EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN(C)CCN1C2=C(C[C@H]([C@H](C1=O)CN(C)C)C3=CC=C(C=C3)OC)C=C(C=C2)C(F)(F)F
InChI: InChI=1S/C25H32F3N3O2/c1-29(2)12-13-31-23-11-8-19(25(26,27)28)14-18(23)15-21(22(24(31)32)16-30(3)4)17-6-9-20(33-5)10-7-17/h6-11,14,21-22H,12-13,15-16H2,1-5H3/t21-,22+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)N(C2=O)CC3=CC(=CC=C3)I)I)OC(=O)C
InChI: InChI=1S/C20H20I2N2O7/c1-11(25)29-10-17-16(30-12(2)26)7-18(31-17)23-9-15(22)19(27)24(20(23)28)8-13-4-3-5-14(21)6-13/h3-6,9,16-18H,7-8,10H2,1-2H3/t16-,17+,18+/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@H]2C[C@@H](CC[C@H]2CN1C(=O)OC)CC#N
InChI: InChI=1S/C16H24N2O4/c1-3-22-15(19)14-9-13-8-11(6-7-17)4-5-12(13)10-18(14)16(20)21-2/h11-14H,3-6,8-10H2,1-2H3/t11-,12-,13+,14-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CCC8=CC=C(C=C8)O
InChI: InChI=1S/C42H35Cl2F3N4O6/c1-20-15-23(16-21(2)35(20)53)34-28-11-12-29-33(39(56)50(37(29)54)14-13-22-3-9-27(52)10-4-22)30(28)18-31-38(55)51(40(57)41(31,34)24-5-7-26(43)8-6-24)49-36-32(44)17-25(19-48-36)42(45,46)47/h3-11,15-17,19,29-31,33-34,52-53H,12-14,18H2,1-2H3,(H,48,49)/t29-,30+,31-,33-,34-,41+/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CCC(=O)[C@@]3(C)CCCC4(SCCS4)C)C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H58O2S2Si/c1-27(2,3)37(10,11)34-26-16-19-29(6)23(28(26,4)5)15-20-30(7)24(29)13-14-25(33)31(30,8)17-12-18-32(9)35-21-22-36-32/h23-24,26H,12-22H2,1-11H3/t23-,24+,26-,29-,30+,31+/m0/s1
SMILES: C[C@@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S/C(=C\CO)/C)O[Si](C)(C)C
InChI: InChI=1S/C23H30N2O7SSi/c1-14(10-11-26)33-19-12-18-20(15(2)32-34(3,4)5)22(27)24(18)21(19)23(28)31-13-16-6-8-17(9-7-16)25(29)30/h6-10,15,18,20,26H,11-13H2,1-5H3/b14-10-/t15-,18+,20-/m0/s1
SMILES: C=CCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OCCN7CC7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C50H61FN4O10/c1-3-5-28-62-49(58)54(33-35-12-16-38(51)17-13-35)46-32-44(52-64-34-36-14-18-39(19-15-36)55(59)60)42-30-37(10-6-8-25-56)41(11-7-9-26-57)47-43-31-40(61-29-24-53-22-23-53)20-21-45(43)65-50(46,48(42)47)63-27-4-2/h3-4,12-21,30-31,37,41,46-48,56-57H,1-2,5-11,22-29,32-34H2/t37-,41+,46-,47+,48+,50+/m0/s1
SMILES: CC1=C(C(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N)N
InChI: InChI=1S/C10H16N4O5/c1-3-5(11)6(9(12)18)13-14(3)10-8(17)7(16)4(2-15)19-10/h4,7-8,10,15-17H,2,11H2,1H3,(H2,12,18)/t4-,7-,8-,10-/m1/s1
SMILES: C[C@H]1C=CC(=O)[C@@H]([C@@H]1O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C14H26O2Si/c1-10-8-9-12(15)11(2)13(10)16-17(6,7)14(3,4)5/h8-11,13H,1-7H3/t10-,11-,13+/m0/s1
SMILES: CC1=CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C15H13Cl2NO2/c1-8-2-4-10-11(6-8)15(20)18(14(10)19)9-3-5-12(16)13(17)7-9/h2-3,5,7,10-11H,4,6H2,1H3/t10-,11-/m0/s1
SMILES: CC(=O)OCC(=O)[C@@]1(CC[C@@H]2[C@@H]1CC[C@@H]3[C@@H]2CC=C4[C@@H]3CC[C@@H](C4)C(=O)OC)OC(=O)C
InChI: InChI=1S/C25H34O7/c1-14(26)31-13-23(28)25(32-15(2)27)11-10-21-20-7-4-16-12-17(24(29)30-3)5-6-18(16)19(20)8-9-22(21)25/h4,17-22H,5-13H2,1-3H3/t17-,18-,19-,20-,21-,22-,25-/m0/s1
