EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)[C@H]1CCC2[C@@]1(CC(=O)C3C2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14-,15?,16-,17?,19?,20+,21-/m1/s1
SMILES: CCOC(=O)C1CC=C2[C@@H](C1C(=O)OCC)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5[C@@]4(CCC(=O)N5)C)C
InChI: InChI=1S/C28H41NO5/c1-5-33-25(31)17-7-9-19-18(24(17)26(32)34-6-2)15-21-16-8-10-22-28(4,14-12-23(30)29-22)20(16)11-13-27(19,21)3/h9,16-18,20-22,24H,5-8,10-15H2,1-4H3,(H,29,30)/t16-,17?,18+,20+,21+,22?,24?,27-,28-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)/N=C\C4=CC=C(O4)C5=CC=CC=C5C(=O)O
InChI: InChI=1S/C21H16N2O5/c24-19-17-11-5-6-12(9-11)18(17)20(25)23(19)22-10-13-7-8-16(28-13)14-3-1-2-4-15(14)21(26)27/h1-8,10-12,17-18H,9H2,(H,26,27)/b22-10-/t11-,12+,17-,18+
SMILES: CCOC1=NC2=C(C=CC(=C2C)OC)C(=C1)O[C@@H]3C[C@@H](N(C3)C(=O)[C@H](C(C)(C)C)O)C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)N(C)OC
InChI: InChI=1S/C32H45N5O10S/c1-10-19-16-32(19,30(41)35-48(42,43)36(7)45-9)34-28(39)22-14-20(17-37(22)29(40)27(38)31(4,5)6)47-24-15-25(46-11-2)33-26-18(3)23(44-8)13-12-21(24)26/h10,12-13,15,19-20,22,27,38H,1,11,14,16-17H2,2-9H3,(H,34,39)(H,35,41)/t19-,20-,22-,27-,32-/m1/s1
SMILES: CC1=C(C(=CC=C1)C)N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]5([C@@H]3C2=O)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C24H23N3O3/c1-13-7-5-8-14(2)20(13)27-21(28)18-17-11-6-12-26(17)24(19(18)22(27)29)15-9-3-4-10-16(15)25-23(24)30/h3-5,7-10,17-19H,6,11-12H2,1-2H3,(H,25,30)/t17-,18+,19-,24+/m0/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: C[C@@H]1CC[C@@H]2[C@@H](C1)N(C3=C(C2(C)C)N=C(C=C3)OC)C
InChI: InChI=1S/C17H26N2O/c1-11-6-7-12-14(10-11)19(4)13-8-9-15(20-5)18-16(13)17(12,2)3/h8-9,11-12,14H,6-7,10H2,1-5H3/t11-,12-,14-/m1/s1
SMILES: C1CC2[C@H]([C@@H](CC1N2)C3=CC(=CC=C3)Cl)COC4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C20H20Cl3NO/c21-13-4-1-3-12(9-13)15-10-14-7-8-18(24-14)16(15)11-25-19-6-2-5-17(22)20(19)23/h1-6,9,14-16,18,24H,7-8,10-11H2/t14?,15-,16-,18?/m0/s1
SMILES: C[C@H]1/C=C/C([C@@H]([C@@H]([C@H]([C@@]2(CCC(=O)O[C@@H]2[C@H]3[C@H]([C@](C[C@@]3(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C(C)C)OC(=O)C)OC(=O)C)(C)C
InChI: InChI=1S/C43H54O17/c1-22(2)38(51)57-37-32(53-24(4)44)36(55-26(6)46)40(9,10)19-17-23(3)33(50)43(59-28(8)48)21-41(11,58-27(7)47)34(54-25(5)45)31(43)35-42(37,20-18-30(49)56-35)60-39(52)29-15-13-12-14-16-29/h12-17,19,22-23,31-32,34-37H,18,20-21H2,1-11H3/b19-17+/t23-,31+,32-,34+,35+,36+,37+,41+,42-,43+/m0/s1
SMILES: COCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C16H20N2O6S2/c1-22-7-15(19)17-16-18(12-8-26(20,21)9-14(12)25-16)11-6-10(23-2)4-5-13(11)24-3/h4-6,12,14H,7-9H2,1-3H3/t12-,14+/m1/s1
SMILES: CC[NH+](CC)CC.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)[O-])OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI: InChI=1S/C31H31N2O9P.C6H15N/c1-20-18-33(30(35)32-29(20)34)28-17-26(27(41-28)19-40-43(36)37)42-31(21-7-5-4-6-8-21,22-9-13-24(38-2)14-10-22)23-11-15-25(39-3)16-12-23;1-4-7(5-2)6-3/h4-16,18,26-28H,17,19H2,1-3H3,(H,32,34,35);4-6H2,1-3H3/p+1/t26-,27+,28+;/m0./s1
