EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@@H]1[C@@]([C@@H]2[C@H](C(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N/OCC4=NC=CC5=CC=CC=C54)/CO2)C)C)C)(C)O
InChI: InChI=1S/C44H64N4O11/c1-12-35-44(9,53)40-26(4)36(46-29(7)49)24(2)20-43(8,55-22-31(21-54-40)47-56-23-33-32-16-14-13-15-30(32)17-18-45-33)39(27(5)37(50)28(6)41(52)58-35)59-42-38(51)34(48(10)11)19-25(3)57-42/h13-18,24-28,34-35,38-40,42,51,53H,12,19-23H2,1-11H3/b46-36?,47-31+/t24-,25-,26+,27+,28-,34+,35-,38-,39-,40+,42+,43-,44-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O
InChI: InChI=1S/C25H48O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(26)31-19-20-22(27)23(28)24(29)25(30-2)32-20/h20,22-25,27-29H,3-19H2,1-2H3/t20-,22-,23+,24-,25+/m1/s1
SMILES: CO[C@@H]1CN(C[C@@H]1N)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F
InChI: InChI=1S/C18H20F2N4O4/c1-28-10-6-23(5-9(10)21)16-12(19)14(22)11-15(13(16)20)24(7-2-3-7)4-8(17(11)25)18(26)27/h4,7,9-10H,2-3,5-6,21-22H2,1H3,(H,26,27)/t9-,10+/m0/s1
SMILES: C[C@@H]1[C@@](C(=O)CO1)(C)NC(=O)C(CC2CCCCC2)OCC3=CC=CC=C3
InChI: InChI=1S/C22H31NO4/c1-16-22(2,20(24)15-26-16)23-21(25)19(13-17-9-5-3-6-10-17)27-14-18-11-7-4-8-12-18/h4,7-8,11-12,16-17,19H,3,5-6,9-10,13-15H2,1-2H3,(H,23,25)/t16-,19?,22-/m1/s1
SMILES: CC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCC3=CC=CC=C3)O
InChI: InChI=1S/C21H26O7/c1-12-15(23)9-14(8-7-13-5-3-2-4-6-13)10-16(12)27-21-20(26)19(25)18(24)17(11-22)28-21/h2-6,9-10,17-26H,7-8,11H2,1H3/t17-,18-,19+,20-,21-/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=CN=CC=C6)C7=CC=C(C=C7)CO
InChI: InChI=1S/C45H54N4O5/c1-45(2,3)48-43(52)40-23-22-32-9-5-7-13-39(32)49(40)28-37-25-41(33-16-14-30(29-50)15-17-33)54-44(53-37)34-20-18-31(19-21-34)38-12-6-4-10-35(38)27-47-42(51)36-11-8-24-46-26-36/h4,6,8,10-12,14-21,24,26,32,37,39-41,44,50H,5,7,9,13,22-23,25,27-29H2,1-3H3,(H,47,51)(H,48,52)/t32-,37-,39-,40-,41+,44+/m1/s1
SMILES: C1[C@H](C=C2[C@@H](C1=O)[C@H](N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C32H25ClN2O2/c33-25-17-15-21(16-18-25)24-19-27-30(29(36)20-24)31(22-9-3-1-4-10-22)35(28-14-8-7-13-26(28)34-27)32(37)23-11-5-2-6-12-23/h1-19,24,30-31,34H,20H2/t24-,30-,31+/m0/s1
SMILES: C1C[C@@H](N(C1)C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC=CC=C6I)OC7(O5)CC8=CC=CC=C8C7)C(=O)NCCO
InChI: InChI=1S/C32H34IN3O8/c33-21-9-4-3-8-20(21)17-36-26-29(39)41-23-16-32(26,30(40)35-12-5-10-22(35)28(38)34-11-13-37)27(44-36)25-24(23)42-31(43-25)14-18-6-1-2-7-19(18)15-31/h1-4,6-9,22-27,37H,5,10-17H2,(H,34,38)/t22-,23-,24+,25+,26+,27-,32+/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCCCC4=CC=CC=C4)C
InChI: InChI=1S/C24H33N3O3S/c1-24(2)20(23(29)30-16-10-13-18-11-6-5-7-12-18)27-21(28)19(22(27)31-24)25-17-26-14-8-3-4-9-15-26/h5-7,11-12,17,19-20,22H,3-4,8-10,13-16H2,1-2H3/t19-,20+,22-/m1/s1
SMILES: C[C@H]1/C(=C\C2=CC=CC=C2OCC3=CC=CC=C3)/C(=O)C=C4[C@]1([C@H](CCC4)O)C