SMILES: C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC(=O)C3=CC=C(C=C3)O)OC(=O)C4=CC=C(C=C4)O)OC(=O)C5=CC=C(C=C5)O)OC(=O)C6=CC=C(C=C6)O)O
InChI: InChI=1S/C41H32O16/c42-27-11-1-22(2-12-27)36(47)52-21-32-33(54-37(48)23-3-13-28(43)14-4-23)34(55-38(49)24-5-15-29(44)16-6-24)35(56-39(50)25-7-17-30(45)18-8-25)41(53-32)57-40(51)26-9-19-31(46)20-10-26/h1-20,32-35,41-46H,21H2/t32-,33-,34+,35-,41-/m1/s1
SMILES: C[C@]12CC[C@@](C[C@H]1[C@@]3(CC=C4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)[C@]3(CC2)C)C)(C)COC(=O)C6=CC=CC=C6
InChI: InChI=1S/C37H52O3/c1-32(2)28-14-13-27-26(35(28,5)17-16-30(32)38)15-18-37(7)29-23-33(3,19-20-34(29,4)21-22-36(27,37)6)24-40-31(39)25-11-9-8-10-12-25/h8-13,15,28-30,38H,14,16-24H2,1-7H3/t28-,29+,30+,33+,34+,35+,36+,37-/m0/s1
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C32H38O20/c33-7-15-19(37)23(41)26(44)30(49-15)46-9-17-21(39)24(42)27(45)32(51-17)52-29-22(40)18-13(36)5-12(47-31-25(43)20(38)16(8-34)50-31)6-14(18)48-28(29)10-1-3-11(35)4-2-10/h1-6,15-17,19-21,23-27,30-39,41-45H,7-9H2/t15-,16+,17-,19-,20+,21+,23+,24+,25-,26-,27-,30-,31-,32+/m1/s1
SMILES: CN1C2=CC=CC=C2[C@]3(C1=O)CC[NH2+][C@@H]3C4=CC=C(C=C4)OC
InChI: InChI=1S/C19H20N2O2/c1-21-16-6-4-3-5-15(16)19(18(21)22)11-12-20-17(19)13-7-9-14(23-2)10-8-13/h3-10,17,20H,11-12H2,1-2H3/p+1/t17-,19-/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)Cl
InChI: InChI=1S/C20H29ClN2O5S/c1-4-23(5-2)29(26,27)18-12-15(10-11-16(18)21)20(25)28-13-19(24)22-17-9-7-6-8-14(17)3/h10-12,14,17H,4-9,13H2,1-3H3,(H,22,24)/t14-,17+/m1/s1
SMILES: CCC/C=C/CCC(=O)C(C)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C
InChI: InChI=1S/C27H40O3/c1-6-7-8-9-13-16-24(28)21(3)26(29)30-25-19-20(2)17-18-23(25)27(4,5)22-14-11-10-12-15-22/h8-12,14-15,20-21,23,25H,6-7,13,16-19H2,1-5H3/b9-8+/t20-,21?,23-,25-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@@]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)(CC#N)O)O
InChI: InChI=1S/C16H19NO6/c1-20-15-12(18)16(19,7-8-17)13-11(22-15)9-21-14(23-13)10-5-3-2-4-6-10/h2-6,11-15,18-19H,7,9H2,1H3/t11-,12+,13-,14-,15+,16-/m1/s1
SMILES: C[C@]12[C@@H]3[C@H](C[C@@H]4[C@H]3[C@](O1)(O[C@H]4CC=C)C)[C@H](O2)CC=C
InChI: InChI=1S/C17H24O3/c1-5-7-12-10-9-11-13(8-6-2)19-17(4)15(11)14(10)16(3,18-12)20-17/h5-6,10-15H,1-2,7-9H2,3-4H3/t10-,11+,12-,13+,14-,15-,16-,17+/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=O)[C@@H]4C5C6=CC=CC=C6C([C@@]4(C3=O)C)C7=CC=CC=C57
InChI: InChI=1S/C33H26N2O3/c1-19-9-3-8-14-26(19)34-30(36)20-15-17-21(18-16-20)35-31(37)29-27-22-10-4-6-12-24(22)28(33(29,2)32(35)38)25-13-7-5-11-23(25)27/h3-18,27-29H,1-2H3,(H,34,36)/t27?,28?,29-,33-/m0/s1
SMILES: C[C@H]1/C=C/[C@H]2C[C@@H](C[C@@H]3C[C@H](C[C@H]4C[C@H](C[C@@H]5C[C@H](C/C=C/C=C/C=C/C=C/C=C/C(=O)O[C@H]1C(C)C)OC(O5)(C)C)OC(O4)(C)C)OC(O3)(C)C)OC(O2)(C)C
InChI: InChI=1S/C47H72O10/c1-32(2)43-33(3)23-24-35-26-37(53-45(6,7)51-35)28-39-30-41(57-47(10,11)55-39)31-40-29-38(54-46(8,9)56-40)27-36-25-34(50-44(4,5)52-36)21-19-17-15-13-12-14-16-18-20-22-42(48)49-43/h12-20,22-24,32-41,43H,21,25-31H2,1-11H3/b14-12+,15-13+,18-16+,19-17+,22-20+,24-23+/t33-,34-,35-,36-,37-,38-,39+,40+,41+,43-/m0/s1