SMILES: C[C@@]1([C@](O[C@H]2[C@H](O1)CC(=C)[C@@H]([C@H]2O[Si](C)(C)C(C)(C)C)O)(C)OC)OC
InChI: InChI=1S/C19H36O6Si/c1-12-11-13-15(24-19(6,22-8)18(5,21-7)23-13)16(14(12)20)25-26(9,10)17(2,3)4/h13-16,20H,1,11H2,2-10H3/t13-,14+,15+,16-,18-,19-/m1/s1
SMILES: CC1=CC(=CC=C1)NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H22N2O5/c1-12-6-5-7-14(10-12)21-17(23)11-27-20(26)13(2)22-18(24)15-8-3-4-9-16(15)19(22)25/h3-7,10,13,15-16H,8-9,11H2,1-2H3,(H,21,23)/t13-,15-,16+/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)O)C4=CC=CC=C4
InChI: InChI=1S/C19H17NO2/c21-19(22)13-9-10-17-16(11-13)14-7-4-8-15(14)18(20-17)12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20H,8H2,(H,21,22)/t14-,15-,18+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)O)N=C(S3)NC(=O)OCC=C)(C)CO)O
InChI: InChI=1S/C20H28N2O6S/c1-4-7-28-18(27)22-17-21-16-11(8-15(25)26)19(2)6-5-14(24)20(3,10-23)13(19)9-12(16)29-17/h4,11,13-14,23-24H,1,5-10H2,2-3H3,(H,25,26)(H,21,22,27)/t11-,13+,14-,19+,20+/m1/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC(=C(C=C3)F)Cl
InChI: InChI=1S/C18H14ClFN2O2/c1-10-6-14(10)17-5-3-13(24-17)7-11(9-21)18(23)22-12-2-4-16(20)15(19)8-12/h2-5,7-8,10,14H,6H2,1H3,(H,22,23)/b11-7+/t10-,14-/m1/s1
SMILES: CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CSCC
InChI: InChI=1S/C27H37FO5S/c1-6-23(32)33-27(22(31)15-34-7-2)16(3)12-20-19-9-8-17-13-18(29)10-11-24(17,4)26(19,28)21(30)14-25(20,27)5/h10-11,13,16,19-21,30H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCC(=C)C1=CCN2[C@H]1[C@H]([C@@H](C2=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H55NO4Si3/c1-20(19-31-34(11,12)26(2,3)4)21-17-18-29-22(21)23(32-35(13,14)27(5,6)7)24(25(29)30)33-36(15,16)28(8,9)10/h17,22-24H,1,18-19H2,2-16H3/t22-,23-,24+/m1/s1
SMILES: CC1=CC[C@@H]2[C@H]1[C@@H]3[C@@H]([C@@H](CC2=C)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O3
InChI: InChI=1S/C20H24O6/c1-10-4-5-14-11(2)8-15(25-20(24)13(9-22)6-7-21)17-12(3)19(23)26-18(17)16(10)14/h4,6,14-18,21-22H,2-3,5,7-9H2,1H3/b13-6+/t14-,15+,16-,17+,18+/m0/s1
SMILES: CCOC1=NC2=C(C=CC=C2C(=C1)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCC[C@@H](CC(=O)N4C3)NC(=O)OCCCF)C(=O)NS(=O)(=O)N(C)C)C
InChI: InChI=1S/C36H49FN6O9S/c1-5-50-30-20-29(27-15-10-12-23(2)32(27)39-30)52-26-19-28-33(45)40-36(34(46)41-53(48,49)42(3)4)21-24(36)13-8-6-7-9-14-25(18-31(44)43(28)22-26)38-35(47)51-17-11-16-37/h8,10,12-13,15,20,24-26,28H,5-7,9,11,14,16-19,21-22H2,1-4H3,(H,38,47)(H,40,45)(H,41,46)/b13-8-/t24-,25+,26-,28+,36-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C27H23BrO7/c1-17-21(33-25(29)18-11-5-2-6-12-18)22(34-26(30)19-13-7-3-8-14-19)23(24(28)32-17)35-27(31)20-15-9-4-10-16-20/h2-17,21-24H,1H3/t17-,21+,22+,23-,24+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@H]2[C@@H]3C(=O)C[C@@H](C=C3NC4=NC=NN24)C5=CC=C(C=C5)F
