EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)[C@@H]1C[C@@]23CC[C@]14C5([C@H]2N(CC5)C[C@H]6[C@@H]3O6)C7=CC=CC=C7N4
InChI: InChI=1S/C21H24N2O3/c1-25-17(24)13-10-19-6-7-21(13)20(12-4-2-3-5-14(12)22-21)8-9-23(18(19)20)11-15-16(19)26-15/h2-5,13,15-16,18,22H,6-11H2,1H3/t13-,15-,16-,18-,19+,20?,21+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C20H26N2O5/c1-13-6-4-9-18(14(13)2)21-20(24)15(3)27-19(23)11-10-16-7-5-8-17(12-16)22(25)26/h5,7-8,10-15,18H,4,6,9H2,1-3H3,(H,21,24)/b11-10+/t13-,14+,15+,18-/m0/s1
SMILES: CC1=C2[C@H]3[C@H](C3(C)C)CC2=C(S1)C(=O)NCC4=C(C=C(C=C4)OCCCO)Cl
InChI: InChI=1S/C22H26ClNO3S/c1-12-18-15(10-16-19(18)22(16,2)3)20(28-12)21(26)24-11-13-5-6-14(9-17(13)23)27-8-4-7-25/h5-6,9,16,19,25H,4,7-8,10-11H2,1-3H3,(H,24,26)/t16-,19-/m1/s1
SMILES: CN1C2=C(C=C(C=C2Cl)Cl)[C@]3(C1=O)CCOC(=O)[C@H]3C4=CC=C(C=C4)Br
InChI: InChI=1S/C19H14BrCl2NO3/c1-23-16-13(8-12(21)9-14(16)22)19(18(23)25)6-7-26-17(24)15(19)10-2-4-11(20)5-3-10/h2-5,8-9,15H,6-7H2,1H3/t15-,19-/m1/s1
SMILES: CC1=C(C([C@@]2(CC1)[C@@H](OC(O2)C3=CC=CC=C3)[C@@H]([C@H](C)C(C#N)OC(C)(C)OC)C(=C)COCOCC[Si](C)(C)C)(C)C)COC(=O)C
InChI: InChI=1S/C38H59NO8Si/c1-26-18-19-38(36(5,6)31(26)24-44-29(4)40)34(45-35(47-38)30-16-14-13-15-17-30)33(28(3)32(22-39)46-37(7,8)41-9)27(2)23-43-25-42-20-21-48(10,11)12/h13-17,28,32-35H,2,18-21,23-25H2,1,3-12H3/t28-,32?,33-,34+,35?,38-/m1/s1
SMILES: C[C@@H]1C=C[C@@H]2CCCC[C@H]2[C@@H]1C(CC(=O)CC(=O)OC)O
InChI: InChI=1S/C17H26O4/c1-11-7-8-12-5-3-4-6-14(12)17(11)15(19)9-13(18)10-16(20)21-2/h7-8,11-12,14-15,17,19H,3-6,9-10H2,1-2H3/t11-,12+,14-,15?,17-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@]45CCO5)C
InChI: InChI=1S/C21H30O2/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)11-12-23-21/h13,16-18H,3-12H2,1-2H3/t16-,17-,18+,19-,20-,21+/m0/s1
SMILES: C[C@]1([C@](O1)(C)C2CCCCC2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H23NO5/c1-17(18(2,24-17)14-6-4-3-5-7-14)12-23-16(20)13-8-10-15(11-9-13)19(21)22/h8-11,14H,3-7,12H2,1-2H3/t17-,18+/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@@H]2C[NH+](CC3)C)C(=O)CSC4=NC5=C(N4C)C(=O)N(C(=O)N5C)CC6=CC=CC=C6Cl
InChI: InChI=1S/C29H31ClN6O3S/c1-17-9-10-22-19(13-17)20-15-32(2)12-11-23(20)36(22)24(37)16-40-28-31-26-25(33(28)3)27(38)35(29(39)34(26)4)14-18-7-5-6-8-21(18)30/h5-10,13,20,23H,11-12,14-16H2,1-4H3/p+1/t20-,23-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1C([C@@H](CO)O)O)C(O)O)N
InChI: InChI=1S/C11H20N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-11,14,16-19H,3,12H2,1H3,(H,13,15)/t5-,6+,8+,9?,10+/m0/s1
SMILES: CC1=C2C=CC(=C[C@@H]2OC(=O)C1)O[C@@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C
InChI: InChI=1S/C18H23NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-4,6,12-13,15-18,20,23-24H,5,7H2,1-2H3,(H,19,21)/t12-,13+,15-,16-,17+,18-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34C
InChI: InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
SMILES: C[C@@H]([C@@H]1C[C@H]2CC[C@@H]1C2)NC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53