SMILES: CC1(O[C@@H]2C[C@@]3(O[C@@H]([C@@H]2O1)[C@H](O3)O)C(=O)NC4CCCCC4)C
InChI: InChI=1S/C16H25NO6/c1-15(2)20-10-8-16(14(19)17-9-6-4-3-5-7-9)22-12(11(10)21-15)13(18)23-16/h9-13,18H,3-8H2,1-2H3,(H,17,19)/t10-,11-,12+,13+,16+/m1/s1
SMILES: C[C@H](C(C)C)[C@]1(CC[C@@]2(C3=C(CC[C@]2([C@@H]1C(=O)O)C)[C@]4(C[C@H]([C@@H](C([C@@H]4CC3)(C)C)O[C@@H]5C[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)OC(=O)C)C)C)C
InChI: InChI=1S/C39H64O9/c1-20(2)21(3)36(7)15-16-38(9)25-11-12-28-35(5,6)33(48-26-17-23(19-40)29(42)31(44)30(26)43)27(47-22(4)41)18-37(28,8)24(25)13-14-39(38,10)32(36)34(45)46/h20-21,23,26-33,40,42-44H,11-19H2,1-10H3,(H,45,46)/t21-,23-,26-,27-,28+,29-,30+,31+,32-,33+,36-,37-,38-,39+/m1/s1
SMILES: C1CCC(CC1)C(=O)N=C2N([C@H]3CS(=O)(=O)C[C@H]3S2)C4=CC=CC=C4Cl
InChI: InChI=1S/C18H21ClN2O3S2/c19-13-8-4-5-9-14(13)21-15-10-26(23,24)11-16(15)25-18(21)20-17(22)12-6-2-1-3-7-12/h4-5,8-9,12,15-16H,1-3,6-7,10-11H2/t15-,16+/m0/s1
SMILES: COCCOC(=O)N1C2=CC=CC=C2[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC=C
InChI: InChI=1S/C40H37N3O8/c1-3-22-41-36(45)31-33-37(46)51-34(26-14-8-5-9-15-26)32(25-12-6-4-7-13-25)43(33)35(27-18-20-28(44)21-19-27)40(31)29-16-10-11-17-30(29)42(38(40)47)39(48)50-24-23-49-2/h3-21,31-35,44H,1,22-24H2,2H3,(H,41,45)/t31-,32-,33-,34+,35+,40-/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)OS(=O)(=O)O)C(=O)O)C
InChI: InChI=1S/C8H11NO7S2/c1-8(2)4(7(11)12)9-5(10)3(6(9)17-8)16-18(13,14)15/h3-4,6H,1-2H3,(H,11,12)(H,13,14,15)/t3-,4+,6-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](C(=O)N1CC2=CC=CC=C2)CC(=O)O)C(=O)C
InChI: InChI=1S/C16H19NO4/c1-10-15(11(2)18)13(8-14(19)20)16(21)17(10)9-12-6-4-3-5-7-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,19,20)/t10-,13+,15+/m1/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)/N=C\C4=CC=C(O4)C5=CC=CC=C5C(=O)O
InChI: InChI=1S/C22H18N2O5/c25-20-18-12-5-6-13(8-7-12)19(18)21(26)24(20)23-11-14-9-10-17(29-14)15-3-1-2-4-16(15)22(27)28/h1-6,9-13,18-19H,7-8H2,(H,27,28)/b23-11-/t12-,13+,18-,19+
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C(=CC(=C3)Cl)Cl)C4=CC=NC=C4
InChI: InChI=1S/C17H14Cl2N2/c18-11-8-14(19)16-12-2-1-3-13(12)17(21-15(16)9-11)10-4-6-20-7-5-10/h1-2,4-9,12-13,17,21H,3H2/t12-,13-,17+/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)C5=C(C(=C(C(=C5F)F)F)F)F)CN6CCC7=CC(=C(C=C7C6)OC)OC
InChI: InChI=1S/C44H41F5N2O6/c1-24-35(22-51-15-14-30-18-33(54-2)34(55-3)19-32(30)21-51)56-44(57-42(24)27-12-10-25(23-52)11-13-27)31-9-5-8-29(17-31)28-7-4-6-26(16-28)20-50-43(53)36-37(45)39(47)41(49)40(48)38(36)46/h4-13,16-19,24,35,42,44,52H,14-15,20-23H2,1-3H3,(H,50,53)/t24-,35+,42+,44+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@]5(C2(C)C)[C@H](C1=O)OC(=O)O5)C(=O)OCC6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C37H36Cl6O16/c1-16-21-24(56-30(49)54-15-36(41,42)43)26(46)33(5)19(55-29(48)53-14-35(38,39)40)11-20-34(13-52-20,58-17(2)44)25(33)22(28(47)51-12-18-9-7-6-8-10-18)37(32(21,3)4)27(23(16)45)57-31(50)59-37/h6-10,19-20,22,24-25,27H,11-15H2,1-5H3/t19-,20+,22+,24+,25-,27-,33+,34-,37-/m0/s1