InChI: InChI=1S/C26H28O3/c1-18-22(23(27)16-21-12-8-14-25(28)26(18,21)2)15-20-11-6-7-13-24(20)29-17-19-9-4-3-5-10-19/h3-7,9-11,13,15-16,18,25,28H,8,12,14,17H2,1-2H3/b22-15+/t18-,25-,26-/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H](CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC.C(C(C(=O)O)O)(C(=O)O)O.O
InChI: InChI=1S/C19H23NO3.C4H6O6.H2O/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20;5-1(3(7)8)2(6)4(9)10;/h4-6,13,15,18H,7-10H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10);1H2/t13-,15+,18+,19+;;/m1../s1
SMILES: CC1(O[C@H]2C[C@@H]([C@]([C@](C2)(O1)CC3=CC(=CC(=O)O3)OC)(CC(=O)C4=CC=CC=C4)OCOCCOC)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C34H50O10Si/c1-31(2,3)45(8,9)43-29-18-27-21-33(44-32(4,5)42-27,20-26-17-25(38-7)19-30(36)41-26)34(29,40-23-39-16-15-37-6)22-28(35)24-13-11-10-12-14-24/h10-14,17,19,27,29H,15-16,18,20-23H2,1-9H3/t27-,29-,33-,34-/m0/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)(C(=O)CF)O
InChI: InChI=1S/C22H31FO4/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h9,12,14-15,17,19,25,27H,4-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
SMILES: CC1=C2C(=CC=C1)NC(=N2)[C@H]3CC[C@@H]4[C@@]3(CCC5C4CC[C@@H]6[C@@]5(C=CC(=O)N6C)C)C
InChI: InChI=1S/C27H35N3O/c1-16-6-5-7-21-24(16)29-25(28-21)20-10-9-18-17-8-11-22-27(3,15-13-23(31)30(22)4)19(17)12-14-26(18,20)2/h5-7,13,15,17-20,22H,8-12,14H2,1-4H3,(H,28,29)/t17?,18-,19?,20+,22+,26-,27+/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3N2)C
InChI: InChI=1S/C18H25N3O2/c1-11-7-8-13(9-12(11)2)19-17(22)10-16-18(23)21-15-6-4-3-5-14(15)20-16/h7-9,14-16,20H,3-6,10H2,1-2H3,(H,19,22)(H,21,23)/t14-,15-,16-/m0/s1
SMILES: C1CC[C@H]2C(=NN([C@]2(C(F)(F)F)O)C(=O)C3=CC=CC=C3)CC1
InChI: InChI=1S/C16H17F3N2O2/c17-16(18,19)15(23)12-9-5-2-6-10-13(12)20-21(15)14(22)11-7-3-1-4-8-11/h1,3-4,7-8,12,23H,2,5-6,9-10H2/t12-,15-/m0/s1
SMILES: C1CC[C@H]2C/C(=N\NC(=O)C3=CC4=CC=CC=C4C=C3O)/CC[C@@H]2C1
InChI: InChI=1S/C21H24N2O2/c24-20-13-17-8-4-3-7-16(17)12-19(20)21(25)23-22-18-10-9-14-5-1-2-6-15(14)11-18/h3-4,7-8,12-15,24H,1-2,5-6,9-11H2,(H,23,25)/b22-18-/t14-,15-/m0/s1
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)O)O
InChI: InChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C(=C(C(=O)NC3=O)C#C[Si](C)(C)C)I)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C23H37IN2O6Si2/c1-22(2,3)34(9,10)29-13-15-16-17(32-23(4,5)31-16)20(30-15)26-18(24)14(11-12-33(6,7)8)19(27)25-21(26)28/h15-17,20H,13H2,1-10H3,(H,25,27,28)/t15-,16-,17-,20-/m1/s1
SMILES: CC(C)[C@@H](C(=O)C1CC1)NC(=O)N[C@@H]2CCCCCCCCC[C@@H](NC(=O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C2=O)C(=O)C(=O)NCC=C
InChI: InChI=1S/C34H53N5O6/c1-6-18-35-31(43)29(41)23-14-12-10-8-7-9-11-13-15-24(37-33(45)38-26(20(2)3)28(40)21-16-17-21)32(44)39-19-22-25(34(22,4)5)27(39)30(42)36-23/h6,20-27H,1,7-19H2,2-5H3,(H,35,43)(H,36,42)(H2,37,38,45)/t22-,23+,24+,25-,26-,27-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C21H27NO8/c1-12(2)17-6-5-13(3)7-18(17)30-19(23)11-29-21(25)15-8-14(20(24)28-4)9-16(10-15)22(26)27/h8-10,12-13,17-18H,5-7,11H2,1-4H3/t13-,17+,18-/m1/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C)N(C)C)/C
