EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1(O[C@@H]([C@H](O1)[C@H](CC2=CC=CC=C2)N)[C@@H](CC3=CC=CC=C3)N)C
InChI: InChI=1S/C21H28N2O2/c1-21(2)24-19(17(22)13-15-9-5-3-6-10-15)20(25-21)18(23)14-16-11-7-4-8-12-16/h3-12,17-20H,13-14,22-23H2,1-2H3/t17-,18+,19-,20-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H](C2=CC=CC=C2C3=C1C=CC4=CC=CC=C43)Br
InChI: InChI=1S/C20H15BrO2/c1-12(22)23-20-17-11-10-13-6-2-3-7-14(13)18(17)15-8-4-5-9-16(15)19(20)21/h2-11,19-20H,1H3/t19-,20-/m1/s1
SMILES: C1[C@H]2C[C@H]([C@@H]1[C@H](C2)Br)[Si](C3=CC=CC=C3)(Cl)Cl
InChI: InChI=1S/C13H15BrCl2Si/c14-12-7-9-6-11(12)13(8-9)17(15,16)10-4-2-1-3-5-10/h1-5,9,11-13H,6-8H2/t9-,11+,12+,13-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@@H]6[C@H]([C@H]5C7=C(C=C(C=C7)OCC8=CC=CC=C8)O)C(=O)N(C6=O)C9=CC=C(C=C9)N=NC1=CC=C(C=C1)N(C)C
InChI: InChI=1S/C55H50N8O6/c1-60(2)38-18-10-34(11-19-38)56-58-36-14-22-40(23-15-36)62-52(65)45-29-28-43-46(50(45)54(62)67)31-47-51(49(43)44-27-26-42(30-48(44)64)69-32-33-8-6-5-7-9-33)55(68)63(53(47)66)41-24-16-37(17-25-41)59-57-35-12-20-39(21-13-35)61(3)4/h5-28,30,45-47,49-51,64H,29,31-32H2,1-4H3/t45-,46+,47+,49+,50-,51+/m0/s1
SMILES: CC(C)O[C@@H]1C2=CC=CC=C2N3[C@@]14[C@](N(C3=O)C5=CC=CC=C5)(OC(=O)N4)C
InChI: InChI=1S/C21H21N3O4/c1-13(2)27-17-15-11-7-8-12-16(15)24-19(26)23(14-9-5-4-6-10-14)20(3)21(17,24)22-18(25)28-20/h4-13,17H,1-3H3,(H,22,25)/t17-,20-,21-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@@]3([C@H]([C@@](O2)(OC1=O)C)OC(O3)(C)C)C
InChI: InChI=1S/C12H18O5/c1-6-7-11(4)9(16-10(2,3)17-11)12(5,14-7)15-8(6)13/h6-7,9H,1-5H3/t6-,7-,9-,11-,12+/m1/s1
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H22N4O4/c1-13-18(21(29)25(23(13)2)14-8-4-3-5-9-14)22-17(26)12-24-19(27)15-10-6-7-11-16(15)20(24)28/h3-9,15-16H,10-12H2,1-2H3,(H,22,26)/t15-,16-/m0/s1
SMILES: C[C@@H]1CC(=C[C@@H]([C@@H]1C[NH+]2CC[NH+](C2C(C)C)C[C@@H]3[C@H](CC(=C[C@H]3C)C)C)C)C
InChI: InChI=1S/C26H46N2/c1-17(2)26-27(15-24-20(5)11-18(3)12-21(24)6)9-10-28(26)16-25-22(7)13-19(4)14-23(25)8/h11,13,17,20-26H,9-10,12,14-16H2,1-8H3/p+2/t20-,21+,22+,23-,24-,25-,26?/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=CC(=C6)Cl)O)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F
InChI: InChI=1S/C40H32Cl2FN3O5/c1-2-21-3-14-27(15-4-21)45-36(48)29-17-16-28-30(34(29)38(45)50)20-32-37(49)46(44-26-12-10-25(43)11-13-26)39(51)40(32,22-5-7-23(41)8-6-22)35(28)31-19-24(42)9-18-33(31)47/h3-16,18-19,29-30,32,34-35,44,47H,2,17,20H2,1H3/t29-,30+,32-,34-,35+,40+/m0/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CC(=O)NC4=CC=CC(=C4)C(=O)C)CSC5=NN=NN5C6=CC=C(C=C6)O
InChI: InChI=1S/C36H35N5O6S/c1-22-32(21-48-36-38-39-40-41(36)30-14-16-31(44)17-15-30)46-35(47-34(22)26-10-8-25(20-42)9-11-26)27-12-6-24(7-13-27)18-33(45)37-29-5-3-4-28(19-29)23(2)43/h3-17,19,22,32,34-35,42,44H,18,20-21H2,1-2H3,(H,37,45)/t22-,32+,34+,35?/m0/s1
SMILES: CC1([C@@H]([C@@H](C2=C(O1)C=CC3=C2OC(=S)C=C3C4=CC=CC=C4)OC(=O)C56CCC(C5(C)C)(C(=O)O6)C)OC(=O)C78CCC(C7(C)C)(C(=O)O8)C)C