InChI: InChI=1S/C24H28N2OS/c1-16(19-15-17-10-11-18(19)14-17)25-24(27)12-13-26-20-6-2-4-8-22(20)28-23-9-5-3-7-21(23)26/h2-9,16-19H,10-15H2,1H3,(H,25,27)/t16-,17-,18+,19-/m0/s1
SMILES: CO[C@](C1=CC=CC=C1)(C(=O)O[C@@H]2CCC3=C([C@@H]2OC(=O)[C@](C4=CC=CC=C4)(C(F)(F)F)OC)C5=C(C=C3)C6=CC=CC=C6C=C5)C(F)(F)F
InChI: InChI=1S/C38H30F6O6/c1-47-35(37(39,40)41,25-12-5-3-6-13-25)33(45)49-30-22-19-24-18-20-28-27-16-10-9-11-23(27)17-21-29(28)31(24)32(30)50-34(46)36(48-2,38(42,43)44)26-14-7-4-8-15-26/h3-18,20-21,30,32H,19,22H2,1-2H3/t30-,32-,35-,36-/m1/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCCCN2CCCC2=O)C3=CC=CC=C3)CCOCCOCCO
InChI: InChI=1S/C27H40N2O7/c1-2-35-27-22(11-16-33-18-19-34-17-15-30)23(21-8-4-3-5-9-21)20-24(36-27)26(32)28-12-7-14-29-13-6-10-25(29)31/h3-5,8-9,20,22-23,27,30H,2,6-7,10-19H2,1H3,(H,28,32)/t22-,23-,27-/m1/s1
SMILES: CC1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)C4=CC=CC=C4OC
InChI: InChI=1S/C20H20N2O4S2/c1-13-7-9-14(10-8-13)22-16-11-28(24,25)12-18(16)27-20(22)21-19(23)15-5-3-4-6-17(15)26-2/h3-10,16,18H,11-12H2,1-2H3/t16-,18+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)NC45CC6CC(C4)CC(C6)C5)CSC7=NC=CC=N7
InChI: InChI=1S/C35H42N4O4S/c1-22-30(21-44-34-36-11-2-12-37-34)42-32(43-31(22)28-7-5-24(20-40)6-8-28)29-9-3-23(4-10-29)19-38-33(41)39-35-16-25-13-26(17-35)15-27(14-25)18-35/h2-12,22,25-27,30-32,40H,13-21H2,1H3,(H2,38,39,41)/t22-,25?,26?,27?,30+,31+,32+,35?/m1/s1
SMILES: C1CCC(CC1)(C2=CN(N=N2)C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NCC5=CC=CO5)O
InChI: InChI=1S/C22H31N5O3/c28-21(23-12-18-5-4-10-30-18)19-14-26-9-6-16(19)11-17(26)13-27-15-20(24-25-27)22(29)7-2-1-3-8-22/h4-5,10,15-17,19,29H,1-3,6-9,11-14H2,(H,23,28)/t16-,17-,19+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C21H25N3O5/c1-23(2)15-9-7-14(8-10-15)22-18(25)13-29-19(26)11-12-24-20(27)16-5-3-4-6-17(16)21(24)28/h3-4,7-10,16-17H,5-6,11-13H2,1-2H3,(H,22,25)/t16-,17-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=C(C(=CC=C2)OC)OC
InChI: InChI=1S/C21H29NO5/c1-14-7-5-9-17(15(14)2)22-19(23)13-27-20(24)12-11-16-8-6-10-18(25-3)21(16)26-4/h6,8,10-12,14-15,17H,5,7,9,13H2,1-4H3,(H,22,23)/b12-11+/t14-,15+,17+/m0/s1
SMILES: CC1(CCC[C@@]([C@H]1CC2=C(C(=C(C=C2)OC)OC)Br)(C=C)O)C
InChI: InChI=1S/C19H27BrO3/c1-6-19(21)11-7-10-18(2,3)15(19)12-13-8-9-14(22-4)17(23-5)16(13)20/h6,8-9,15,21H,1,7,10-12H2,2-5H3/t15-,19+/m0/s1
SMILES: COC1([C@]2([C@@H]3[C@@H](C=C[C@@H](C3[C@@]1(C(=C2Cl)Cl)Cl)O)O)Cl)OC
InChI: InChI=1S/C13H14Cl4O4/c1-20-13(21-2)11(16)7-5(18)3-4-6(19)8(7)12(13,17)10(15)9(11)14/h3-8,18-19H,1-2H3/t5-,6+,7-,8?,11-,12+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]23COC(=O)[C@@H]2C(=C)[C@H](C[C@@H]3C1)O[C@@]4([C@H]5C[C@@H]([C@H]4Br)[C@@H](C5)OCC6=CC=C(C=C6)OC)OC
InChI: InChI=1S/C35H51BrO7Si/c1-21-28(17-23-15-26(43-44(7,8)33(2,3)4)13-14-34(23)20-41-32(37)30(21)34)42-35(39-6)24-16-27(31(35)36)29(18-24)40-19-22-9-11-25(38-5)12-10-22/h9-12,23-24,26-31H,1,13-20H2,2-8H3/t23-,24-,26+,27+,28-,29+,30-,31+,34-,35+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)C)F)F