InChI: InChI=1S/C42H57N3O13/c1-20-14-13-15-21(2)41(53)43-27-18-29(55-19-30(47)45(11)44(9)10)31-32(37(27)51)36(50)25(6)39-33(31)40(52)42(8,58-39)56-17-16-28(54-12)22(3)38(57-26(7)46)24(5)35(49)23(4)34(20)48/h13-18,20,22-24,28,34-35,38,48-51H,19H2,1-12H3,(H,43,53)/b14-13+,17-16+,21-15-/t20-,22+,23+,24+,28-,34-,35+,38+,42-/m0/s1
SMILES: C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CO)C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C(=O)N2
InChI: InChI=1S/C20H16ClN3O4/c21-10-5-7-11(8-6-10)24-17(26)15-14(9-25)23-20(16(15)18(24)27)12-3-1-2-4-13(12)22-19(20)28/h1-8,14-16,23,25H,9H2,(H,22,28)/p+1/t14-,15+,16-,20-/m0/s1
SMILES: C[C@@H]1CC[C@H](/C(=C/[Si](C)(C)C)/[C@H]1CCC2(OCC(CO2)(C)C)C)CC(=O)NCCN(C)C
InChI: InChI=1S/C26H50N2O3Si/c1-20-10-11-21(16-24(29)27-14-15-28(5)6)23(17-32(7,8)9)22(20)12-13-26(4)30-18-25(2,3)19-31-26/h17,20-22H,10-16,18-19H2,1-9H3,(H,27,29)/b23-17-/t20-,21+,22+/m1/s1
SMILES: C[C@H]1CCC(=O)[C@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2OC(=O)C3=CC=NC=C3)Cl)C)C=O)O)/C)C
InChI: InChI=1S/C29H32ClNO5/c1-17(10-13-29(5)18(2)7-9-24(33)20(29)4)6-8-22-26(34)23(16-32)19(3)25(30)27(22)36-28(35)21-11-14-31-15-12-21/h6,10-16,18,20,34H,7-9H2,1-5H3/b13-10+,17-6+/t18-,20+,29-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(C[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)C[C@@]4(CC[C@@H]5[C@@]4(CC[C@H]6[C@]57C=C[C@@]8([C@@]6(CCC(C8)O)C)C=C7C(=O)C9=CC=CO9)C)O)C(C)C
InChI: InChI=1S/C48H69NO6/c1-29(2)34-13-10-30(3)23-38(34)55-42(52)49(27-31-11-12-32-24-35(31)43(32,4)5)28-47(53)19-16-40-45(47,7)18-15-39-44(6)17-14-33(50)25-46(44)20-21-48(39,40)36(26-46)41(51)37-9-8-22-54-37/h8-9,20-22,26,29-35,38-40,50,53H,10-19,23-25,27-28H2,1-7H3/t30-,31-,32-,33?,34+,35-,38-,39+,40+,44+,45-,46-,47+,48+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F.CN1C2CC(CC1[C@@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4
InChI: InChI=1S/C17H14F3N3O2S.C17H21NO4/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25;1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-10H,1H3,(H2,21,24,25);2-6,11-16,19H,7-9H2,1H3/t;11?,12-,13?,14?,15-,16-/m.1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)C[NH+](C)CC(=O)NC2=CC(=CC=C2)OC
InChI: InChI=1S/C20H31N3O3/c1-14-7-5-10-18(15(14)2)22-20(25)13-23(3)12-19(24)21-16-8-6-9-17(11-16)26-4/h6,8-9,11,14-15,18H,5,7,10,12-13H2,1-4H3,(H,21,24)(H,22,25)/p+1/t14-,15+,18+/m1/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@H]2[C@@H](C(=O)NC(=C2C#N)O)[N+]3=CC=CC=C3
InChI: InChI=1S/C21H22N4O2/c1-3-24(4-2)16-10-8-15(9-11-16)18-17(14-22)20(26)23-21(27)19(18)25-12-6-5-7-13-25/h5-13,18-19H,3-4H2,1-2H3,(H-,23,26,27)/p+1/t18-,19+/m1/s1