InChI: InChI=1S/C40H42O10S/c1-34(2)29(47-33(44)40-19-17-38(8,31(42)50-40)36(40,5)6)28(46-32(43)39-18-16-37(7,30(41)49-39)35(39,3)4)26-24(48-34)15-14-22-23(20-25(51)45-27(22)26)21-12-10-9-11-13-21/h9-15,20,28-29H,16-19H2,1-8H3/t28-,29-,37?,38?,39?,40?/m1/s1
SMILES: COC1=C2C(=C(C=C1)Cl)[C@@H]3C=CC[C@@H]3[C@@H](N2)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C21H20ClNO3/c1-25-17-11-10-16(22)18-14-4-3-5-15(14)19(23-20(17)18)12-6-8-13(9-7-12)21(24)26-2/h3-4,6-11,14-15,19,23H,5H2,1-2H3/t14-,15+,19+/m1/s1
SMILES: C/C=C/C1C[C@@]2([C@@H](N1CC=C)C#C[Si](C(C)C)(C(C)C)C(C)C)C3=CC=CC=C3NC2=O
InChI: InChI=1S/C28H40N2OSi/c1-9-13-23-19-28(24-14-11-12-15-25(24)29-27(28)31)26(30(23)17-10-2)16-18-32(20(3)4,21(5)6)22(7)8/h9-15,20-23,26H,2,17,19H2,1,3-8H3,(H,29,31)/b13-9+/t23?,26-,28-/m0/s1
SMILES: CC1([C@H]2CC[C@H]([C@@H]1C2)CN([C@@H]3CC(=C[C@@H]([C@H]3O)OC4=C(C=C(C=C4I)CO)OC)C(=O)NCCO)C(=O)CCCCC=C)C
InChI: InChI=1S/C34H49IN2O7/c1-5-6-7-8-9-30(40)37(19-22-10-11-24-18-25(22)34(24,2)3)27-16-23(33(42)36-12-13-38)17-28(31(27)41)44-32-26(35)14-21(20-39)15-29(32)43-4/h5,14-15,17,22,24-25,27-28,31,38-39,41H,1,6-13,16,18-20H2,2-4H3,(H,36,42)/t22-,24-,25-,27+,28-,31-/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[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)C(=O)N
InChI: InChI=1S/C37H34ClN5O7S/c1-5-50-25-8-6-7-20(30(25)44)29-18-10-11-19-28(34(47)43(32(19)45)36(39)49)22(18)14-23-33(46)42(35(48)37(23,29)3)27-15-24(40-41(27)4)31-16(2)21-13-17(38)9-12-26(21)51-31/h6-10,12-13,15,19,22-23,28-29,44H,5,11,14H2,1-4H3,(H2,39,49)/t19-,22+,23-,28-,29+,37+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@]3(CCCO)C(=O)C)[C@H]4C2=C5CCC(=O)C=C5CC4)C
InChI: InChI=1S/C31H38O4/c1-19(33)21-5-7-22(8-6-21)27-18-30(3)28(13-15-31(30,20(2)34)14-4-16-32)26-11-9-23-17-24(35)10-12-25(23)29(26)27/h5-8,17,26-28,32H,4,9-16,18H2,1-3H3/t26-,27+,28-,30-,31+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34O
InChI: InChI=1S/C18H22O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-15,21H,2-5,7-8H2,1H3/t13-,14+,15+,17+,18-/m1/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@H]3C[C@H](O[C@H](O3)C4=CC=C(C=C4)C5=CC=CC=C5CNC(=O)C6=NC7=CC=CC=C7N=C6)C8=CC=C(C=C8)CO
InChI: InChI=1S/C48H55N5O5/c1-48(2,3)52-46(56)43-25-24-33-10-5-9-15-42(33)53(43)29-37-26-44(34-18-16-31(30-54)17-19-34)58-47(57-37)35-22-20-32(21-23-35)38-12-6-4-11-36(38)27-50-45(55)41-28-49-39-13-7-8-14-40(39)51-41/h4,6-8,11-14,16-23,28,33,37,42-44,47,54H,5,9-10,15,24-27,29-30H2,1-3H3,(H,50,55)(H,52,56)/t33-,37-,42-,43-,44+,47+/m1/s1
SMILES: C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C#N
InChI: InChI=1S/C18H17N5O4S/c19-5-10-1-3-11(4-2-10)7-28-17-13-16(20-8-21-17)23(9-22-13)18-15(26)14(25)12(6-24)27-18/h1-4,8-9,12,14-15,18,24-26H,6-7H2/t12-,14-,15-,18-/m1/s1
SMILES: CCCC(=O)O[C@@]1(CC[C@@H]([C@](C[C@H]2[C@@H]3[C@H]([C@@H]1O2)[C@H](CCC3=C)C(C)C)(C)O)O)C
InChI: InChI=1S/C24H40O5/c1-7-8-19(26)29-24(6)12-11-18(25)23(5,27)13-17-20-15(4)9-10-16(14(2)3)21(20)22(24)28-17/h14,16-18,20-22,25,27H,4,7-13H2,1-3,5-6H3/t16-,17+,18+,20-,21-,22+,23-,24-/m1/s1