SMILES: CCCCOC1=CC=C(C=C1)[C@H]2[C@@H]3C(=O)CC(C=C3NC4=CC=CC=C4N2)(C)C
InChI: InChI=1S/C25H30N2O2/c1-4-5-14-29-18-12-10-17(11-13-18)24-23-21(15-25(2,3)16-22(23)28)26-19-8-6-7-9-20(19)27-24/h6-13,15,23-24,26-27H,4-5,14,16H2,1-3H3/t23-,24-/m0/s1
SMILES: CN1C2=CC=CC=C2[C@@H]3CC(=O)C[C@H]([C@@]3(C1=O)C(=O)OC)OC
InChI: InChI=1S/C17H19NO5/c1-18-13-7-5-4-6-11(13)12-8-10(19)9-14(22-2)17(12,15(18)20)16(21)23-3/h4-7,12,14H,8-9H2,1-3H3/t12-,14+,17-/m0/s1
SMILES: CC[C@H](CC#N)OC(=O)N[C@@H](C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C3=CN=CO3)OC.C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)F)N
InChI: InChI=1S/C25H27N5O5.C10H12FN5O4/c1-4-20(10-11-26)35-25(32)28-16(2)17-6-5-7-18(12-17)29-24(31)30-19-8-9-21(22(13-19)33-3)23-14-27-15-34-23;11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h5-9,12-16,20H,4,10H2,1-3H3,(H,28,32)(H2,29,30,31);2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t16-,20+;3-,5-,6+,9-/m01/s1
SMILES: C[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CC=C3OC)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C17H20N2O5/c1-17(16(22)24-4)12-11(14(20)19(2)15(12)21)13(18-17)9-7-5-6-8-10(9)23-3/h5-8,11-13,18H,1-4H3/t11-,12+,13-,17-/m0/s1
SMILES: CC[C@H](CO)N1[C@H]2[C@H](CO[C@@H]2[C@H](CO)OCC=C)CO1
InChI: InChI=1S/C14H25NO5/c1-3-5-18-12(7-17)14-13-10(8-19-14)9-20-15(13)11(4-2)6-16/h3,10-14,16-17H,1,4-9H2,2H3/t10-,11-,12+,13+,14-/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2OC(=O)[C@@]34C[C@@H]3CCC4=O)C5=CC6=CC=CC=C6C=C5
InChI: InChI=1S/C27H30O3/c1-25(2)20-12-13-26(25,3)23(30-24(29)27-15-19(27)10-11-21(27)28)22(20)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14,19-20,22-23H,10-13,15H2,1-3H3/t19-,20+,22+,23+,26-,27-/m0/s1
SMILES: CO[C@H]1[C@](NC(=N1)N)(CCCNC(=O)C2=CC(=C(N2)Br)Br)OC
InChI: InChI=1S/C13H19Br2N5O3/c1-22-11-13(23-2,20-12(16)19-11)4-3-5-17-10(21)8-6-7(14)9(15)18-8/h6,11,18H,3-5H2,1-2H3,(H,17,21)(H3,16,19,20)/t11-,13-/m0/s1
SMILES: C/C/1=C/[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H]([C@@H]([C@@]3(C)OC(=O)C)OC(=O)C)OC(=O)C)C(C)C)[C@@H](O2)[C@]4(CC[C@@]1(O4)O)C
InChI: InChI=1S/C26H38O9/c1-12(2)18-19-20(17-11-13(3)26(30)10-9-24(7,35-26)22(19)33-17)25(8,34-16(6)29)23(32-15(5)28)21(18)31-14(4)27/h11-12,17-23,30H,9-10H2,1-8H3/b13-11-/t17-,18-,19-,20-,21+,22-,23+,24-,25+,26+/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=C(C(=C(C=C4[C@H]3CC[C@@]2([C@H]1OC(=O)C)C)N)O)Br
InChI: InChI=1S/C22H28BrNO5/c1-10(25)28-18-9-16-13-4-5-14-15(8-17(24)20(27)19(14)23)12(13)6-7-22(16,3)21(18)29-11(2)26/h8,12-13,16,18,21,27H,4-7,9,24H2,1-3H3/t12-,13+,16-,18+,21-,22-/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C=CC7=CC(=C(C(=C7)OC)O)OC)C(=O)N(C5=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9