SMILES: C[C@@H]1[C@@H](C(=O)N(CN1C(=O)OCC2=CC=CC=C2)[C@@H](C)C3=CC=CC=C3)Cl
InChI: InChI=1S/C21H23ClN2O3/c1-15(18-11-7-4-8-12-18)23-14-24(16(2)19(22)20(23)25)21(26)27-13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16+,19-/m0/s1
SMILES: C=C1C[C@@H](N2C(=NC(=N2)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)N1)C5=CC=CC=C5
InChI: InChI=1S/C20H19N5O2/c1-12-11-16(13-7-3-2-4-8-13)25-19(21-12)22-20(23-25)24-17(26)14-9-5-6-10-15(14)18(24)27/h2-8,14-16H,1,9-11H2,(H,21,22,23)/t14-,15+,16-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)I)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H35IO17/c1-10(28)35-8-17-20(21(38-13(4)31)23(25(27)42-17)40-15(6)33)44-26-24(41-16(7)34)22(39-14(5)32)19(37-12(3)30)18(43-26)9-36-11(2)29/h17-26H,8-9H2,1-7H3/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+/m1/s1
SMILES: C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C(=O)C(=CC3=O)OC)O)CCC=C2C)C
InChI: InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-16(23)11-17(26-5)20(25)19(15)24/h7,11,14,18,24H,6,8-10,12H2,1-5H3/t14-,18+,21+,22+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2[C@H]([C@@H](C2=O)OC3=C(C=C(C=C3)Cl)C)C4=CC(=C(C=C4)OC)OC)C
InChI: InChI=1S/C26H26ClNO4/c1-15-6-9-20(13-16(15)2)28-24(18-7-10-22(30-4)23(14-18)31-5)25(26(28)29)32-21-11-8-19(27)12-17(21)3/h6-14,24-25H,1-5H3/t24-,25-/m0/s1
SMILES: CCCC[C@@]1(C[C@@H](CC(=C1C)/C=C\C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O)O
InChI: InChI=1S/C31H52O3/c1-7-8-19-31(34)21-26(32)20-25(23(31)3)14-13-24-12-10-18-30(6)27(15-16-28(24)30)22(2)11-9-17-29(4,5)33/h12-14,22,26-28,32-34H,7-11,15-21H2,1-6H3/b14-13-/t22-,26-,27-,28+,30-,31+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N(CC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C29H36N2O6S2/c1-22-9-7-8-12-27(22)31(21-24-13-18-28(36-2)29(19-24)37-3)39(34,35)26-16-14-25(15-17-26)38(32,33)30-20-23-10-5-4-6-11-23/h4-6,10-11,13-19,22,27,30H,7-9,12,20-21H2,1-3H3/t22-,27-/m0/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@H]1O)C)O)C)O)C)OC)C)C)O)N)/C
InChI: InChI=1S/C35H44N2O11/c1-14-10-9-11-15(2)34(45)37-25-24(36)30(42)21-22(31(25)43)29(41)19(6)32-23(21)33(44)35(7,48-32)47-13-12-20(46-8)16(3)27(39)18(5)28(40)17(4)26(14)38/h9-14,16-18,20,26-28,38-41H,36H2,1-8H3,(H,37,45)/b10-9+,13-12+,15-11-/t14-,16-,17+,18+,20-,26-,27+,28+,35-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4O[C@@H]([C@H]([C@@H](O4)C5=CC=C(C=C5)CO)C6=CC=CC=C6)CSC7=CC=CC=C7N
InChI: InChI=1S/C46H45N3O6S2/c1-31-19-25-38(26-20-31)57(52,53)49-40(27-32-11-4-2-5-12-32)45(51)48-37-16-10-15-36(28-37)46-54-41(30-56-42-18-9-8-17-39(42)47)43(34-13-6-3-7-14-34)44(55-46)35-23-21-33(29-50)22-24-35/h2-26,28,40-41,43-44,46,49-50H,27,29-30,47H2,1H3,(H,48,51)/t40-,41-,43-,44+,46?/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC=CC=C4O)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)CCCC(=O)O