SMILES: CC(=C)/C=C/C[C@]1([C@H](O[C@H]2[C@@H]1OC(O2)(C)C)/C=C/C=C)OCC3=CC=CC=C3
InChI: InChI=1S/C24H30O4/c1-6-7-15-20-24(16-11-12-18(2)3,25-17-19-13-9-8-10-14-19)21-22(26-20)28-23(4,5)27-21/h6-15,20-22H,1-2,16-17H2,3-5H3/b12-11+,15-7+/t20-,21+,22-,24-/m1/s1
SMILES: CC1=C(C=C(C=C1)Cl)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)C4=C(C)C
InChI: InChI=1S/C19H18ClNO2/c1-9(2)15-12-6-7-13(15)17-16(12)18(22)21(19(17)23)14-8-11(20)5-4-10(14)3/h4-8,12-13,16-17H,1-3H3/t12-,13+,16-,17+
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC(=C2I)C(=O)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H40IN3O4Si2/c1-20(2,3)30(7,8)27-12-15-14(29-31(9,10)21(4,5)6)11-16(28-15)25-13-24-17(18(25)22)19(23)26/h13-16H,11-12H2,1-10H3,(H2,23,26)/t14-,15+,16+/m0/s1
SMILES: CCC1(CCC2=C(C1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O[C@H]5CC[C@@H]([C@@H](O5)C)O)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O
InChI: InChI=1S/C40H53NO15/c1-7-40(50)13-12-19-28(34(47)32-31(33(19)46)35(48)29-22(43)8-9-23(44)30(29)36(32)49)39(40)56-26-14-20(41(5)6)37(17(3)52-26)55-27-15-24(45)38(18(4)53-27)54-25-11-10-21(42)16(2)51-25/h8-9,16-18,20-21,24-27,37-39,42-47,50H,7,10-15H2,1-6H3/t16-,17-,18-,20-,21-,24-,25-,26-,27-,37+,38+,39?,40?/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@]3(C(=O)N2C4=CC=CC=C4)C(=O)O[C@H](O3)C5=CC=CC=C5
InChI: InChI=1S/C23H17NO4/c25-21-23(22(26)27-20(28-23)17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)24(21)18-14-8-3-9-15-18/h1-15,19-20H/t19-,20+,23-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CSC5=NC(=C(O5)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C45H43N3O7S/c1-29-38(28-56-45-48-39(32-15-8-4-9-16-32)41(55-45)33-17-10-5-11-18-33)53-43(54-40(29)34-23-21-31(27-49)22-24-34)35-19-12-20-36(26-35)46-44(51)47-37(42(50)52-2)25-30-13-6-3-7-14-30/h3-24,26,29,37-38,40,43,49H,25,27-28H2,1-2H3,(H2,46,47,51)/t29-,37+,38+,40+,43+/m1/s1
SMILES: CCCCCCCCOC1=C(C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC)N(C1=O)C)OC(=O)[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O)O)O)O
InChI: InChI=1S/C35H44N2O13/c1-5-6-7-8-9-10-15-48-32-30(49-35(45)31-28(41)27(40)29(42)34(44)50-31)21-13-12-20(18-22(21)37(2)33(32)43)36-25(38)14-11-19-16-23(46-3)26(39)24(17-19)47-4/h11-14,16-18,27-29,31,34,39-42,44H,5-10,15H2,1-4H3,(H,36,38)/b14-11+/t27-,28-,29+,31-,34-/m0/s1
SMILES: [2H][C@]1([C@H](C(C1(C#N)C#N)(C(=O)OC)C(=O)OC)[Si](C)(C)C)[Se]C2=CC=CC=C2
InChI: InChI=1S/C19H22N2O4SeSi/c1-24-16(22)19(17(23)25-2)15(27(3,4)5)14(18(19,11-20)12-21)26-13-9-7-6-8-10-13/h6-10,14-15H,1-5H3/t14-,15-/m1/s1/i14D
SMILES: C1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]2S(=O)(=O)C4=CC=CC=C4)[C@@H]5[C@H]3O5
InChI: InChI=1S/C20H18O5S2/c21-26(22,13-7-3-1-4-8-13)19-15-11-12-16(18-17(15)25-18)20(19)27(23,24)14-9-5-2-6-10-14/h1-12,15-20H/t15-,16+,17+,18-,19-,20+
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NC3=CC=CC=C3N=C2C