InChI: InChI=1S/C24H23FN4O/c1-14(2)15-3-5-17(6-4-15)23-22-20(28-24-26-13-27-29(23)24)11-18(12-21(22)30)16-7-9-19(25)10-8-16/h3-11,13-14,18,22-23H,12H2,1-2H3,(H,26,27,28)/t18-,22+,23+/m1/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CC5=CC(=CC(=C5)F)F)O)C6=CC(=CC=C6)OC
InChI: InChI=1S/C33H32F2O3/c1-32-19-29(21-4-3-5-26(17-21)38-2)31-27-9-7-25(36)16-22(27)6-8-28(31)30(32)11-13-33(32,37)12-10-20-14-23(34)18-24(35)15-20/h3-5,14-18,28-30,37H,6-9,11,13,19H2,1-2H3/t28-,29+,30-,32-,33-/m0/s1
SMILES: CC1(O[C@H]2[C@H](C=C(C(=O)[C@H]2O1)C(=O)OC)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C17H28O6Si/c1-16(2,3)24(7,8)23-11-9-10(15(19)20-6)12(18)14-13(11)21-17(4,5)22-14/h9,11,13-14H,1-8H3/t11-,13-,14+/m0/s1
SMILES: C1CC1C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI: InChI=1S/C18H19F3N2O5/c19-18(20,21)10-2-1-3-11(6-10)22-17(25)28-13-8-27-14-12(7-26-15(13)14)23-16(24)9-4-5-9/h1-3,6,9,12-15H,4-5,7-8H2,(H,22,25)(H,23,24)/t12-,13+,14+,15+/m0/s1
SMILES: [2H][C@@]12C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]1C(C(=O)O[C@H](CCC[C@@H]([C@H](C2=O)C)O[Si](C)(C)C(C)(C)C)CC)([2H])[2H])O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C36H64O5Si2/c1-13-25-15-14-16-32(41-43(11,12)36(6,7)8)23(2)34(38)31-21-29-27(30(31)22-33(37)39-25)18-17-24-19-26(20-28(24)29)40-42(9,10)35(3,4)5/h17-18,23-32H,13-16,19-22H2,1-12H3/t23-,24-,25+,26-,27-,28-,29-,30+,31-,32+/m1/s1/i22D2,31D
SMILES: CCCCCC(/C=C/[C@@H]1C=C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H46O4Si/c1-7-8-11-14-22(30-31(5,6)26(2,3)4)19-17-21-18-20-24(27)23(21)15-12-9-10-13-16-25(28)29/h9,12,17-24,27H,7-8,10-11,13-16H2,1-6H3,(H,28,29)/b12-9-,19-17+/t21-,22?,23-,24+/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C[C@@]43C)F)O)C
InChI: InChI=1S/C20H27FO3/c1-11(22)14-6-7-15-16-5-4-12-8-13(23)9-19(12,3)20(16,21)17(24)10-18(14,15)2/h8,14-17,24H,4-7,9-10H2,1-3H3/t14-,15+,16+,17+,18-,19+,20+/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)C3=C(ON=C3C)C
InChI: InChI=1S/C19H26N4O4/c1-6-26-19(25)16-8-14(16)9-23(10-15-7-11(2)22(5)20-15)18(24)17-12(3)21-27-13(17)4/h7,14,16H,6,8-10H2,1-5H3/t14-,16-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)[C@H]2CCC[C@H](C2=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H45NO4Si2/c1-15(27-29(8,9)22(2,3)4)18-19(24-21(18)26)16-13-12-14-17(20(16)25)28-30(10,11)23(5,6)7/h15-19H,12-14H2,1-11H3,(H,24,26)/t15-,16-,17-,18-,19-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)N
InChI: InChI=1S/C15H16N2O2/c16-10-3-5-11(6-4-10)17-14(18)12-8-1-2-9(7-8)13(12)15(17)19/h3-6,8-9,12-13H,1-2,7,16H2/t8-,9+,12+,13-
SMILES: CC(=O)C[C@H]1[C@]2(CN(C[C@@]1(C(=O)C=C2)[N+](=O)[O-])C)[N+](=O)[O-]
InChI: InChI=1S/C12H15N3O6/c1-8(16)5-9-11(14(18)19)4-3-10(17)12(9,15(20)21)7-13(2)6-11/h3-4,9H,5-7H2,1-2H3/t9-,11-,12+/m0/s1
SMILES: C[C@]12CC3=C(C=C1CCC[C@]24CC[C@H](O4)C5=CC=CC=C5)N(N=C3)C6=CC=C(C=C6)F
InChI: InChI=1S/C27H27FN2O/c1-26-17-20-18-29-30(23-11-9-22(28)10-12-23)24(20)16-21(26)8-5-14-27(26)15-13-25(31-27)19-6-3-2-4-7-19/h2-4,6-7,9-12,16,18,25H,5,8,13-15,17H2,1H3/t25-,26-,27-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OP(OCCC#N)OC(C5=CC(=CC(=C5)OC)OC)C(=O)C6=CC=CC=C6