InChI: InChI=1S/C21H24F2N2O3S/c1-13-7-9-16(12-18(13)23)24-21(26)15-8-10-17(22)20(11-15)29(27,28)25-19-6-4-3-5-14(19)2/h7-12,14,19,25H,3-6H2,1-2H3,(H,24,26)/t14-,19+/m0/s1
SMILES: C[C@@]12CC[C@@]3(C(C1CC(CC2)(C)C)CCC4[C@]3(CCC5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)C
InChI: InChI=1S/C30H50O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h19-23,31H,8-18H2,1-7H3,(H,32,33)/t19?,20?,21?,22?,23-,26-,27-,28-,29-,30-/m1/s1
SMILES: CC1=C(N2[C@@H]([C@H](C2=O)N3C(=O)C4=CC=CC=C4C3=O)[S@@](=O)C1)C(=O)OC
InChI: InChI=1S/C17H14N2O6S/c1-8-7-26(24)16-12(15(22)19(16)11(8)17(23)25-2)18-13(20)9-5-3-4-6-10(9)14(18)21/h3-6,12,16H,7H2,1-2H3/t12-,16+,26-/m0/s1
SMILES: CO[C@H]1[C@H]2[C@@H]([C@@](O1)(CO2)COS(=O)(=O)C)OCC3=CC=C(C=C3)OC
InChI: InChI=1S/C16H22O8S/c1-19-12-6-4-11(5-7-12)8-21-14-13-15(20-2)24-16(14,9-22-13)10-23-25(3,17)18/h4-7,13-15H,8-10H2,1-3H3/t13-,14+,15-,16-/m1/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C16H15FN2O2/c1-10-8-14(10)15-7-6-13(21-15)9-18-19-16(20)11-2-4-12(17)5-3-11/h2-7,9-10,14H,8H2,1H3,(H,19,20)/b18-9-/t10-,14+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)N4C=C(C=N4)Br
InChI: InChI=1S/C18H16BrN3O3/c19-12-9-20-21(10-12)16(23)11-5-7-13(8-6-11)22-17(24)14-3-1-2-4-15(14)18(22)25/h5-10,14-15H,1-4H2/t14-,15-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C=CC6=CC(=C(C(=C6)OC)O)OC)Cl)CBr)Cl)Cl
InChI: InChI=1S/C32H28BrCl3N2O7/c1-15-4-6-17(12-22(15)34)38-27(40)19-8-7-18-20(25(19)28(38)41)13-31(35)29(42)37(14-33)30(43)32(31,36)21(18)9-5-16-10-23(44-2)26(39)24(11-16)45-3/h4-7,9-12,19-21,25,39H,8,13-14H2,1-3H3/t19-,20+,21-,25-,31+,32-/m0/s1
SMILES: CC1(CC[C@]2([C@H]1O)C[C@@]34C=C[C@@]2([C@@H]5[C@@]36CCN([C@@H]4CC7=C6C(=C(C=C7)O)O5)C)OC)C
InChI: InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17-,20+,21+,23-,24-,25+,26+/m1/s1
SMILES: C[Si](C)(C)[Si](C(=O)[C@H]1CCCC[C@@H]1C(=O)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChI: InChI=1S/C26H64O2Si8/c1-29(2,3)35(30(4,5)6,31(7,8)9)25(27)23-21-19-20-22-24(23)26(28)36(32(10,11)12,33(13,14)15)34(16,17)18/h23-24H,19-22H2,1-18H3/t23-,24-/m0/s1
SMILES: [13CH3]N1[C@H]([C@H](C2=C(C1=O)C(=C3C(=C2)[C@H]([C@@H]4C5=C3C(=C6C(=C5O[13CH2]O4)OC7=C(C6=O)C=CC(=C7O[13CH3])Cl)O)O[13CH3])O)O)O[13CH3]
InChI: InChI=1S/C29H24ClNO11/c1-31-28(36)14-10(19(33)29(31)39-4)7-11-13(20(14)34)15-16-25(22(11)37-2)40-8-41-26(16)27-17(21(15)35)18(32)9-5-6-12(30)24(38-3)23(9)42-27/h5-7,19,22,25,29,33-35H,8H2,1-4H3/t19-,22+,25-,29-/m0/s1/i1+1,2+1,3+1,4+1,8+1
SMILES: CC(C)N(C(C)C)P([C@]1(C[C@]1(C#N)Cl)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F)N(C(C)C)C(C)C
InChI: InChI=1S/C24H33ClF6N3P/c1-14(2)33(15(3)4)35(34(16(5)6)17(7)8)22(12-21(22,25)13-32)20-18(23(26,27)28)10-9-11-19(20)24(29,30)31/h9-11,14-17H,12H2,1-8H3/t21-,22-/m1/s1
SMILES: CCCC[C@](C)(C/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)CCCCCN(C)C)O)O