InChI: InChI=1S/C19H25N3OS/c1-12-7-6-10-15(13(12)2)21-18(23)11-24-19-14(3)20-16-8-4-5-9-17(16)22-19/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3,(H,21,23)/t12-,13-,15-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](C[C@@]1(C[C@@H]2[C@H](O1)[C@@H]([C@@H](CO2)OCC3=CC=CC=C3)N(C)C(=O)OC(C)(C)C)C(=O)OC)C(=O)OC
InChI: InChI=1S/C31H46N2O11/c1-29(2,3)43-27(36)32-20(25(34)38-8)15-31(26(35)39-9)16-21-24(42-31)23(33(7)28(37)44-30(4,5)6)22(18-41-21)40-17-19-13-11-10-12-14-19/h10-14,20-24H,15-18H2,1-9H3,(H,32,36)/t20-,21+,22+,23+,24-,31+/m0/s1
SMILES: CN([C@@H]1CCC[C@H]1N2CCCC2)C(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl.Cl
InChI: InChI=1S/C19H24Cl2N2O.ClH/c1-22(17-5-4-6-18(17)23-11-2-3-12-23)19(24)10-8-14-7-9-15(20)16(21)13-14;/h7-10,13,17-18H,2-6,11-12H2,1H3;1H/b10-8+;/t17-,18-;/m1./s1
SMILES: COC[C@]12[C@@H]3C[C@H]([C@]1([C@H]4[C@@H]2[C@H]5C[C@@H]4C6=C(C7=CC8=CC=CC=C8C=C7C(=C56)OC)OC)COC)[C@@H]9[C@H]3[C@@]1([C@]9([C@H]2C[C@@H]1C=C2)C(=O)OC)C(=O)OC
InChI: InChI=1S/C43H46O8/c1-46-18-40-28-17-29(35-34(28)42(38(44)50-5)22-11-12-23(15-22)43(35,42)39(45)51-6)41(40,19-47-2)33-27-16-26(32(33)40)30-31(27)37(49-4)25-14-21-10-8-7-9-20(21)13-24(25)36(30)48-3/h7-14,22-23,26-29,32-35H,15-19H2,1-6H3/t22-,23+,26-,27+,28+,29-,32-,33+,34-,35+,40+,41-,42+,43-
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3
InChI: InChI=1S/C20H28N2O4S/c1-14-5-2-3-6-16(14)21-18(23)13-26-20(25)15-8-10-22(11-9-15)19(24)17-7-4-12-27-17/h4,7,12,14-16H,2-3,5-6,8-11,13H2,1H3,(H,21,23)/t14-,16+/m1/s1
SMILES: C[C@@H]1[C@H](OC(O1)(C)C)[C@](C)(CCO)N(CC2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C26H35NO6/c1-19-23(33-25(2,3)32-19)26(4,15-16-28)27(17-20-11-13-22(30-5)14-12-20)24(29)31-18-21-9-7-6-8-10-21/h6-14,19,23,28H,15-18H2,1-5H3/t19-,23+,26+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCCO)[C@@]4(C2=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC[C@@H](C9=CC=CC=C9)O
InChI: InChI=1S/C56H52N4O9/c1-36(38-18-6-2-7-19-38)58-55(67)59-45-29-28-37(17-14-15-30-61)33-44(45)56(54(59)66)47(52(64)57-35-46(63)39-20-8-3-9-21-39)49-53(65)69-50(41-24-12-5-13-25-41)48(40-22-10-4-11-23-40)60(49)51(56)42-26-16-27-43(34-42)68-32-31-62/h2-13,16,18-29,33-34,36,46-51,61-63H,15,30-32,35H2,1H3,(H,57,64)(H,58,67)/t36-,46+,47-,48-,49-,50+,51+,56-/m1/s1
SMILES: CC(=O)C1=CC(=C(C=C1)OC)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C45CC5
InChI: InChI=1S/C20H19NO4/c1-10(22)11-3-6-15(25-2)14(9-11)21-18(23)16-12-4-5-13(17(16)19(21)24)20(12)7-8-20/h3-6,9,12-13,16-17H,7-8H2,1-2H3/t12-,13+,16-,17+
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC(=CC=C3)I)C(=O)N[C@H]([C@H](C)O)C(=O)NCCO)CCCCC
InChI: InChI=1S/C31H45IN2O8/c1-4-6-8-13-31(14-9-7-5-2)41-25-19-22(28(37)34-26(20(3)36)29(38)33-15-16-35)18-24(27(25)42-31)40-30(39)21-11-10-12-23(32)17-21/h10-12,17,19-20,24-27,35-36H,4-9,13-16,18H2,1-3H3,(H,33,38)(H,34,37)/t20-,24+,25+,26+,27-/m0/s1
SMILES: CCN(CC(=C)C)C(=O)CN1C(=O)[C@@]2(CCCC[C@@H]2C)NC1=O
InChI: InChI=1S/C17H27N3O3/c1-5-19(10-12(2)3)14(21)11-20-15(22)17(18-16(20)23)9-7-6-8-13(17)4/h13H,2,5-11H2,1,3-4H3,(H,18,23)/t13-,17-/m0/s1
SMILES: CCN1C2=C(C=C(C=C2)C3(SCCCS3)[C@H]4COC(=O)[C@@H]4C(C5=CC(=C(C(=C5)OC)OC)OC)O)C6=CC=CC=C61