InChI: InChI=1S/C50H43N3O8/c1-29-14-19-34(20-15-29)51-53-47(57)40-28-38-36(23-24-37-43(38)48(58)52(46(37)56)35-21-17-32(18-22-35)44(54)31-10-6-4-7-11-31)39(50(40,49(53)59)33-12-8-5-9-13-33)25-16-30-26-41(60-2)45(55)42(27-30)61-3/h4-23,25-27,37-40,43,51,55H,24,28H2,1-3H3/t37-,38+,39-,40-,43-,50-/m0/s1
SMILES: CC(C)(C)[Si](/C=C/1\C[C@H]2CCC[C@H]2C1=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H30OSi/c1-25(2,3)27(21-12-6-4-7-13-21,22-14-8-5-9-15-22)18-20-17-19-11-10-16-23(19)24(20)26/h4-9,12-15,18-19,23H,10-11,16-17H2,1-3H3/b20-18+/t19-,23-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)C5=CC6=CC=CC=C6C=C5
InChI: InChI=1S/C45H56N2O7/c1-5-22-47(44(50)34-19-18-31-14-8-9-15-32(31)27-34)41-30-39(46-51-4)37-28-33(16-10-12-23-48)36(17-11-13-24-49)42-38-29-35(52-25-6-2)20-21-40(38)54-45(41,43(37)42)53-26-7-3/h6-9,14-15,18-21,27-29,33,36,41-43,48-49H,2-3,5,10-13,16-17,22-26,30H2,1,4H3/t33-,36+,41-,42+,43+,45+/m0/s1
SMILES: CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)OC)O)O
InChI: InChI=1S/C23H29NO5/c1-24(2)15-17-7-4-5-12-23(17,27)16-8-6-9-19(13-16)29-22(26)20-11-10-18(28-3)14-21(20)25/h6,8-11,13-14,17,25,27H,4-5,7,12,15H2,1-3H3/t17-,23+/m1/s1
SMILES: C[C@@H]1CC[C@@]23CCC(=O)C2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)C4C(=O)NC=CN4)C
InChI: InChI=1S/C25H36N2O5/c1-6-23(4)13-17(32-22(31)18-21(30)27-12-11-26-18)24(5)14(2)7-9-25(15(3)20(23)29)10-8-16(28)19(24)25/h6,11-12,14-15,17-20,26,29H,1,7-10,13H2,2-5H3,(H,27,30)/t14-,15+,17-,18?,19?,20+,23-,24+,25+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CO)F
InChI: InChI=1S/C11H12BrFN2O4/c12-2-1-6-4-15(11(18)14-10(6)17)9-3-7(13)8(5-16)19-9/h1-2,4,7-9,16H,3,5H2,(H,14,17,18)/b2-1+/t7-,8+,9+/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC7=CC=CC=C7C=C6)CCCCO)CCCCO)SC8=CC=CC=C8
InChI: InChI=1S/C48H55NO7S/c1-2-27-53-48-44(57-38-17-4-3-5-18-38)32-42(49-56-45-20-10-13-28-52-45)40-30-35(16-8-11-25-50)39(19-9-12-26-51)46(47(40)48)41-31-37(23-24-43(41)55-48)54-36-22-21-33-14-6-7-15-34(33)29-36/h2-7,14-15,17-18,21-24,29-31,35,39,44-47,50-51H,1,8-13,16,19-20,25-28,32H2/t35-,39+,44-,45?,46+,47+,48+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@]2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)NC(=O)C)OC)O
InChI: InChI=1S/C35H37NO14/c1-12-10-11-18-21-19(12)31(41)49-27-20-16(26(39)23(22(21)27)32(42)47-18)8-7-9-17(20)48-34-30(35(5,43)29(40)14(3)46-34)50-33-24(36-15(4)37)28(44-6)25(38)13(2)45-33/h7-11,13-14,24-25,28-30,33-34,38-40,43H,1-6H3,(H,36,37)/t13-,14-,24-,25+,28-,29+,30+,33-,34+,35+/m1/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCCOC)C2=CC=CC3=C2CC4=CC=CC=C43)CCCO
InChI: InChI=1S/C27H33NO5/c1-3-32-27-22(12-7-14-29)24(17-25(33-27)26(30)28-13-15-31-2)21-11-6-10-20-19-9-5-4-8-18(19)16-23(20)21/h4-6,8-11,17,22,24,27,29H,3,7,12-16H2,1-2H3,(H,28,30)/t22-,24+,27+/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC(=C3)C=CCC4=CC=CC=C4O)C(=O)NCCC(=O)NCCO)CCCCC
InChI: InChI=1S/C39H52N2O8/c1-3-5-9-20-39(21-10-6-4-2)48-34-27-31(37(45)41-22-19-35(44)40-23-24-42)26-33(36(34)49-39)47-38(46)30-17-12-14-28(25-30)13-11-16-29-15-7-8-18-32(29)43/h7-8,11-15,17-18,25,27,33-34,36,42-43H,3-6,9-10,16,19-24,26H2,1-2H3,(H,40,44)(H,41,45)/t33-,34-,36+/m1/s1