InChI: InChI=1S/C38H33NO7/c40-30-15-8-7-14-25(30)34-24-17-18-26-33(37(46)39(36(26)45)19-9-16-32(42)43)28(24)20-29-35(44)27(22-10-3-1-4-11-22)21-31(41)38(29,34)23-12-5-2-6-13-23/h1-8,10-15,17,21,26,28-29,33-34,40H,9,16,18-20H2,(H,42,43)/t26-,28+,29-,33-,34+,38-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@H]1N=[N+]=[N-])O
InChI: InChI=1S/C15H18N4O5/c1-8(20)17-11-12(21)13-10(23-14(11)18-19-16)7-22-15(24-13)9-5-3-2-4-6-9/h2-6,10-15,21H,7H2,1H3,(H,17,20)/t10-,11-,12-,13-,14-,15-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)CN=[N+]=[N-])OS(=O)(=O)C
InChI: InChI=1S/C18H31N5O7SSi/c1-11-9-23(17(25)21-15(11)24)16-14(30-31(5,26)27)12(8-20-22-19)13(29-16)10-28-32(6,7)18(2,3)4/h9,12-14,16H,8,10H2,1-7H3,(H,21,24,25)/t12-,13-,14-,16-/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)NCC6=CC=CC=C6)C
InChI: InChI=1S/C38H37NO3/c1-36(2)41-34(35(42-36)38(40,32-24-14-6-15-25-32)33-26-16-7-17-27-33)37(30-20-10-4-11-21-30,31-22-12-5-13-23-31)39-28-29-18-8-3-9-19-29/h3-27,34-35,39-40H,28H2,1-2H3/t34-,35-/m1/s1
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)/C=N\N3C(=O)[C@H]4[C@@H]5CC[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C22H19N3O6/c1-30-17-8-6-14(25(28)29)10-16(17)18-9-7-15(31-18)11-23-24-21(26)19-12-2-3-13(5-4-12)20(19)22(24)27/h2-3,6-13,19-20H,4-5H2,1H3/b23-11-/t12-,13+,19-,20-/m0/s1
SMILES: CCOC(=O)NC(=O)CN1C(=O)C(=O)N(C1=O)[C@@H]2CCCC[C@@H]2C
InChI: InChI=1S/C15H21N3O6/c1-3-24-14(22)16-11(19)8-17-12(20)13(21)18(15(17)23)10-7-5-4-6-9(10)2/h9-10H,3-8H2,1-2H3,(H,16,19,22)/t9-,10+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC/C(=C/3\[C@H]4CC[C@@H]([C@@H]3O)[C@@]4(COCOC)C(=C)COCOC)/C(=O)OC
InChI: InChI=1S/C36H50O8Si/c1-26(22-42-24-39-5)36(23-43-25-40-6)30-18-19-31(36)33(37)32(30)29(34(38)41-7)20-21-44-45(35(2,3)4,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-17,30-31,33,37H,1,18-25H2,2-7H3/b32-29-/t30-,31+,33+,36+/m1/s1
SMILES: CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4)O)O
InChI: InChI=1S/C19H23N5O3S/c1-2-28-9-13-15(25)16(26)19(27-13)24-11-23-14-17(21-10-22-18(14)24)20-8-12-6-4-3-5-7-12/h3-7,10-11,13,15-16,19,25-26H,2,8-9H2,1H3,(H,20,21,22)/t13-,15-,16-,19-/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@@H]2CC3=CC[C@@H]4[C@H]([C@H]3O2)C(=O)OC4=O)COCC5=CC=CC=C5)C
InChI: InChI=1S/C23H26O7/c1-23(2)29-17(12-26-11-13-6-4-3-5-7-13)20(30-23)16-10-14-8-9-15-18(19(14)27-16)22(25)28-21(15)24/h3-8,15-20H,9-12H2,1-2H3/t15-,16+,17+,18-,19+,20+/m1/s1
SMILES: CCCC(C(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O
InChI: InChI=1S/C28H48N7O18P3S/c1-5-6-16(36)15(2)27(41)57-10-9-30-18(37)7-8-31-25(40)22(39)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h13-17,20-22,26,36,38-39H,5-12H2,1-4H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t15?,16?,17-,20-,21-,22+,26-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=CC2=CC=CC=C21)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H22N2O5/c1-14(25-21(27)17-10-4-5-11-18(17)22(25)28)23(29)30-13-20(26)24-19-12-6-8-15-7-2-3-9-16(15)19/h2-9,12,14,17-18H,10-11,13H2,1H3,(H,24,26)/t14-,17-,18-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCCP(=O)(C[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C26H53O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(30,31)22-24-26(29)25(28)23(21-27)32-24/h23-29H,2-22H2,1H3,(H,30,31)/t23-,24+,25-,26-/m1/s1