InChI: InChI=1S/C32H35NO6S2/c1-5-33-24-10-7-6-9-21(24)22-17-20(11-12-25(22)33)32(40-13-8-14-41-32)23-18-39-31(35)28(23)29(34)19-15-26(36-2)30(38-4)27(16-19)37-3/h6-7,9-12,15-17,23,28-29,34H,5,8,13-14,18H2,1-4H3/t23-,28-,29?/m0/s1
SMILES: CCC[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1OC(=O)[C@@](C3=CC=CC=C3)(C(F)(F)F)OC
InChI: InChI=1S/C22H29F3O3/c1-5-9-16-17-12-15(20(17,2)3)13-18(16)28-19(26)21(27-4,22(23,24)25)14-10-7-6-8-11-14/h6-8,10-11,15-18H,5,9,12-13H2,1-4H3/t15-,16+,17+,18+,21-/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4CCCN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C23H21FN2O4/c1-30-16-10-8-15(9-11-16)26-22(28)18-17-3-2-12-25(17)20(19(18)23(26)29)21(27)13-4-6-14(24)7-5-13/h4-11,17-20H,2-3,12H2,1H3/t17-,18-,19+,20-/m0/s1
SMILES: CN(C)CCCOC1=CC=CC=C1CC(=O)N2C[C@@H]3[C@H](C2)OCCC3(SC4=CC=CC=C4)SC5=CC=CC=C5
InChI: InChI=1S/C32H38N2O3S2/c1-33(2)19-11-20-36-29-17-10-9-12-25(29)22-31(35)34-23-28-30(24-34)37-21-18-32(28,38-26-13-5-3-6-14-26)39-27-15-7-4-8-16-27/h3-10,12-17,28,30H,11,18-24H2,1-2H3/t28-,30+/m1/s1
SMILES: CCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OCCCCCCCCCC
InChI: InChI=1S/C35H65N5O11P2S/c1-4-6-8-10-12-14-15-17-19-21-23-54-28-30(47-22-20-18-16-13-11-9-7-5-2)26-48-52(43,44)51-53(45,46)49-27-32-31(38-39-36)24-33(50-32)40-25-29(3)34(41)37-35(40)42/h25,30-33H,4-24,26-28H2,1-3H3,(H,43,44)(H,45,46)(H,37,41,42)/t30?,31-,32+,33+/m0/s1
SMILES: CCNC(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
InChI: InChI=1S/C41H54N2O13/c1-11-42-29(45)18-53-28-17-26-36(49)31-30(28)32-38(24(7)35(31)48)56-41(9,39(32)50)54-16-15-27(52-10)21(4)37(55-25(8)44)23(6)34(47)22(5)33(46)19(2)13-12-14-20(3)40(51)43-26/h12-17,19,21-23,27,33-34,37,46-49H,11,18H2,1-10H3,(H,42,45)(H,43,51)/b13-12+,16-15+,20-14-/t19-,21+,22+,23+,27-,33-,34+,37+,41-/m0/s1
SMILES: CC1=C(SC=C1)[C@H]2[C@@H]3C(=O)CCC=C3NC4=C2C5=CC=CC=C5C=C4
InChI: InChI=1S/C22H19NOS/c1-13-11-12-25-22(13)21-19-15-6-3-2-5-14(15)9-10-17(19)23-16-7-4-8-18(24)20(16)21/h2-3,5-7,9-12,20-21,23H,4,8H2,1H3/t20-,21+/m0/s1
SMILES: CC(=O)OC1=C2C=CC(=CC2=C(C=C1)OC(=O)C)CC[C@H]3[C@@H](CC[C@@H]4[C@@]3(CCC[C@]4(C)C(=O)OC)C)C(=O)O
InChI: InChI=1S/C31H38O8/c1-18(32)38-25-12-13-26(39-19(2)33)23-17-20(7-9-21(23)25)8-11-24-22(28(34)35)10-14-27-30(24,3)15-6-16-31(27,4)29(36)37-5/h7,9,12-13,17,22,24,27H,6,8,10-11,14-16H2,1-5H3,(H,34,35)/t22-,24+,27-,30-,31+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@@H]3[C@H](O[C@@H]2[C@H](C)C4SCCCS4)OC(O3)(C)C
InChI: InChI=1S/C20H28O6S3/c1-12-6-8-14(9-7-12)29(21,22)26-16-15(13(2)19-27-10-5-11-28-19)23-18-17(16)24-20(3,4)25-18/h6-9,13,15-19H,5,10-11H2,1-4H3/t13-,15+,16-,17+,18+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC2=C3C(=CSC3=NC(=N2)CN4CCOCC4)C5=CC=CC=C5
InChI: InChI=1S/C24H30N4OS/c1-17-7-5-6-10-20(17)25-23-22-19(18-8-3-2-4-9-18)16-30-24(22)27-21(26-23)15-28-11-13-29-14-12-28/h2-4,8-9,16-17,20H,5-7,10-15H2,1H3,(H,25,26,27)/t17-,20+/m1/s1
SMILES: C[C@H]1CC(=CCN1)C2=CSC(=N2)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O)C(=O)O