InChI: InChI=1S/C45H50N3O10PSi/c1-31-29-48(44(51)47-43(31)50)40-28-38(39(56-40)30-55-60(45(2,3)4,36-19-12-8-13-20-36)37-21-14-9-15-22-37)57-59(54-24-16-23-46)58-42(41(49)32-17-10-7-11-18-32)33-25-34(52-5)27-35(26-33)53-6/h7-15,17-22,25-27,29,38-40,42H,16,24,28,30H2,1-6H3,(H,47,50,51)/t38-,39+,40+,42?,59?/m0/s1
SMILES: CSC1=CC=CC(=C1)NC(=S)NNC(=S)N[C@@H]2C[C@@H]3C[C@H]2C=C3
InChI: InChI=1S/C16H20N4S3/c1-23-13-4-2-3-12(9-13)17-15(21)19-20-16(22)18-14-8-10-5-6-11(14)7-10/h2-6,9-11,14H,7-8H2,1H3,(H2,17,19,21)(H2,18,20,22)/t10-,11+,14+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)SC5=CC6=CC=CC=C6C=C5)C
InChI: InChI=1S/C25H30O4S/c1-15-8-11-21-16(2)22(30-19-10-9-17-6-4-5-7-18(17)14-19)26-23-25(21)20(15)12-13-24(3,27-23)28-29-25/h4-7,9-10,14-16,20-23H,8,11-13H2,1-3H3/t15-,16-,20+,21+,22+,23-,24-,25-/m1/s1
SMILES: [2H]C1(CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(CC2=C1)([2H])[2H])CC[C@@H]4O)C)CO[Si](C)(C)C(C)(C)C)[2H]
InChI: InChI=1S/C25H44O2Si/c1-23(2,3)28(5,6)27-17-25-15-8-7-9-18(25)10-11-19-20-12-13-22(26)24(20,4)16-14-21(19)25/h9,19-22,26H,7-8,10-17H2,1-6H3/t19-,20-,21-,22-,24-,25+/m0/s1/i7D2,11D2
SMILES: C1=CC=C(C(=C1)[C@@H]2[C@@H]([C@@H](N=C(C2C#N)SCC(=O)N)N)C#N)Cl
InChI: InChI=1S/C15H14ClN5OS/c16-11-4-2-1-3-8(11)13-9(5-17)14(20)21-15(10(13)6-18)23-7-12(19)22/h1-4,9-10,13-14H,7,20H2,(H2,19,22)/t9-,10?,13+,14+/m0/s1
SMILES: CC(C)[C@H]1[C@@H](N([C@@H]([C@H](N1C(=O)C)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C)C(C)C
InChI: InChI=1S/C26H34N2O2/c1-17(2)23-24(18(3)4)28(20(6)30)26(22-15-11-8-12-16-22)25(27(23)19(5)29)21-13-9-7-10-14-21/h7-18,23-26H,1-6H3/t23-,24-,25+,26+/m0/s1
SMILES: C1CCC(CC1)NC(=O)[C@H]2[C@@H](OC(O2)C3=CC=CC=C3)C(=O)NC4CCCCC4
InChI: InChI=1S/C23H32N2O4/c26-21(24-17-12-6-2-7-13-17)19-20(22(27)25-18-14-8-3-9-15-18)29-23(28-19)16-10-4-1-5-11-16/h1,4-5,10-11,17-20,23H,2-3,6-9,12-15H2,(H,24,26)(H,25,27)/t19-,20-/m1/s1
SMILES: CC1=CC(=C(C=C1CSC2=CC=C(C=C2)Br)[C@H]3[C@@H]4CCCC=C4C(=C(C3(C#N)C#N)N)C#N)C
InChI: InChI=1S/C28H25BrN4S/c1-17-11-18(2)24(12-19(17)14-34-21-9-7-20(29)8-10-21)26-23-6-4-3-5-22(23)25(13-30)27(33)28(26,15-31)16-32/h5,7-12,23,26H,3-4,6,14,33H2,1-2H3/t23-,26-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]1C6=CC(=CC=C6)O)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C31H26N4O5/c1-31-24(27(37)33(28(31)38)20-10-4-2-5-11-20)18-25-23(26(31)19-9-8-14-22(36)17-19)15-16-32-29(39)34(30(40)35(25)32)21-12-6-3-7-13-21/h2-15,17,24-26,36H,16,18H2,1H3/t24-,25+,26-,31+/m0/s1
SMILES: CC(CCOP1(=S)N([C@H]([C@@H](N1C)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F)C)OP4(=S)N([C@H]([C@@H](N4C)C5=CC(=CC=C5)C(F)(F)F)C6=CC(=CC=C6)C(F)(F)F)C
InChI: InChI=1S/C40H40F12N4O2P2S2/c1-24(58-60(62)55(4)35(27-12-8-16-31(22-27)39(47,48)49)36(56(60)5)28-13-9-17-32(23-28)40(50,51)52)18-19-57-59(61)53(2)33(25-10-6-14-29(20-25)37(41,42)43)34(54(59)3)26-11-7-15-30(21-26)38(44,45)46/h6-17,20-24,33-36H,18-19H2,1-5H3/t24?,33-,34-,35-,36-/m0/s1