SMILES: CC(=C)C[C@H]1[C@@H]2[C@H](O[C@@H]1[C@@H](CC=C)OCC3=CC=CC=C3)OC(O2)(C)C
InChI: InChI=1S/C22H30O4/c1-6-10-18(23-14-16-11-8-7-9-12-16)19-17(13-15(2)3)20-21(24-19)26-22(4,5)25-20/h6-9,11-12,17-21H,1-2,10,13-14H2,3-5H3/t17-,18-,19+,20-,21-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C([C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N(CN(N3C(=O)O2)CCCN5C=C(N=C5)C6=CC=CC=C6)CC)C)C
InChI: InChI=1S/C45H70N6O9/c1-12-35-45(9)39-29(5)36(49(13-2)26-50(51(39)43(55)60-45)21-17-20-48-24-33(46-25-48)32-18-15-14-16-19-32)27(3)23-44(8,56)40(30(6)37(52)31(7)41(54)58-35)59-42-38(53)34(47(10)11)22-28(4)57-42/h14-16,18-19,24-25,27-31,34-36,38-40,42,53,56H,12-13,17,20-23,26H2,1-11H3/t27-,28-,29+,30+,31-,34+,35-,36?,38-,39-,40-,42+,44+,45-/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5
InChI: InChI=1S/C24H35N3O2/c28-24(27-9-7-20-3-1-2-4-22(20)17-27)18-26-12-10-25(11-13-26)16-19-5-6-23-21(15-19)8-14-29-23/h5-6,15,20,22H,1-4,7-14,16-18H2/p+2/t20-,22+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C4CCC4
InChI: InChI=1S/C21H28N2O5/c1-12(2)13-6-8-15(9-7-13)22-21(25)28-17-11-27-18-16(10-26-19(17)18)23-20(24)14-4-3-5-14/h6-9,12,14,16-19H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24)/t16-,17+,18+,19+/m0/s1
SMILES: [3H]C1=CC(=CC2=C1NC3=C2CCN4C[C@@H]5C[C@@H]([C@H]4[C@H]3C5)CC)OC
InChI: InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1/i5T
SMILES: CC(=O)N1[C@@H]2[C@H]([C@H](CO[C@@H]2NC3=NC(=NC(=C31)N)SC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H21N5O6S/c1-6(22)21-10-12(27-8(3)24)9(26-7(2)23)5-25-15(10)19-14-11(21)13(17)18-16(20-14)28-4/h9-10,12,15H,5H2,1-4H3,(H3,17,18,19,20)/t9-,10+,12-,15-/m0/s1
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2CCC[C@H]3[C@@H]2CCCC3)OCC#N
InChI: InChI=1S/C23H28N2O5/c1-28-21-15-17(8-10-20(21)29-14-12-24)9-11-23(27)30-16-22(26)25-13-4-6-18-5-2-3-7-19(18)25/h8-11,15,18-19H,2-7,13-14,16H2,1H3/b11-9+/t18-,19-/m0/s1
SMILES: COCO[C@@H]1[C@@H]([C@H](O[C@@H]([C@H]1OCOC)OC)CBr)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H25BrO8/c1-21-10-24-15-14(27-17(20)12-7-5-4-6-8-12)13(9-19)26-18(23-3)16(15)25-11-22-2/h4-8,13-16,18H,9-11H2,1-3H3/t13-,14-,15-,16+,18+/m1/s1
SMILES: C1C=C(C[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)N=NC4=CC=CC=C4)Cl
InChI: InChI=1S/C20H16ClN3O2/c21-13-6-11-17-18(12-13)20(26)24(19(17)25)16-9-7-15(8-10-16)23-22-14-4-2-1-3-5-14/h1-10,17-18H,11-12H2/t17-,18-/m1/s1
SMILES: C1[C@@H]2[C@@H]3[C@@H]4[C@H]1[C@@H]5[C@H]2[C@@H]([C@H]3[C@@]5([C@@H]4Br)O)Br