InChI: InChI=1S/C19H23N3O4S2/c1-8-6-11(4-5-20-8)12-7-27-19(21-12)28-16-9(2)14-13(10(3)23)17(24)22(14)15(16)18(25)26/h4,7-10,13-14,20,23H,5-6H2,1-3H3,(H,25,26)/t8-,9+,10+,13+,14+/m0/s1
SMILES: CC(=CCC/C(=C/[C@@H](CC1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O[Si](C)(C)C(C)(C)C)O)/C)C
InChI: InChI=1S/C26H44O4Si/c1-18(2)10-9-11-19(3)14-22(28)15-21-17-29-25(30-31(7,8)26(4,5)6)24-20(16-27)12-13-23(21)24/h10,12,14,17,22-25,27-28H,9,11,13,15-16H2,1-8H3/b19-14+/t22-,23+,24+,25-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H]2C=C[C@@H](O2)C3=C1[C@H](CC3)O
InChI: InChI=1S/C16H26O3Si/c1-4-20(5-2,6-3)19-16-14-10-9-13(18-14)11-7-8-12(17)15(11)16/h9-10,12-14,16-17H,4-8H2,1-3H3/t12-,13+,14-,16+/m0/s1
SMILES: CCCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI: InChI=1S/C12H18N2O5.C10H14N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10;1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18);3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t8-,9+,10+;6-,7+,8+/m00/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NCC3=CC=C(C=C3)F
InChI: InChI=1S/C18H22FN3O3/c1-12-4-2-3-9-18(12)16(24)22(17(25)21-18)11-15(23)20-10-13-5-7-14(19)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,20,23)(H,21,25)/t12-,18-/m0/s1
SMILES: CC1=CN=C(S1)C2=CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C23H31NOS/c1-14-13-24-21(26-14)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,7,13,16-19,25H,5-6,8-12H2,1-3H3/t16-,17-,18-,19-,22-,23-/m0/s1
SMILES: COC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)OC3=CC=CC(=C3)N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O
InChI: InChI=1S/C26H24N2O6/c1-33-19-8-4-6-17(13-19)27-15-16(12-23(27)29)26(32)34-20-9-5-7-18(14-20)28-24(30)21-10-2-3-11-22(21)25(28)31/h2-9,13-14,16,21-22H,10-12,15H2,1H3/t16-,21-,22+/m0/s1
SMILES: CS(=O)C1=NC=C2C=CC(=O)N(C2=N1)[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C15H17N3O2S/c1-21(20)15-16-8-11-4-5-13(19)18(14(11)17-15)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7H2,1H3/t9-,10+,12-,21?/m0/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@H]3[C@@H]([C@@H]4N2C(=O)CN4)OC(O3)(C)C)C
InChI: InChI=1S/C14H22N2O5/c1-13(2)18-6-7-9(19-13)10-11(21-14(3,4)20-10)12-15-5-8(17)16(7)12/h7,9-12,15H,5-6H2,1-4H3/t7-,9-,10+,11+,12+/m1/s1
SMILES: CC1([C@@H]2CC[C@]3(C2)[C@@H](C1=C)CC[C@@H]3C(=O)O)C
InChI: InChI=1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12-,15+/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=CC4=CC=CC(=C4)CN5[C@H]6C(=O)O[C@@H]7C[C@]6([C@H](O5)[C@@H]8[C@H]7OCO8)C(=O)NCC9=CC(=CC=C9)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCC1O2
InChI: InChI=1S/C49H63N3O11/c1-46(2,3)62-38(54)16-14-33(26-53)51-43(55)32-12-8-10-29(21-32)24-50-45(57)49-23-36-39-40(59-27-58-39)42(49)63-52(41(49)44(56)60-36)25-30-11-7-9-28(19-30)20-31-13-15-37-48(6,61-37)18-17-35-34(31)22-47(35,4)5/h7-12,19-21,33-37,39-42,53H,13-18,22-27H2,1-6H3,(H,50,57)(H,51,55)/t33-,34+,35+,36+,37?,39-,40-,41-,42+,48+,49-/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3[C@@H]([C@@]2(C[C@@H]1OC(=O)C)C(C)(C)O)OC(=O)C)O)OC(=O)C)C)OC(=O)C4=CC=CC=C4)O
