)OCC8=CC=CC=C8)O)Cl)CBr)Cl
InChI: InChI=1S/C38H34BrCl2N3O7/c39-21-43-35(48)37(40)19-29-26(32(38(37,41)36(43)49)27-11-10-25(18-30(27)45)51-20-22-4-2-1-3-5-22)12-13-28-31(29)34(47)44(33(28)46)24-8-6-23(7-9-24)42-14-16-50-17-15-42/h1-12,18,28-29,31-32,45H,13-17,19-21H2/t28-,29+,31-,32+,37+,38-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C[C@@H]2[C@@H]3C(=C([C@H](C2=O)O3)OC)[Se]C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H32O12Se/c1-13(29)35-12-20-24(37-15(3)31)26(38-16(4)32)23(36-14(2)30)19(39-20)11-18-21(33)25-27(34-5)28(22(18)40-25)41-17-9-7-6-8-10-17/h6-10,18-20,22-26H,11-12H2,1-5H3/t18-,19+,20+,22+,23-,24-,25-,26+/m0/s1
SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H](C(=O)O3)O)O)O)Cl
InChI: InChI=1S/C20H21ClO6/c1-2-26-14-6-3-11(4-7-14)9-13-10-12(5-8-15(13)21)19-17(23)16(22)18(24)20(25)27-19/h3-8,10,16-19,22-24H,2,9H2,1H3/t16-,17-,18+,19+/m1/s1
SMILES: C[N@+]1(CCC2=CC(=C(C(=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)/C=C(/C(=O)OCCC[N@+]4(CCC5=CC(=C(C=C5[C@@H]4C6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C)\Cl.[Cl-].[Cl-]
InChI: InChI=1S/C54H71ClN2O15.2ClH/c1-56(20-17-35-28-46(66-9)52(69-12)53(70-13)48(35)39(56)24-33-25-42(62-5)50(67-10)43(26-33)63-6)18-14-22-71-47(58)32-38(55)54(59)72-23-15-19-57(2)21-16-34-27-40(60-3)41(61-4)31-37(34)49(57)36-29-44(64-7)51(68-11)45(30-36)65-8;;/h25-32,39,49H,14-24H2,1-13H3;2*1H/q+2;;/p-2/b38-32-;;/t39-,49+,56-,57+;;/m1../s1
SMILES: C[C@H]1[C@@H]([C@@H]2[C@H]([C@@H](O1)SC3=CC=CC=C3)OC(O2)(C)C)OCC4=CC=CC=C4
InChI: InChI=1S/C22H26O4S/c1-15-18(23-14-16-10-6-4-7-11-16)19-20(26-22(2,3)25-19)21(24-15)27-17-12-8-5-9-13-17/h4-13,15,18-21H,14H2,1-3H3/t15-,18-,19+,20+,21-/m0/s1
SMILES: CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C21H27N3O2S/c1-14-11-18(24-26-14)13-27-21-19(7-4-10-22-21)20(25)23-17-9-8-15-5-2-3-6-16(15)12-17/h4,7,10-11,15-17H,2-3,5-6,8-9,12-13H2,1H3,(H,23,25)/t15-,16-,17-/m1/s1
SMILES: C1CC(CCC1C2=CC(=CC=C2)F)N3C[C@@H]([C@H](C3)O)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F
InChI: InChI=1S/C26H29F4N3O3/c27-20-6-2-3-17(12-20)16-7-9-21(10-8-16)33-14-22(23(34)15-33)32-24(35)13-31-25(36)18-4-1-5-19(11-18)26(28,29)30/h1-6,11-12,16,21-23,34H,7-10,13-15H2,(H,31,36)(H,32,35)/t16?,21?,22-,23-/m0/s1
SMILES: CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C21H23NO4/c1-14-6-10-16(11-7-14)26-17-12-8-15(9-13-17)22-20(23)18-4-2-3-5-19(18)21(24)25/h6-13,18-19H,2-5H2,1H3,(H,22,23)(H,24,25)/t18-,19+/m1/s1
SMILES: CCCCOC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O
InChI: InChI=1S/C23H40N4O11/c1-5-6-9-36-22(34)14(7-8-16(24)30)27-20(32)11(2)25-21(33)12(3)37-19-17(26-13(4)29)23(35)38-15(10-28)18(19)31/h11-12,14-15,17-19,23,28,31,35H,5-10H2,1-4H3,(H2,24,30)(H,25,33)(H,26,29)(H,27,32)/t11-,12+,14+,15+,17+,18+,19+,23?/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](C=C(O1)C2=CC=CO2)N(C)C(=O)OC(C)(C)C)OC
InChI: InChI=1S/C17H25NO5/c1-11-15(20-6)12(18(5)16(19)23-17(2,3)4)10-14(22-11)13-8-7-9-21-13/h7-12,15H,1-6H3/t11-,12-,15-/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N3C(=O)C(NC3(C)C)C4=CC=C(C=C4)O)C(=O)OCOC)C
InChI: InChI=1S/C21H27N3O6S/c1-20(2)15(19(28)30-10-29-5)23-17(27)14(18(23)31-20)24-16(26)13(22-21(24,3)4)11-6-8-12(25)9-7-11/h6-9,13-15,18,22,25H,10H2,1-5H3/t13?,14-,15+,18-/m1/s1