InChI: InChI=1S/C24H43NO2/c1-5-6-13-24(2,27)14-10-12-21-22-17-19(16-20(22)18-23(21)26)11-8-7-9-15-25(3)4/h10,12,16,20-23,26-27H,5-9,11,13-15,17-18H2,1-4H3/b12-10+/t20-,21+,22-,23+,24+/m0/s1
SMILES: C1=CC2=C3C(=C1)C4=C(C3=CC=C2)C5=CC=CC6=CC=C7C=CC=C4[C@H]7[C@@H]65
InChI: InChI=1S/C26H16/c1-5-15-6-2-10-19-22(15)18(9-1)25-20-11-3-7-16-13-14-17-8-4-12-21(26(19)25)24(17)23(16)20/h1-14,23-24H/t23-,24-/m0/s1
SMILES: C[C@H]1[C@@H]2CC(=O)[C@H]3[C@@]4(CC[C@@H]([C@]4(C[C@@H]([C@]3(C2=CCC1=O)C)OC(=O)C)C)[C@H](C)CCCC(C)C)C
InChI: InChI=1S/C31H48O4/c1-18(2)10-9-11-19(3)23-14-15-29(6)28-26(34)16-22-20(4)25(33)13-12-24(22)31(28,8)27(35-21(5)32)17-30(23,29)7/h12,18-20,22-23,27-28H,9-11,13-17H2,1-8H3/t19-,20+,22+,23-,27+,28+,29+,30-,31-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H](COP(=O)(O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)OCCCN)C)O)[C@@H]([C@H](CO)O)O)O)O)O
InChI: InChI=1S/C20H40NO16P/c1-8-12(24)15(27)16(28)20(35-8)36-11(14(26)10(23)6-22)7-33-38(30,31)37-18-13(25)9(2)34-19(17(18)29)32-5-3-4-21/h8-20,22-29H,3-7,21H2,1-2H3,(H,30,31)/t8-,9-,10-,11+,12-,13-,14+,15+,16+,17+,18+,19-,20-/m0/s1
SMILES: C(CCC[C@H]([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O)CCCC(=O)CCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C24H45NO11/c26-12-15-19(30)21(32)18(25-15)16(29)10-5-3-1-2-4-8-14(28)9-6-7-11-35-24-23(34)22(33)20(31)17(13-27)36-24/h15-27,29-34H,1-13H2/t15-,16-,17-,18-,19-,20-,21-,22+,23-,24-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C=C(N=N3)C4=CC=CC=N4)[NH3+]
InChI: InChI=1S/C13H15N5O2/c14-8-6-19-13-11(7-20-12(8)13)18-5-10(16-17-18)9-3-1-2-4-15-9/h1-5,8,11-13H,6-7,14H2/p+1/t8-,11-,12+,13+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2OC)F)C)OC)OC)O[Si](C)(C)C(C)(C)C)OC
InChI: InChI=1S/C22H43FO8Si/c1-12-14(24-6)16(18(26-8)20(23)28-12)30-21-19(27-9)17(15(25-7)13(2)29-21)31-32(10,11)22(3,4)5/h12-21H,1-11H3/t12-,13-,14-,15-,16+,17+,18+,19+,20+,21-/m0/s1
SMILES: COCO[C@@H]1CC[C@@H](C[C@H]1C2=CC=CC=C2OC)OS(=O)(=O)C
InChI: InChI=1S/C16H24O6S/c1-19-11-21-16-9-8-12(22-23(3,17)18)10-14(16)13-6-4-5-7-15(13)20-2/h4-7,12,14,16H,8-11H2,1-3H3/t12-,14-,16+/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@H]3C(=NC4=CC=CC=C4S2)C5=CC=CC=C5C3=O
InChI: InChI=1S/C24H19NO2S/c1-2-27-16-13-11-15(12-14-16)24-21-22(17-7-3-4-8-18(17)23(21)26)25-19-9-5-6-10-20(19)28-24/h3-14,21,24H,2H2,1H3/t21-,24+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C(=CC(=C5)Br)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)Br)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C34H28Br2N2O6/c1-34-25(31(41)38(33(34)43)19-6-4-3-5-7-19)16-23-21(28(34)24-14-18(36)15-26(44-2)29(24)39)12-13-22-27(23)32(42)37(30(22)40)20-10-8-17(35)9-11-20/h3-12,14-15,22-23,25,27-28,39H,13,16H2,1-2H3/t22-,23+,25-,27-,28+,34+/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)NCC5=CC=CC=C5)CSC6=CC=CC=C6OC