InChI: InChI=1S/C33H42O11/c1-16-22(37)14-24(42-19(4)35)32(8)26(16)28(43-20(5)36)33(31(6,7)40)15-23(41-18(3)34)17(2)25(33)27(38)29(32)44-30(39)21-12-10-9-11-13-21/h9-13,22-24,26-29,37-38,40H,1,14-15H2,2-8H3/t22-,23-,24-,26-,27+,28-,29-,32+,33-/m0/s1
SMILES: CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O)O
InChI: InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+/t16-,17-,18+,19-,21+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@]([C@H](C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C)OC)OC)O)(C)O)O
InChI: InChI=1S/C27H28O9/c1-11-8-15-19(17(9-11)33-4)14-10-18(34-5)21-16(28)7-6-13(20(21)22(14)36-26(15)31)23-25(30)27(3,32)24(29)12(2)35-23/h6-10,12,23-25,28-30,32H,1-5H3/t12-,23?,24+,25+,27-/m1/s1
SMILES: C1CC(=O)N([C@H]2[C@@H]1NC2=O)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4
InChI: InChI=1S/C18H17N2O5P/c21-16-12-11-15-17(18(22)19-15)20(16)26(23,24-13-7-3-1-4-8-13)25-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,19,22)/t15-,17+/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H22O7/c1-24-21-18(27-19(23)13-8-4-2-5-9-13)16(22)17-15(26-21)12-25-20(28-17)14-10-6-3-7-11-14/h2-11,15-18,20-22H,12H2,1H3/t15-,16+,17-,18+,20?,21+/m1/s1
SMILES: COC(=O)C(=O)[C@H]1[C@H]2C[C@@H]([C@H]1C(=C=O)C3=CC=CC=C3)C=C2
InChI: InChI=1S/C18H16O4/c1-22-18(21)17(20)16-13-8-7-12(9-13)15(16)14(10-19)11-5-3-2-4-6-11/h2-8,12-13,15-16H,9H2,1H3/t12-,13+,15-,16-/m0/s1
SMILES: CCOC(=O)CNC(=O)NC1=CC=CC(=C1)[C@@H]2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CN(C)CCC4=CC=CC=N4
InChI: InChI=1S/C32H40N4O6/c1-4-40-29(38)19-34-32(39)35-27-10-7-8-25(18-27)31-41-28(20-36(3)17-15-26-9-5-6-16-33-26)22(2)30(42-31)24-13-11-23(21-37)12-14-24/h5-14,16,18,22,28,30-31,37H,4,15,17,19-21H2,1-3H3,(H2,34,35,39)/t22-,28+,30+,31+/m0/s1
SMILES: C[C@@H]1[C@H](CC(C12CCCC2)(C(=O)OC)C(=O)OC)C[Si](C)(C)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C30H40O4Si/c1-22-25(20-30(27(31)33-2,28(32)34-3)29(22)18-12-13-19-29)21-35(4,5)26(23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-11,14-17,22,25-26H,12-13,18-21H2,1-5H3/t22-,25-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@]2([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC)OCC6=CC=CC=C6)O
InChI: InChI=1S/C43H50O12/c1-31(45)49-28-36-38(46)40(51-25-34-19-11-5-12-20-34)42(29-44,54-36)53-30-43(47-2)41(52-26-35-21-13-6-14-22-35)39(50-24-33-17-9-4-10-18-33)37(55-43)27-48-23-32-15-7-3-8-16-32/h3-22,36-41,44,46H,23-30H2,1-2H3/t36-,37-,38-,39-,40+,41+,42-,43-/m1/s1
SMILES: CCC1C(N(CC(/C(=N/OCOCCOC)/[C@@H](C[C@]([C@@H]([C@H](C([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)O)C)C)C)C
InChI: InChI=1S/C41H77N3O13/c1-15-31-28(7)44(12)21-24(3)33(43-52-22-51-17-16-49-13)23(2)19-40(9,48)37(57-39-34(45)30(42-11)18-25(4)53-39)26(5)35(27(6)38(47)55-31)56-32-20-41(10,50-14)36(46)29(8)54-32/h23-32,34-37,39,42,45-46,48H,15-22H2,1-14H3/b43-33+/t23-,24?,25-,26+,27-,28?,29+,30+,31?,32+,34-,35?,36+,37-,39+,40+,41-/m1/s1
SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O