InChI: InChI=1S/C11H12Br2O/c12-9-6-2-1-3-5-4(2)8(9)11(14,7(3)6)10(5)13/h2-10,14H,1H2/t2-,3+,4-,5+,6+,7-,8+,9+,10-,11+/m1/s1
SMILES: C[C@H](CC[C@@H](CO)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@@H]4C5)C)OC)C
InChI: InChI=1S/C29H50O2/c1-18(2)20(17-30)8-7-19(3)23-9-10-24-22-15-26(31-6)29-16-21(29)11-14-28(29,5)25(22)12-13-27(23,24)4/h18-26,30H,7-17H2,1-6H3/t19-,20+,21-,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1
SMILES: CC1O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H48O23/c1-12(36)44-10-21-24(46-13(2)37)27(49-16(5)40)30(51-18(7)42)34(56-21)57-28-25(47-14(3)38)22(55-33-31(28)52-19(8)53-33)11-45-32-29(50-17(6)41)26(48-15(4)39)23(43)20(9-35)54-32/h19-35,43H,9-11H2,1-8H3/t19?,20-,21-,22-,23-,24-,25-,26+,27+,28+,29-,30-,31-,32-,33+,34+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CCC(=O)O
InChI: InChI=1S/C35H28BrClN2O7/c36-19-9-12-27(40)25(15-19)30-22-10-11-23-29(33(45)38(31(23)43)14-13-28(41)42)24(22)17-26-32(44)39(21-8-4-7-20(37)16-21)34(46)35(26,30)18-5-2-1-3-6-18/h1-10,12,15-16,23-24,26,29-30,40H,11,13-14,17H2,(H,41,42)/t23-,24+,26-,29-,30+,35+/m0/s1
SMILES: C1=CC2=C3C(=C1)C=CC4=C5C=C(C=CC5=CC(=C43)C=C2)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
InChI: InChI=1S/C26H20O7/c27-21-22(28)24(25(30)31)33-26(23(21)29)32-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21-24,26-29H,(H,30,31)/t21-,22-,23+,24-,26?/m0/s1
SMILES: C[C@H](/C=C/C(C)C(C)C)[C@H]1C[C@@H]2[C@]3([C@@]1(CC[C@H]4C3=C[C@@H](C5=C[C@H](CC[C@]45C)O)O)C)O2
InChI: InChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)21-15-25-28(31-25)22-14-24(30)23-13-19(29)9-11-26(23,5)20(22)10-12-27(21,28)6/h7-8,13-14,16-21,24-25,29-30H,9-12,15H2,1-6H3/b8-7+/t17?,18-,19+,20+,21-,24+,25-,26-,27-,28-/m1/s1
SMILES: CC1=C2C(=CC=C1)COP(=O)(O2)OC[C@H]3[C@@H](CC[C@@H]3O)N4C=C(C(=O)NC4=O)C
InChI: InChI=1S/C19H23N2O7P/c1-11-4-3-5-13-9-26-29(25,28-17(11)13)27-10-14-15(6-7-16(14)22)21-8-12(2)18(23)20-19(21)24/h3-5,8,14-16,22H,6-7,9-10H2,1-2H3,(H,20,23,24)/t14-,15+,16-,29?/m0/s1
SMILES: CC1=CC(=NC(=N1)NC2=[NH+][C@@H]3CCCC[C@@H]3N2C(=O)NC4=CC=CC=C4)C
InChI: InChI=1S/C20H24N6O/c1-13-12-14(2)22-18(21-13)25-19-24-16-10-6-7-11-17(16)26(19)20(27)23-15-8-4-3-5-9-15/h3-5,8-9,12,16-17H,6-7,10-11H2,1-2H3,(H,23,27)(H,21,22,24,25)/p+1/t16-,17+/m1/s1
SMILES: C[C@]12C[C@@H](C3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)O)C5=CC=C(C=C5)C#CCNC(=O)CCl
InChI: InChI=1S/C29H32ClNO3/c1-29-16-24(19-6-4-18(5-7-19)3-2-14-31-27(34)17-30)28-22-11-9-21(32)15-20(22)8-10-23(28)25(29)12-13-26(29)33/h4-7,9,11,15,23-26,28,32-33H,8,10,12-14,16-17H2,1H3,(H,31,34)/t23?,24-,25?,26+,28?,29+/m1/s1
SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)[C@@H]3[C@@H]([C@](NC(=O)N3)(C(F)(F)F)O)C(=O)C4=CC=C(C=C4)Cl)Cl
InChI: InChI=1S/C22H15Cl2F3N2O4/c23-12-7-5-11(6-8-12)19(30)17-18(28-20(31)29-21(17,32)22(25,26)27)16-10-9-15(33-16)13-3-1-2-4-14(13)24/h1-10,17-18,32H,(H2,28,29,31)/t17-,18-,21-/m1/s1