SMILES: CCC(=C1C=C[C@H]2[C@@H]1C2(C)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4)CC
InChI: InChI=1S/C26H28O3/c1-4-19(5-2)22-14-15-23-24(22)26(23,3)25(27)28-17-18-10-9-13-21(16-18)29-20-11-7-6-8-12-20/h6-16,23-24H,4-5,17H2,1-3H3/t23-,24+,26?/m0/s1
SMILES: CCN(CC)C(=O)CN1CC[C@H]2C[C@H](N([C@H]2C1)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)NO
InChI: InChI=1S/C21H32N4O6S/c1-4-24(5-2)20(26)14-23-11-10-15-12-18(21(27)22-28)25(19(15)13-23)32(29,30)17-8-6-16(31-3)7-9-17/h6-9,15,18-19,28H,4-5,10-14H2,1-3H3,(H,22,27)/t15-,18-,19-/m0/s1
SMILES: C[C@@]1([C@](O[C@@H]2[C@@H](O1)[C@H](OCC2=O)OCC3=CC=CC=C3)(C)OC)OC
InChI: InChI=1S/C18H24O7/c1-17(20-3)18(2,21-4)25-15-14(24-17)13(19)11-23-16(15)22-10-12-8-6-5-7-9-12/h5-9,14-16H,10-11H2,1-4H3/t14-,15+,16-,17+,18+/m0/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@@]([C@@]2(C[C@@H]([C@@]3([C@@]2(CCC4[C@H]3C[C@H]([C@@]5([C@@]4(C(=O)CCC5)C)O)O)C)O)O)O)(O)OC)CO
InChI: InChI=1S/C28H42O11/c1-14-10-21(39-22(33)15(14)13-29)28(37,38-4)26(35)12-20(32)27(36)17-11-19(31)25(34)8-5-6-18(30)24(25,3)16(17)7-9-23(26,27)2/h16-17,19-21,29,31-32,34-37H,5-13H2,1-4H3/t16?,17-,19-,20+,21-,23-,24+,25+,26+,27+,28-/m1/s1
SMILES: C1CCC2=C(C1)C(=C(S2)N3C(=O)[C@@H]4[C@H](N[C@@]5([C@@H]4C3=O)C6=C(C=CC(=C6)Cl)NC5=O)CC(=O)N)C#N
InChI: InChI=1S/C24H20ClN5O4S/c25-10-5-6-14-13(7-10)24(23(34)28-14)19-18(15(29-24)8-17(27)31)20(32)30(21(19)33)22-12(9-26)11-3-1-2-4-16(11)35-22/h5-7,15,18-19,29H,1-4,8H2,(H2,27,31)(H,28,34)/t15-,18-,19+,24-/m1/s1
SMILES: C[C@H]1CC[C@H](C[C@@H]1C)OC(=O)C2=C(NC(=O)N[C@@H]2C3=CC=C(C=C3)N(C)C)C
InChI: InChI=1S/C22H31N3O3/c1-13-6-11-18(12-14(13)2)28-21(26)19-15(3)23-22(27)24-20(19)16-7-9-17(10-8-16)25(4)5/h7-10,13-14,18,20H,6,11-12H2,1-5H3,(H2,23,24,27)/t13-,14-,18+,20+/m0/s1
SMILES: C[C@]12CCC(CC1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(C4O)O)C)O
InChI: InChI=1S/C19H32O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-17,20-22H,3-10H2,1-2H3/t11?,12?,13-,14+,15+,16?,17?,18+,19+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](O2)(CN3C=NC4=C(N=CN=C43)N)CO)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H33N7O5Si/c1-13-8-29(20(32)27-19(13)31)15-7-14(34-35(5,6)21(2,3)4)22(10-30,33-15)9-28-12-26-16-17(23)24-11-25-18(16)28/h8,11-12,14-15,30H,7,9-10H2,1-6H3,(H2,23,24,25)(H,27,31,32)/t14-,15+,22+/m0/s1
SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CCCC2=C)(C)CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C20H38O2Si/c1-15-10-9-11-16-19(15,5)13-12-17(21)20(16,6)14-22-23(7,8)18(2,3)4/h16-17,21H,1,9-14H2,2-8H3/t16-,17+,19-,20+/m1/s1
SMILES: CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2C3=CN=C(C=C3)Cl
InChI: InChI=1S/C16H21ClN2O2/c1-16(2,3)21-15(20)19-9-11-6-12(19)7-13(11)10-4-5-14(17)18-8-10/h4-5,8,11-13H,6-7,9H2,1-3H3/t11-,12-,13-/m0/s1
SMILES: CC1([C@H]([C@@H]([NH2+][C@@H]([C@@H]1[N+](=O)[O-])C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)[N+](=O)[O-])C
InChI: InChI=1S/C21H25N3O6/c1-21(2)19(23(25)26)17(13-5-9-15(29-3)10-6-13)22-18(20(21)24(27)28)14-7-11-16(30-4)12-8-14/h5-12,17-20,22H,1-4H3/p+1/t17-,18+,19-,20-/m0/s1