SMILES: CC[C@@H]1C[C@@H](C[C@@H]([C@]1(CS(=O)(=O)C2=CC=C(C=C2)C)O)C)O
InChI: InChI=1S/C17H26O4S/c1-4-14-10-15(18)9-13(3)17(14,19)11-22(20,21)16-7-5-12(2)6-8-16/h5-8,13-15,18-19H,4,9-11H2,1-3H3/t13-,14+,15+,17-/m0/s1
SMILES: CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C
InChI: InChI=1S/C21H28N2O5/c1-3-27-17-11-8-16(9-12-17)10-13-20(25)28-14-19(24)23-21(26)22-18-7-5-4-6-15(18)2/h8-13,15,18H,3-7,14H2,1-2H3,(H2,22,23,24,26)/b13-10+/t15-,18-/m0/s1
SMILES: C1CCC(C1)NC(=O)[C@H]2C[NH+]3CC[C@H]2C[C@@H]3CN4C=C(N=N4)C5=CC=CC=N5
InChI: InChI=1S/C21H28N6O/c28-21(23-16-5-1-2-6-16)18-13-26-10-8-15(18)11-17(26)12-27-14-20(24-25-27)19-7-3-4-9-22-19/h3-4,7,9,14-18H,1-2,5-6,8,10-13H2,(H,23,28)/p+1/t15-,17+,18-/m0/s1
SMILES: CC1=C2C(=CC=C1)[C@]3([C@H]4[C@@H]([C@H]5[NH+]3CCC5)C(=O)N(C4=O)C6=C(C(=CC=C6)[N+](=O)[O-])C)C(=O)N2
InChI: InChI=1S/C24H22N4O5/c1-12-6-3-7-14-20(12)25-23(31)24(14)19-18(17-10-5-11-26(17)24)21(29)27(22(19)30)15-8-4-9-16(13(15)2)28(32)33/h3-4,6-9,17-19H,5,10-11H2,1-2H3,(H,25,31)/p+1/t17-,18+,19-,24-/m0/s1
SMILES: CC1=NC=C(C=C1)C(=O)CNC(=O)/C=C(\C)/C[C@H]2[C@@H]([C@@H]([C@H](CO2)C[C@H]3[C@@H](O3)[C@@H](C)[C@H](C)O)O)O
InChI: InChI=1S/C25H36N2O7/c1-13(8-22(30)27-11-19(29)17-6-5-14(2)26-10-17)7-20-24(32)23(31)18(12-33-20)9-21-25(34-21)15(3)16(4)28/h5-6,8,10,15-16,18,20-21,23-25,28,31-32H,7,9,11-12H2,1-4H3,(H,27,30)/b13-8+/t15-,16-,18-,20-,21-,23+,24-,25-/m0/s1
SMILES: CCO[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)N(C2=O)COC(=O)[C@H](C(C)C)N)F
InChI: InChI=1S/C17H26FN3O7/c1-4-26-11-5-13(28-12(11)7-22)20-6-10(18)15(23)21(17(20)25)8-27-16(24)14(19)9(2)3/h6,9,11-14,22H,4-5,7-8,19H2,1-3H3/t11-,12+,13+,14-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC2=NC=NC3=C2C=C(C=C3Cl)Cl
InChI: InChI=1S/C17H19Cl2N3O2/c1-10-4-2-3-5-14(10)22-15(23)8-24-17-12-6-11(18)7-13(19)16(12)20-9-21-17/h6-7,9-10,14H,2-5,8H2,1H3,(H,22,23)/t10-,14+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)C2=C3C=CC4=CC=CC5=CC=C([C@]3([C@]54C)C)C=C2
InChI: InChI=1S/C26H22O/c1-17(27)18-7-9-19(10-8-18)23-15-13-22-12-11-20-5-4-6-21-14-16-24(23)26(22,3)25(20,21)2/h4-16H,1-3H3/t25-,26-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=CC=C5)O)CO)O)O)O)O)O
InChI: InChI=1S/C27H32O13/c1-11-20(31)22(33)24(35)26(36-11)40-25-23(34)21(32)18(10-28)39-27(25)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-8,11,16,18,20-29,31-35H,9-10H2,1H3/t11-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
SMILES: C[C@H](CCCC(C)(C)OC(=O)C)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3C2=CC=C4[C@@]3(C=C[C@@H](C4)O)C)OC(=O)C)C
InChI: InChI=1S/C31H46O5/c1-19(9-8-15-29(4,5)36-21(3)33)25-12-13-26-24-11-10-22-17-23(34)14-16-30(22,6)28(24)27(35-20(2)32)18-31(25,26)7/h10-11,14,16,19,23,25-28,34H,8-9,12-13,15,17-18H2,1-7H3/t19-,23+,25-,26+,27-,28-,30+,31-/m1/s1
SMILES: CC1=C(C=CC(=C1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)OCC5=CC=CC=C5)Cl