InChI: InChI=1S/C41H42N2O5S/c1-28-37(27-49-38-17-7-6-16-36(38)46-2)47-40(48-39(28)32-20-18-30(26-44)19-21-32)35-15-9-14-34(23-35)33-13-8-12-31(22-33)25-43-41(45)42-24-29-10-4-3-5-11-29/h3-23,28,37,39-40,44H,24-27H2,1-2H3,(H2,42,43,45)/t28-,37+,39+,40+/m1/s1
SMILES: C=C1[C@H]([C@@H](NC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)N3CCOCC3
InChI: InChI=1S/C16H17Cl2N3O3/c1-9-13(15(22)21-4-6-24-7-5-21)14(20-16(23)19-9)10-2-3-11(17)12(18)8-10/h2-3,8,13-14H,1,4-7H2,(H2,19,20,23)/t13-,14+/m1/s1
SMILES: CC1(N([C@@H](CO1)[C@@H]2[C@@H](C[C@@H](N2)C(=O)OC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C21H36N2O7/c1-19(2,3)29-16(24)12-10-13(17(25)27-9)22-15(12)14-11-28-21(7,8)23(14)18(26)30-20(4,5)6/h12-15,22H,10-11H2,1-9H3/t12-,13-,14+,15+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1C[C@@H]2CCN1C[C@@H]2C#CC3=CC=CS3
InChI: InChI=1S/C20H31NOSSi/c1-20(2,3)24(4,5)22-15-18-13-16-10-11-21(18)14-17(16)8-9-19-7-6-12-23-19/h6-7,12,16-18H,10-11,13-15H2,1-5H3/t16-,17-,18+/m0/s1
SMILES: CNC(=O)CNC(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C16H21N3O6/c1-17-12(20)8-18-13(21)9-25-14(22)6-7-19-15(23)10-4-2-3-5-11(10)16(19)24/h2-3,10-11H,4-9H2,1H3,(H,17,20)(H,18,21)/t10-,11+
SMILES: CC(C)C(=O)C1=CC2=C(O1)C[C@@H]3CC[C@H]4[C@@H]5CC[C@@H]([C@]5(CC[C@@H]4[C@]3(C2)C)C)OC(=O)C
InChI: InChI=1S/C27H38O4/c1-15(2)25(29)23-12-17-14-27(5)18(13-22(17)31-23)6-7-19-20-8-9-24(30-16(3)28)26(20,4)11-10-21(19)27/h12,15,18-21,24H,6-11,13-14H2,1-5H3/t18-,19-,20-,21-,24-,26-,27-/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@@H]3[C@@H](CC4)O
InChI: InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13+,16+,17-/m0/s1
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C17H17NO5/c19-16(14-9-1-2-10(7-9)15(14)17(20)21)18-11-3-4-12-13(8-11)23-6-5-22-12/h1-4,8-10,14-15H,5-7H2,(H,18,19)(H,20,21)/t9-,10+,14-,15+/m1/s1
SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16?,20-,22-,23-,24-,27-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2C[C@@H](C[C@@H]2OC1=O)O
InChI: InChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)17-11-9-6-8(14)7-10(9)16-12(11)15/h8-11,14H,6-7H2,1-5H3/t8-,9+,10-,11+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2CCC3C4CCC(=O)[C@]4(CCC3[C@]2(C[C@@H]1[N+]5(CCCC5)C)C)C.[Br-]
InChI: InChI=1S/C26H42NO3.BrH/c1-17(28)30-23-15-18-7-8-19-20-9-10-24(29)25(20,2)12-11-21(19)26(18,3)16-22(23)27(4)13-5-6-14-27;/h18-23H,5-16H2,1-4H3;1H/q+1;/p-1/t18-,19?,20?,21?,22-,23-,25-,26-;/m0./s1
SMILES: C[C@@H]1C=C[C@H]2[C@H](C13SCCCS3)CC[C@H]4[C@@]2(CCC5(C4)OCCO5)C
InChI: InChI=1S/C21H32O2S2/c1-15-4-6-17-18(21(15)24-12-3-13-25-21)7-5-16-14-20(22-10-11-23-20)9-8-19(16,17)2/h4,6,15-18H,3,5,7-14H2,1-2H3/t15-,16-,17+,18-,19+/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H](O[C@H]2O1)CO)OCC3=CC=CC=C3)C
InChI: InChI=1S/C15H20O5/c1-15(2)19-13-12(11(8-16)18-14(13)20-15)17-9-10-6-4-3-5-7-10/h3-7,11-14,16H,8-9H2,1-2H3/t11-,12-,13+,14+/m1/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@@H]3[C@H](C2)OC(=O)[C@H]3CN4CCCCC4