SMILES: CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4OC(=O)CCC(=O)OC)O
InChI: InChI=1S/C25H32N2O5/c1-4-13-14-11-17-22-25(15-7-5-6-8-16(15)26(22)2)12-18(27(17)24(13)30)21(14)23(25)32-20(29)10-9-19(28)31-3/h5-8,13-14,17-18,21-24,30H,4,9-12H2,1-3H3/t13-,14?,17-,18-,21?,22-,23+,24+,25?/m0/s1
SMILES: C[C@@H]1CO[C@H](O[C@H]1[C@H]2C([C@H](OC(O2)C3=CC=C(C=C3)OC)[C@@H]4[C@H](CO[C@@H](O4)C5=CC=C(C=C5)OC)C)C)C6=CC=C(C=C6)OC
InChI: InChI=1S/C36H44O9/c1-21-19-40-34(24-7-13-27(37-4)14-8-24)42-30(21)32-23(3)33(45-36(44-32)26-11-17-29(39-6)18-12-26)31-22(2)20-41-35(43-31)25-9-15-28(38-5)16-10-25/h7-18,21-23,30-36H,19-20H2,1-6H3/t21-,22+,23?,30-,31+,32-,33+,34-,35+,36?
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)[C@]34C[C@@]5([C@H](CC[C@@H]5[C@@H]6[C@@H]3C7=CC=CC=C7CC6)C=C)OC4=O
InChI: InChI=1S/C31H38O4/c1-5-19-11-13-23-22-12-10-18-8-6-7-9-21(18)25(22)30(17-31(19,23)35-27(30)33)26(32)34-24-16-20-14-15-29(24,4)28(20,2)3/h5-9,19-20,22-25H,1,10-17H2,2-4H3/t19-,20-,22+,23+,24+,25-,29+,30-,31-/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)C4=CC=CC=C4)CN5CCOCC5
InChI: InChI=1S/C30H34N2O5/c1-21-27(19-32-14-16-35-17-15-32)36-30(37-28(21)23-12-10-22(20-33)11-13-23)25-8-5-9-26(18-25)31-29(34)24-6-3-2-4-7-24/h2-13,18,21,27-28,30,33H,14-17,19-20H2,1H3,(H,31,34)/t21-,27+,28+,30+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13+/m1/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@H]([C@H](SC2=S)C3=CC=C(C=C3)Cl)S
InChI: InChI=1S/C17H14ClNOS3/c1-10-4-2-3-5-13(10)19-16(20)14(21)15(23-17(19)22)11-6-8-12(18)9-7-11/h2-9,14-15,21H,1H3/t14-,15+/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1CCN2[C@@H]1C3(CC4(C3(O2)Cl)CC4)C(=O)OC
InChI: InChI=1S/C21H36ClNO4Si/c1-13(2)28(14(3)4,15(5)6)26-16-8-11-23-17(16)20(18(24)25-7)12-19(9-10-19)21(20,22)27-23/h13-17H,8-12H2,1-7H3/t16-,17-,20?,21?/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F
InChI: InChI=1S/C17H20F2N2O4/c1-10-4-2-3-5-14(10)20-17(24)21-15(22)9-25-16(23)12-7-6-11(18)8-13(12)19/h6-8,10,14H,2-5,9H2,1H3,(H2,20,21,22,24)/t10-,14-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC3=C(N=CN=C32)NC4CC4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI: InChI=1S/C15H23N4O13P3/c1-15(21)11(20)10(6-29-34(25,26)32-35(27,28)31-33(22,23)24)30-14(15)19-5-4-9-12(18-8-2-3-8)16-7-17-13(9)19/h4-5,7-8,10-11,14,20-21H,2-3,6H2,1H3,(H,25,26)(H,27,28)(H,16,17,18)(H2,22,23,24)/t10-,11-,14-,15-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N)C)C.[Cl-]
InChI: InChI=1S/C27H49N.ClH/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;/h18-25H,6-17,28H2,1-5H3;1H/p-1/t19-,20+,21-,22+,23-,24+,25+,26+,27-;/m1./s1
SMILES: CC1=C2[C@H]([C@@H]([C@@](CC2=NN1)(C)O)C(=O)C)C3=CC=CO3
InChI: InChI=1S/C15H18N2O3/c1-8-12-10(17-16-8)7-15(3,19)14(9(2)18)13(12)11-5-4-6-20-11/h4-6,13-14,19H,7H2,1-3H3,(H,16,17)/t13-,14+,15+/m1/s1
SMILES: C[C@]12CCCCC1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@@H]4O)F)C