InChI: InChI=1S/C23H20ClNO4/c1-14-11-16(7-8-17(14)24)25-13-23-10-9-18(29-23)19(20(23)21(25)26)22(27)28-12-15-5-3-2-4-6-15/h2-11,18-20H,12-13H2,1H3/t18-,19+,20+,23-/m1/s1
SMILES: CCCC1=CC(=C(S1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C(=O)OC
InChI: InChI=1S/C17H23NO5S/c1-3-6-10-9-13(17(22)23-2)15(24-10)18-14(19)11-7-4-5-8-12(11)16(20)21/h9,11-12H,3-8H2,1-2H3,(H,18,19)(H,20,21)/t11-,12+/m1/s1
SMILES: C[C@@H]1CN(C[C@H]2[C@@H]1OC(O2)(C)C)C(=O)[C@@H]3CN(C[C@@H]([C@@H]3O)CO)C(=O)[C@@H]4CN(C[C@H]5[C@@H]4OC(OC5)(C)C)C(=O)[C@@H]6CN(C[C@H]7[C@@H]6OC(OC7)(C)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C41H66N4O13/c1-22-11-42(18-29-31(22)55-41(9,10)54-29)34(48)26-15-43(12-23(19-46)30(26)47)35(49)27-16-44(13-24-20-52-39(5,6)56-32(24)27)36(50)28-17-45(37(51)58-38(2,3)4)14-25-21-53-40(7,8)57-33(25)28/h22-33,46-47H,11-21H2,1-10H3/t22-,23-,24-,25-,26-,27-,28-,29+,30+,31-,32+,33+/m1/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C25H26N2O6/c1-14(2)19-10-4-15(3)12-22(19)33-25(30)16-5-11-20-21(13-16)24(29)26(23(20)28)17-6-8-18(9-7-17)27(31)32/h5-9,11,13-15,19,22H,4,10,12H2,1-3H3/t15-,19-,22+/m0/s1
SMILES: C[C@@]12CCC[C@]([C@@H]1C[C@@]3([C@@H]2CCC(=O)C3)C#N)(C)C(=O)OC
InChI: InChI=1S/C18H25NO3/c1-16-7-4-8-17(2,15(21)22-3)14(16)10-18(11-19)9-12(20)5-6-13(16)18/h13-14H,4-10H2,1-3H3/t13-,14-,16+,17+,18-/m1/s1
SMILES: C[C@]12C[C@@H]([C@@]34[C@H]([C@@H]1CC[C@]2(CCl)O)CCC5=CC(=O)CC[C@]53O4)C6=CC=C(C=C6)/C=N/O
InChI: InChI=1S/C26H30ClNO4/c1-23-13-22(17-4-2-16(3-5-17)14-28-31)26-21(20(23)9-10-24(23,30)15-27)7-6-18-12-19(29)8-11-25(18,26)32-26/h2-5,12,14,20-22,30-31H,6-11,13,15H2,1H3/b28-14+/t20-,21-,22+,23-,24+,25-,26-/m0/s1
SMILES: C[C@@H](C(=O)N[C@@H](C[C@H]1C[C@@H]1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C39H39N3O7/c1-25(40-38(45)48-23-27-14-6-3-7-15-27)36(43)41-35(37(44)47-22-26-12-4-2-5-13-26)21-28-20-34(28)42-39(46)49-24-33-31-18-10-8-16-29(31)30-17-9-11-19-32(30)33/h2-19,25,28,33-35H,20-24H2,1H3,(H,40,45)(H,41,43)(H,42,46)/t25-,28+,34-,35-/m0/s1
SMILES: CCOC(=O)CC(=O)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C21H28O9/c1-6-26-16(23)10-13(22)17-18(19-20(28-17)30-21(2,3)29-19)27-11-12-7-8-14(24-4)15(9-12)25-5/h7-9,17-20H,6,10-11H2,1-5H3/t17-,18+,19-,20-/m1/s1
SMILES: CC(C)C(=NNC(=O)[C@H]1C[C@H]1C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H22N2O/c1-14(2)19(16-11-7-4-8-12-16)21-22-20(23)18-13-17(18)15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3,(H,22,23)/t17-,18-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@H]2CC[C@]4([C@@H]3CC[C@H]4C(=O)O)C)C
InChI: InChI=1S/C22H34O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h14-19H,4-12H2,1-3H3,(H,24,25)/t14-,15-,16-,17+,18+,19-,21-,22-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@]2([C@H]3[C@@]2(C(=O)C4=CC=CC=C4C3=O)Br)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C23H14BrNO4/c24-23-20(19(26)17-8-4-5-9-18(17)21(23)27)22(23,14-6-2-1-3-7-14)15-10-12-16(13-11-15)25(28)29/h1-13,20H/t20-,22-,23-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@H]3CCCO3)C(=O)[C@]45CC[C@](C4(C)C)(C(=O)O5)C)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC(=CC=C7)C(F)(F)F)C