SMILES: C=CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O
InChI: InChI=1S/C11H19NO6/c1-2-3-4-7(14)12-8-10(16)9(15)6(5-13)18-11(8)17/h2,6,8-11,13,15-17H,1,3-5H2,(H,12,14)/t6-,8-,9-,10-,11+/m1/s1
SMILES: CCCCCCCCCCCCO[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OCCCCCCCCCCOCCCCCC/C=C\CCCCCC)NC=O)C(=O)O)NC(=O)CC(=O)CCCCCCCCCCC
InChI: InChI=1S/C64H119N2O17P/c1-4-7-10-13-16-19-21-22-24-29-34-39-44-77-45-40-35-30-26-27-32-37-42-47-79-61-57(65-51-68)64(82-53(49-67)59(61)83-84(74,75)76)80-50-54-58(71)60(78-46-41-36-31-25-20-17-14-11-8-5-2)56(62(81-54)63(72)73)66-55(70)48-52(69)43-38-33-28-23-18-15-12-9-6-3/h19,21,51,53-54,56-62,64,67,71H,4-18,20,22-50H2,1-3H3,(H,65,68)(H,66,70)(H,72,73)(H2,74,75,76)/b21-19-/t53-,54-,56-,57-,58-,59-,60-,61-,62+,64-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2CC(=O)NCC(=O)NC3=CC=CC=C3Br
InChI: InChI=1S/C19H26BrN3O2/c20-15-8-2-3-9-16(15)22-18(24)12-21-19(25)13-23-11-5-7-14-6-1-4-10-17(14)23/h2-3,8-9,14,17H,1,4-7,10-13H2,(H,21,25)(H,22,24)/t14-,17+/m1/s1
SMILES: C1=CC=C2C(=C1)[C@H]([C@@H](C3=C2C=C4C(=C3)C5=CC=CC=C5S4)N=[N+]=[N-])O
InChI: InChI=1S/C20H13N3OS/c21-23-22-19-16-9-15-12-6-3-4-8-17(12)25-18(15)10-14(16)11-5-1-2-7-13(11)20(19)24/h1-10,19-20,24H/t19-,20-/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C15H15Cl2NO2/c1-8-2-4-10-11(6-8)15(20)18(14(10)19)13-5-3-9(16)7-12(13)17/h3,5,7-8,10-11H,2,4,6H2,1H3/t8-,10-,11+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@]2(C[C@@H]3[C@H]([C@H]2OC(=O)C4=CC=C(C=C4)Cl)[C@]1([C@@H]5[C@@H]([C@H]6[C@]37C5N(C[C@@]6([C@@H](C[C@@H]7OC)O)COC)C)OC)OC(=O)C)O)OC
InChI: InChI=1S/C35H46ClNO12/c1-16(38)47-30-29(46-7)33(42)13-20-23(28(33)48-31(41)18-8-10-19(36)11-9-18)35(30,49-17(2)39)24-25(45-6)26-32(15-43-4)14-37(3)27(24)34(20,26)22(44-5)12-21(32)40/h8-11,20-30,40,42H,12-15H2,1-7H3/t20-,21-,22+,23-,24-,25+,26-,27?,28-,29+,30+,32+,33-,34+,35-/m1/s1
SMILES: C/C/1=C\CC[C@@]2([C@H](O2)C[C@@H]3[C@H](C/C(=C/CC1)/C)OC(=O)[C@]34CO4)C
InChI: InChI=1S/C20H28O4/c1-13-6-4-7-14(2)10-16-15(20(12-22-20)18(21)23-16)11-17-19(3,24-17)9-5-8-13/h7-8,15-17H,4-6,9-12H2,1-3H3/b13-8+,14-7+/t15-,16+,17-,19-,20+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3CCCC[C@H]3N(P2N([C@H](C)C4=CC=CC=C4)[C@H](C)C5=CC=CC=C5)S(=O)(=O)C6=CC=C(C=C6)C
InChI: InChI=1S/C36H42N3O4PS2/c1-27-19-23-33(24-20-27)45(40,41)38-35-17-11-12-18-36(35)39(46(42,43)34-25-21-28(2)22-26-34)44(38)37(29(3)31-13-7-5-8-14-31)30(4)32-15-9-6-10-16-32/h5-10,13-16,19-26,29-30,35-36H,11-12,17-18H2,1-4H3/t29-,30-,35-,36-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C18H26N2O5/c1-11(2)14-7-5-12(3)9-16(14)25-17(21)10-24-15-8-6-13(4)19-18(15)20(22)23/h6,8,11-12,14,16H,5,7,9-10H2,1-4H3/t12-,14+,16-/m0/s1
SMILES: CC(C)OC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3OC
InChI: InChI=1S/C20H27NO5/c1-12(2)25-20(23)18-15-10-9-13(21(15)3)11-17(18)26-19(22)14-7-5-6-8-16(14)24-4/h5-8,12-13,15,17-18H,9-11H2,1-4H3/t13-,15+,17-,18+/m0/s1