InChI: InChI=1S/C20H31NO2/c1-14-7-6-8-20(2)12-18-15(11-17(14)20)16(19(22)23-18)13-21-9-4-3-5-10-21/h15-18H,1,3-13H2,2H3/t15-,16-,17-,18-,20+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=C(C=C6)OC(F)(F)F)C[C@H](COCC7=CC=CC=C7)O)O)C(=C5)C(=O)C8=CC=CC=C8)O)C
InChI: InChI=1S/C47H54F3NO6/c1-42-20-17-35(52)25-44(42)23-24-46(38(26-44)41(54)34-11-7-4-8-12-34)39(42)18-21-43(2)40(46)19-22-45(43,55)31-51(27-32-13-15-37(16-14-32)57-47(48,49)50)28-36(53)30-56-29-33-9-5-3-6-10-33/h3-16,23-24,26,35-36,39-40,52-53,55H,17-22,25,27-31H2,1-2H3/t35?,36-,39-,40-,42-,43+,44+,45-,46-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC(C)C
InChI: InChI=1S/C23H33N3O3S/c1-16(2)29-14-8-13-26-22(28)18-10-5-7-12-20(18)25-23(26)30-15-21(27)24-19-11-6-4-9-17(19)3/h5,7,10,12,16-17,19H,4,6,8-9,11,13-15H2,1-3H3,(H,24,27)/t17-,19-/m1/s1
SMILES: C[C@@H]([C@H]1[C@@H](COC(O1)(C)C)OC)[C@@H](C2CCCCC2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H44O4Si/c1-16(20-18(23-7)15-24-22(5,6)25-20)19(17-13-11-10-12-14-17)26-27(8,9)21(2,3)4/h16-20H,10-15H2,1-9H3/t16-,18-,19+,20+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C27H18FNO5/c1-14-6-8-15(9-7-14)22-20-21(26(33)29(25(20)32)17-12-10-16(28)11-13-17)27(34-22)23(30)18-4-2-3-5-19(18)24(27)31/h2-13,20-22H,1H3/t20-,21+,22-/m1/s1
SMILES: C1[C@H]([C@@H]1C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3
InChI: InChI=1S/C17H14F3NO/c18-17(19,20)12-7-4-8-13(9-12)21-16(22)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,21,22)/t14-,15+/m0/s1
SMILES: CCN(CC)C(=S)S[C@H]1[C@@H](OC2=C(C1=O)C=C(C=C2Br)Br)C3=CC=CC=C3
InChI: InChI=1S/C20H19Br2NO2S2/c1-3-23(4-2)20(26)27-19-16(24)14-10-13(21)11-15(22)18(14)25-17(19)12-8-6-5-7-9-12/h5-11,17,19H,3-4H2,1-2H3/t17-,19+/m0/s1
SMILES: C[C@H]1[C@H](N(C(=O)N1C)C(=O)[C@H](C)N=C(SC)SC)C2=CC=CC=C2
InChI: InChI=1S/C17H23N3O2S2/c1-11(18-16(23-4)24-5)15(21)20-14(12(2)19(3)17(20)22)13-9-7-6-8-10-13/h6-12,14H,1-5H3/t11-,12-,14-/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCC2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C(=O)C)CCOCCOCCO
InChI: InChI=1S/C31H38N2O7/c1-3-39-31-25(13-15-37-17-18-38-16-14-34)26(27-21-33(22(2)35)28-12-8-7-11-24(27)28)19-29(40-31)30(36)32-20-23-9-5-4-6-10-23/h4-12,19,21,25-26,31,34H,3,13-18,20H2,1-2H3,(H,32,36)/t25-,26-,31+/m0/s1
SMILES: COCOC1=C(C=C(C=C1)[C@H]2[C@@H](C3=C(O2)C(=CC(=C3)/C=C/C(=O)C4=C(C=C(C=C4OCOC)OCOC)OCOC)OCOC)CO)OC
InChI: InChI=1S/C35H42O14/c1-38-17-44-24-14-30(46-19-40-3)33(31(15-24)47-20-41-4)27(37)9-7-22-11-25-26(16-36)34(49-35(25)32(12-22)48-21-42-5)23-8-10-28(45-18-39-2)29(13-23)43-6/h7-15,26,34,36H,16-21H2,1-6H3/b9-7+/t26-,34+/m1/s1
SMILES: CCOP(=O)(C[C@]12[C@H]([C@@H]([C@H](O1)CO)O)OC3=NC(=O)C=CN23)OCC
InChI: InChI=1S/C14H21N2O8P/c1-3-21-25(20,22-4-2)8-14-12(11(19)9(7-17)24-14)23-13-15-10(18)5-6-16(13)14/h5-6,9,11-12,17,19H,3-4,7-8H2,1-2H3/t9-,11-,12+,14-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC=C