InChI: InChI=1S/C45H56F3NO7/c1-28-9-7-18-41(4)36(34-16-14-29(23-32(50)15-13-28)24-35(34)37(51)30-10-6-11-31(25-30)45(46,47)48)17-19-43(41,54)27-49(26-33-12-8-22-55-33)38(52)44-21-20-42(5,39(53)56-44)40(44,2)3/h6,9-11,14,16,24-25,32-33,36,50,54H,7-8,12-13,15,17-23,26-27H2,1-5H3/t32-,33+,36-,41-,42-,43+,44+/m0/s1
SMILES: CN1CC(OP1(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)/C=C/Br)O)CC4SCCCS4
InChI: InChI=1S/C19H27BrN3O7PS2/c1-22-10-13(7-17-32-5-2-6-33-17)30-31(22,27)28-11-15-14(24)8-16(29-15)23-9-12(3-4-20)18(25)21-19(23)26/h3-4,9,13-17,24H,2,5-8,10-11H2,1H3,(H,21,25,26)/b4-3+/t13?,14-,15+,16+,31?/m0/s1
SMILES: C[C@H]1[C@]2([C@@H](C[C@@H](O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O)O
InChI: InChI=1S/C16H16O7/c1-7-16(22)10(5-8(23-7)6-12(18)19)14(20)9-3-2-4-11(17)13(9)15(16)21/h2-4,7-8,10,17,22H,5-6H2,1H3,(H,18,19)/t7-,8+,10-,16+/m0/s1
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CCC=C(CC[C@@H](CC3=CC(=C2C=C3)C(=O)C4CCCCC4)O)C)C)O)S(=O)(=O)C5=CC=CS5
InChI: InChI=1S/C36H51NO5S2/c1-4-21-37(44(41,42)33-13-9-22-43-33)25-36(40)20-18-32-30-17-15-27(24-31(30)34(39)28-11-6-5-7-12-28)23-29(38)16-14-26(2)10-8-19-35(32,36)3/h9-10,13,15,17,22,24,28-29,32,38,40H,4-8,11-12,14,16,18-21,23,25H2,1-3H3/t29-,32-,35-,36+/m0/s1
SMILES: CCOP(=O)(/C(=C/C1=CC=C(C=C1)OC)/C(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)(C)C3=CC=CC=C3)C)OCC
InChI: InChI=1S/C30H41O6P/c1-7-34-37(32,35-8-2)28(21-23-15-17-25(33-6)18-16-23)29(31)36-27-20-22(3)14-19-26(27)30(4,5)24-12-10-9-11-13-24/h9-13,15-18,21-22,26-27H,7-8,14,19-20H2,1-6H3/b28-21+/t22-,26-,27-/m1/s1
SMILES: CN1[C@@H]([C@H]([C@@H](C2=CC=CC=C21)N(C)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C30H30N2/c1-31(25-18-10-5-11-19-25)30-26-20-12-13-21-27(26)32(2)28(22-23-14-6-3-7-15-23)29(30)24-16-8-4-9-17-24/h3-21,28-30H,22H2,1-2H3/t28-,29-,30-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN6CC7=CC=CC=C7C6)O)C(=C5)C(=O)CC8=C(C=CC=C8Cl)F)O)C
InChI: InChI=1S/C38H43ClFNO3/c1-34-13-10-26(42)19-36(34)16-17-38(28(20-36)31(43)18-27-29(39)8-5-9-30(27)40)32(34)11-14-35(2)33(38)12-15-37(35,44)23-41-21-24-6-3-4-7-25(24)22-41/h3-9,16-17,20,26,32-33,42,44H,10-15,18-19,21-23H2,1-2H3/t26?,32-,33-,34-,35+,36+,37-,38-/m1/s1
SMILES: C(CCC(CO)O)CC(CC(CCC[C@H]([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O)O)O
InChI: InChI=1S/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2/t11?,12?,13?,14-,15-,16-,17-,18-/m1/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=CC=C(C=C5)F
InChI: InChI=1S/C24H19FN2O3/c25-18-13-11-17(12-14-18)21-20-22(30-27(21)19-9-5-2-6-10-19)24(29)26(23(20)28)15-16-7-3-1-4-8-16/h1-14,20-22H,15H2/t20-,21-,22-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)/C=C/C2=CC=CC=C2OC
InChI: InChI=1S/C19H27N3O2S/c1-13-7-6-9-16(14(13)2)20-19(25)22-21-18(23)12-11-15-8-4-5-10-17(15)24-3/h4-5,8,10-14,16H,6-7,9H2,1-3H3,(H,21,23)(H2,20,22,25)/b12-11+/t13-,14+,16-/m0/s1