InChI: InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18+,19-,20-,21+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H]3C(=O)C[C@@H](C=C3NC4=NC=NN24)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C22H19ClN4O/c1-13-5-7-14(8-6-13)21-20-18(26-22-24-12-25-27(21)22)10-16(11-19(20)28)15-3-2-4-17(23)9-15/h2-10,12,16,20-21H,11H2,1H3,(H,24,25,26)/t16-,20+,21+/m1/s1
SMILES: C/C=C\1/C(=O)C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2[C@@H]4[C@@H]([C@@H]5[C@@]3(CC[C@@H](C5)O[Si](C)(C)C(C)(C)C)C)OC(O4)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C36H64O5Si2/c1-16-23-26(37)20-24-28-29(27(21-36(23,24)11)41-43(14,15)33(5,6)7)35(10)18-17-22(40-42(12,13)32(2,3)4)19-25(35)30-31(28)39-34(8,9)38-30/h16,22,24-25,27-31H,17-21H2,1-15H3/b23-16-/t22-,24-,25+,27-,28-,29-,30+,31+,35-,36+/m0/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)(C)C2=CC=CC3=CC=CC=C32)C
InChI: InChI=1S/C25H32O2/c1-6-18(3)24(26)27-23-16-17(2)14-15-22(23)25(4,5)21-13-9-11-19-10-7-8-12-20(19)21/h6-13,17,22-23H,14-16H2,1-5H3/b18-6+/t17-,22-,23-/m0/s1
SMILES: CCC(=O)SCCSP(N1CCCC1)O[C@H]2C[C@@H](O[C@@H]2COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=C(C(=O)NC6=O)C
InChI: InChI=1S/C40H48N3O8PS2/c1-5-37(44)53-23-24-54-52(42-21-9-10-22-42)51-34-25-36(43-26-28(2)38(45)41-39(43)46)50-35(34)27-49-40(29-11-7-6-8-12-29,30-13-17-32(47-3)18-14-30)31-15-19-33(48-4)20-16-31/h6-8,11-20,26,34-36H,5,9-10,21-25,27H2,1-4H3,(H,41,45,46)/t34-,35+,36+,52?/m0/s1
SMILES: C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CC3=CC=C(C=C3)Cl)O)O)O
InChI: InChI=1S/C21H23ClO8/c22-14-7-5-12(6-8-14)9-17(24)28-11-16-18(25)19(26)20(27)21(30-16)29-15-4-2-1-3-13(15)10-23/h1-8,16,18-21,23,25-27H,9-11H2/t16-,18-,19+,20-,21-/m1/s1
SMILES: C1C[C@H]2C[C@H]1[C@H]([C@H]2N(CC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)N
InChI: InChI=1S/C22H22ClN3O3S/c23-18-7-9-19(10-8-18)30(28,29)26(13-15-3-1-14(12-24)2-4-15)21-17-6-5-16(11-17)20(21)22(25)27/h1-4,7-10,16-17,20-21H,5-6,11,13H2,(H2,25,27)/t16-,17-,20+,21-/m0/s1
SMILES: CC(C)C1=NC=C(C=N1)[C@@H]2[C@H](C2(C)C)C(=O)OC(C#N)C3=NC(=CC=C3)OC4=CC=CC=C4
InChI: InChI=1S/C26H26N4O3/c1-16(2)24-28-14-17(15-29-24)22-23(26(22,3)4)25(31)33-20(13-27)19-11-8-12-21(30-19)32-18-9-6-5-7-10-18/h5-12,14-16,20,22-23H,1-4H3/t20?,22-,23+/m1/s1
SMILES: COC(=O)C1=CC(=O)[C@]2([C@H]3[C@@H]1CC=C[C@H]3CO2)OC
InChI: InChI=1S/C14H16O5/c1-17-13(16)10-6-11(15)14(18-2)12-8(7-19-14)4-3-5-9(10)12/h3-4,6,8-9,12H,5,7H2,1-2H3/t8-,9+,12+,14-/m0/s1
SMILES: C[C@]12CCCC([C@@H]1C[C@H](C34[C@@H]2CC[C@@H]5[C@H]3[C@H](O[C@H]4O)OC5=O)O)(C)C
InChI: InChI=1S/C20H30O5/c1-18(2)7-4-8-19(3)11-6-5-10-14-16(24-15(10)22)25-17(23)20(11,14)13(21)9-12(18)19/h10-14,16-17,21,23H,4-9H2,1-3H3/t10-,11-,12+,13-,14+,16+,17-,19-,20?/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C(=NN=N3)OC4=CC=CC=C4)NC(=O)NCC5=CC=CC=C5
InChI: InChI=1S/C21H22N6O4/c28-20(22-11-14-7-3-1-4-8-14)23-16-12-29-19-17(13-30-18(16)19)27-21(24-25-26-27)31-15-9-5-2-6-10-15/h1-10,16-19H,11-13H2,(H2,22,23,28)/t16-,17-,18+,19+/m0/s1