InChI: InChI=1S/C50H49N3O13/c1-5-25-51-44(55)39-41-47(58)66-42(33-18-10-7-11-19-33)40(32-16-8-6-9-17-32)53(41)43(34-20-12-13-22-38(34)64-27-26-54)50(39)36-30-31(15-14-21-35(45(56)62-3)46(57)63-4)23-24-37(36)52(48(50)59)49(60)65-29-28-61-2/h5-13,16-20,22-24,30,35,39-43,54H,1,21,25-29H2,2-4H3,(H,51,55)/t39-,40-,41-,42+,43+,50-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSCCN2C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C19H24N2O3S/c1-13-6-2-5-9-16(13)20-17(22)12-25-11-10-21-18(23)14-7-3-4-8-15(14)19(21)24/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3,(H,20,22)/t13-,16-/m0/s1
SMILES: C[C@]12CC[C@H]([C@@]([C@@H]1CCCC2=C)(C)CC3=C(C(=CC(=C3)OC)OC)Cl)COC(=O)CCCCCNC(=O)OC(C)(C)C
InChI: InChI=1S/C34H52ClNO6/c1-23-13-12-14-28-33(23,5)17-16-25(34(28,6)21-24-19-26(39-7)20-27(40-8)30(24)35)22-41-29(37)15-10-9-11-18-36-31(38)42-32(2,3)4/h19-20,25,28H,1,9-18,21-22H2,2-8H3,(H,36,38)/t25-,28+,33+,34+/m0/s1
SMILES: CC(=O)O[C@@H]1COC([C@@H]([C@H]1OC(=O)C)OC(=O)C)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C17H20N2O9/c1-9(20)26-14-8-25-17(16(28-11(3)22)15(14)27-10(2)21)18-12-4-6-13(7-5-12)19(23)24/h4-7,14-18H,8H2,1-3H3/t14-,15+,16-,17?/m1/s1
SMILES: C/C/1=C\CC[C@]([C@H]2CC[C@@](O2)(CC3(C(=C(C(=O)N3CC4=CC=CC=C4)C)CC1)O)C)(C)O
InChI: InChI=1S/C27H37NO4/c1-19-9-8-15-26(4,30)23-14-16-25(3,32-23)18-27(31)22(13-12-19)20(2)24(29)28(27)17-21-10-6-5-7-11-21/h5-7,9-11,23,30-31H,8,12-18H2,1-4H3/b19-9+/t23-,25-,26+,27?/m1/s1
SMILES: CC(C)CN(CC1=CC=CN1C)C(=O)CN(CC(C)C)C(=O)[C@@H]2C[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C26H37N3O2/c1-19(2)15-28(17-22-12-9-13-27(22)5)25(30)18-29(16-20(3)4)26(31)24-14-23(24)21-10-7-6-8-11-21/h6-13,19-20,23-24H,14-18H2,1-5H3/t23-,24+/m0/s1
SMILES: C1CCC(CC1)N([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO)C(=O)CC5=CC=CC=C5
InChI: InChI=1S/C29H34N2O5/c32-16-15-30-29(35)22-18-23(27(34)28-26(22)21-13-7-8-14-24(21)36-28)31(20-11-5-2-6-12-20)25(33)17-19-9-3-1-4-10-19/h1,3-4,7-10,13-14,18,20,23,26-28,32,34H,2,5-6,11-12,15-17H2,(H,30,35)/t23-,26+,27+,28+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)CSC(=O)CC(=O)OC)O
InChI: InChI=1S/C14H18N2O7S/c1-7-5-16(14(21)15-12(7)20)13-9(17)3-8(23-13)6-24-11(19)4-10(18)22-2/h5,8-9,13,17H,3-4,6H2,1-2H3,(H,15,20,21)/t8-,9+,13+/m0/s1
SMILES: C[C@@]12C3=CC=CC=C3CC(=O)N1[C@H]([C@@H](O2)C4=CC=CC=C4)CO
InChI: InChI=1S/C19H19NO3/c1-19-15-10-6-5-9-14(15)11-17(22)20(19)16(12-21)18(23-19)13-7-3-2-4-8-13/h2-10,16,18,21H,11-12H2,1H3/t16-,18-,19+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C
InChI: InChI=1S/C18H24N2O4/c1-12-6-3-4-9-16(12)20-17(22)11-24-18(23)14-7-5-8-15(10-14)19-13(2)21/h5,7-8,10,12,16H,3-4,6,9,11H2,1-2H3,(H,19,21)(H,20,22)/t12-,16-/m1/s1
SMILES: CC1(O[C@H]2[C@H](N(S(=O)(=O)N([C@@H]([C@@H]2O1)COC3=CC=CC=C3)CC(=O)NC4=NC=CS4)CC5=CC(=CC=C5)I)COC6=CC=CC=C6)C
InChI: InChI=1S/C33H35IN4O7S2/c1-33(2)44-30-27(21-42-25-12-5-3-6-13-25)37(19-23-10-9-11-24(34)18-23)47(40,41)38(20-29(39)36-32-35-16-17-46-32)28(31(30)45-33)22-43-26-14-7-4-8-15-26/h3-18,27-28,30-31H,19-22H2,1-2H3,(H,35,36,39)/t27-,28-,30+,31+/m1/s1
SMILES: CC1=CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)NC(=O)C)C(=O)[O-]