SMILES: C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
InChI: InChI=1S/C21H20O14/c22-9-1-7(2-10(23)15(9)27)19(30)35-17-11(24)3-8(4-12(17)25)18(29)34-14-6-21(33,20(31)32)5-13(26)16(14)28/h1-4,13-14,16,22-28,33H,5-6H2,(H,31,32)/t13-,14-,16-,21+/m1/s1
SMILES: CC1(CC(=O)[C@@H]2[C@@H](CC(=O)NC2=C1)C(=O)NC3=CC(=CC(=C3)OC)OC)C
InChI: InChI=1S/C20H24N2O5/c1-20(2)9-15-18(16(23)10-20)14(8-17(24)22-15)19(25)21-11-5-12(26-3)7-13(6-11)27-4/h5-7,9,14,18H,8,10H2,1-4H3,(H,21,25)(H,22,24)/t14-,18-/m1/s1
SMILES: C[C@H]1C=CC2=C[C@@H](C=C([C@@H]2[C@H]1CC[C@@H]3C[C@H](C=C(O3)O[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C)C
InChI: InChI=1S/C31H56O4Si3/c1-22-18-24-15-14-23(2)27(30(24)28(19-22)34-36(6,7)8)17-16-25-20-26(33-38(12,13)31(3,4)5)21-29(32-25)35-37(9,10)11/h14-15,18-19,21-23,25-27,30H,16-17,20H2,1-13H3/t22-,23-,25+,26+,27-,30-/m0/s1
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC=C(C=C1)C#N)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H21N3O5/c1-12(24-19(26)16-5-3-4-6-17(16)20(24)27)21(28)29-13(2)18(25)23-15-9-7-14(11-22)8-10-15/h3-4,7-10,12-13,16-17H,5-6H2,1-2H3,(H,23,25)/t12-,13+,16-,17+/m0/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3=CC=CC=C3)C(=O)C4CC4)C(=O)NCCO
InChI: InChI=1S/C28H33IN2O7/c1-37-24-12-18(16-33)11-21(29)26(24)38-23-14-20(27(35)30-9-10-32)13-22(25(23)34)31(28(36)19-7-8-19)15-17-5-3-2-4-6-17/h2-6,11-12,14,19,22-23,25,32-34H,7-10,13,15-16H2,1H3,(H,30,35)/t22-,23+,25+/m1/s1
SMILES: CN1C(=O)C2=C3C4=C(NC3=C5C(=C2C1=O)C6=CC=CC=C6N5[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)N=CC=C4
InChI: InChI=1S/C26H22N4O7/c1-29-24(35)16-14-11-6-4-8-27-23(11)28-18(14)19-15(17(16)25(29)36)10-5-2-3-7-12(10)30(19)26-22(34)21(33)20(32)13(9-31)37-26/h2-8,13,20-22,26,31-34H,9H2,1H3,(H,27,28)/t13-,20-,21+,22-,26-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=NC(=C2)Cl)Cl
InChI: InChI=1S/C16H20Cl2N2O3/c1-9-4-3-5-12(10(9)2)19-15(21)8-23-16(22)11-6-13(17)20-14(18)7-11/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,19,21)/t9-,10-,12-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2CC(=O)[C@H]3[C@@H](N4C(=NC(=N4)C)NC3=C2)C5=CC(=CC(=C5)F)F
InChI: InChI=1S/C23H20F2N4O/c1-12-3-5-14(6-4-12)15-9-19-21(20(30)10-15)22(16-7-17(24)11-18(25)8-16)29-23(27-19)26-13(2)28-29/h3-9,11,15,21-22H,10H2,1-2H3,(H,26,27,28)/t15-,21+,22+/m1/s1
SMILES: CC1(OCC(O1)[C@H]2[C@H](C(=O)N2C3=CC=C(C=C3)OC)OC4=CC=CC=C4)C
InChI: InChI=1S/C21H23NO5/c1-21(2)25-13-17(27-21)18-19(26-16-7-5-4-6-8-16)20(23)22(18)14-9-11-15(24-3)12-10-14/h4-12,17-19H,13H2,1-3H3/t17?,18-,19+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H](CC5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C40H46O13/c1-21-27(51-36(47)26(43)17-24-13-9-7-10-14-24)19-40(48)34(52-35(46)25-15-11-8-12-16-25)32-38(6,28(44)18-29-39(32,20-49-29)53-23(3)42)33(45)31(50-22(2)41)30(21)37(40,4)5/h7-16,26-29,31-32,34,43-44,48H,17-20H2,1-6H3/t26-,27-,28-,29+,31+,32-,34-,38+,39-,40+/m0/s1