InChI: InChI=1S/C19H29FO2/c1-18-7-4-3-5-13(18)16(21)9-11-12(18)6-8-19(2)14(11)10-15(20)17(19)22/h11-15,17,22H,3-10H2,1-2H3/t11-,12+,13?,14+,15-,17+,18-,19+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N(C(=O)NC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)O
InChI: InChI=1S/C21H28N6O10/c1-9-6-25(20(33)23-17(9)30)15-3-11(14(8-28)37-15)27(35)19(32)22-5-13-12(29)4-16(36-13)26-7-10(2)18(31)24-21(26)34/h6-7,11-16,28-29,35H,3-5,8H2,1-2H3,(H,22,32)(H,23,30,33)(H,24,31,34)/t11-,12-,13+,14+,15+,16+/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)[N+](=O)[O-])CO)O)F
InChI: InChI=1S/C12H14FN5O5/c1-12(13)8(20)6(3-19)23-11(12)17-2-5(18(21)22)7-9(14)15-4-16-10(7)17/h2,4,6,8,11,19-20H,3H2,1H3,(H2,14,15,16)/t6-,8-,11-,12-/m1/s1
SMILES: CCC[C@@H]\1[C@H](N[C@H](C/C1=N/O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H24N2O/c1-2-9-17-19(22-23)14-18(15-10-5-3-6-11-15)21-20(17)16-12-7-4-8-13-16/h3-8,10-13,17-18,20-21,23H,2,9,14H2,1H3/b22-19-/t17-,18+,20+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)I)O)OC)C(=O)N(C4=O)C(=O)N)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C29H26IN3O7/c1-29-18(25(36)32(27(29)38)14-6-4-3-5-7-14)12-17-15(22(29)13-10-19(30)23(34)20(11-13)40-2)8-9-16-21(17)26(37)33(24(16)35)28(31)39/h3-8,10-11,16-18,21-22,34H,9,12H2,1-2H3,(H2,31,39)/t16-,17+,18-,21-,22-,29+/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C4C=C[C@H]([C@@H](C4=C3[N+](=O)[O-])O)O
InChI: InChI=1S/C18H13NO4/c20-15-8-6-11-9-14-12-4-2-1-3-10(12)5-7-13(14)17(19(22)23)16(11)18(15)21/h1-9,15,18,20-21H/t15-,18+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)COC(=O)C2=CC=CC=C2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H30O7/c1-31-28-26(33-18-21-13-7-3-8-14-21)25(32-17-20-11-5-2-6-12-20)24(29)23(35-28)19-34-27(30)22-15-9-4-10-16-22/h2-16,23-26,28-29H,17-19H2,1H3/t23-,24+,25-,26-,28+/m1/s1
SMILES: CC(=O)C1=CC=CC(=C1)CN2[C@H]3CS[C@H]([C@H]3N(C2=O)CC4=CC(=CC=C4)C(=O)C)CCCCC(=O)OCC5=CC(=CC=C5)C(=O)C
InChI: InChI=1S/C37H40N2O6S/c1-24(40)30-12-6-9-27(17-30)20-38-33-23-46-34(36(33)39(37(38)44)21-28-10-7-13-31(18-28)25(2)41)15-4-5-16-35(43)45-22-29-11-8-14-32(19-29)26(3)42/h6-14,17-19,33-34,36H,4-5,15-16,20-23H2,1-3H3/t33-,34-,36-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H](C)[C@@H](C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCN=C(N)N)CC(=O)O)C(=O)O)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C36H55N9O18S2/c1-14(59-35-29(63-19(6)49)28(62-18(5)48)27(15(2)60-35)61-17(4)47)26(41-16(3)46)33(56)44-22-12-64-65-13-23(34(57)58)45-31(54)21(10-25(51)52)42-24(50)11-40-30(53)20(43-32(22)55)8-7-9-39-36(37)38/h14-15,20-23,26-29,35H,7-13H2,1-6H3,(H,40,53)(H,41,46)(H,42,50)(H,43,55)(H,44,56)(H,45,54)(H,51,52)(H,57,58)(H4,37,38,39)/t14-,15+,20+,21+,22+,23+,26+,27+,28-,29-,35-/m1/s1
SMILES: CCN1C[C@@]2(CCC([C@@]34C2CC(C31)[C@]5(C[C@@H]([C@H]6CC4[C@@]5([C@H]6OC)O)OC)O)O)O
InChI: InChI=1S/C22H35NO6/c1-4-23-10-19(25)6-5-16(24)21-14(19)8-12(17(21)23)20(26)9-13(28-2)11-7-15(21)22(20,27)18(11)29-3/h11-18,24-27H,4-10H2,1-3H3/t11-,12?,13+,14?,15?,16?,17?,18+,19-,20+,21+,22+/m1/s1