InChI: InChI=1S/C17H20N2O4/c1-10-3-8-14(17(22)23)15(9-10)16(21)19-13-6-4-12(5-7-13)18-11(2)20/h3-7,14-15H,8-9H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/p-1/t14-,15-/m1/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=CC(=C5)C=O)OCC=C)CCCCO)CCCCO)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C43H49N3O11/c1-4-22-54-43-39(45(2)42(50)56-31-16-14-30(15-17-31)46(51)52)26-37(44-53-3)35-24-29(11-5-7-20-47)34(13-6-8-21-48)40(41(35)43)36-25-33(18-19-38(36)57-43)55-32-12-9-10-28(23-32)27-49/h4,9-10,12,14-19,23-25,27,29,34,39-41,47-48H,1,5-8,11,13,20-22,26H2,2-3H3/t29-,34+,39-,40+,41+,43+/m0/s1
SMILES: C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@@]43CCSC5=CC=CC=C5
InChI: InChI=1S/C26H30O2S/c1-25-13-12-23-21(22(25)9-10-24(25)28)8-7-18-17-19(27)11-14-26(18,23)15-16-29-20-5-3-2-4-6-20/h2-6,12,17,21-22H,7-11,13-16H2,1H3/t21-,22-,25-,26+/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(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCN(CC8)CC9=CC1=C(C=C9)OCO1
InChI: InChI=1S/C51H50N4O11/c1-61-27-28-63-50(60)54-39-18-9-8-17-38(39)51(49(54)59)42(47(57)53-23-21-52(22-24-53)31-33-19-20-40-41(29-33)65-32-64-40)44-48(58)66-45(35-13-6-3-7-14-35)43(34-11-4-2-5-12-34)55(44)46(51)36-15-10-16-37(30-36)62-26-25-56/h2-20,29-30,42-46,56H,21-28,31-32H2,1H3/t42-,43-,44-,45+,46+,51-/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)NCCC2=CC(=C(C=C2)O)O)O)O)O
InChI: InChI=1S/C28H43NO6/c1-2-3-6-9-21(30)13-14-23-22(25(32)19-26(23)33)10-7-4-5-8-11-28(35)29-17-16-20-12-15-24(31)27(34)18-20/h4,7,12-15,18,21-23,25-26,30-34H,2-3,5-6,8-11,16-17,19H2,1H3,(H,29,35)/b7-4-,14-13+/t21-,22+,23+,25-,26+/m0/s1
SMILES: C[C@@H]1C[C@H]1C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F
InChI: InChI=1S/C16H15FN2O3S/c1-9-6-12(9)15(21)22-7-14(20)19-16-18-13(8-23-16)10-2-4-11(17)5-3-10/h2-5,8-9,12H,6-7H2,1H3,(H,18,19,20)/t9-,12-/m1/s1
SMILES: C[C@]12CCC[C@]1([C@H]3CC[C@H]4CC(CC[C@@]4([C@@H]3CC2)C)(OC)OC)O
InChI: InChI=1S/C21H36O3/c1-18-9-5-10-21(18,22)17-7-6-15-14-20(23-3,24-4)13-12-19(15,2)16(17)8-11-18/h15-17,22H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,21+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C=C(C(=O)[C@@H]2[C@H]1O2)/C=C/C(C)(C)OC
InChI: InChI=1S/C18H30O4Si/c1-7-23(8-2,9-3)22-14-12-13(10-11-18(4,5)20-6)15(19)17-16(14)21-17/h10-12,14,16-17H,7-9H2,1-6H3/b11-10+/t14-,16+,17-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C16H22N2O4/c1-11-7-3-4-8-13(11)17-16(19)12(2)22-15-10-6-5-9-14(15)18(20)21/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,17,19)/t11-,12+,13+/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=CC(=C(C=C6)O)OCC)C7=CC=CC=C7)NC8=CC=C(C=C8)C
InChI: InChI=1S/C43H41N3O6/c1-4-26-13-18-30(19-14-26)45-39(48)32-21-20-31-33(37(32)41(45)50)24-34-40(49)46(44-29-16-11-25(3)12-17-29)42(51)43(34,28-9-7-6-8-10-28)38(31)27-15-22-35(47)36(23-27)52-5-2/h6-20,22-23,32-34,37-38,44,47H,4-5,21,24H2,1-3H3/t32-,33+,34-,37-,38-,43+/m0/s1