EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)C[C@H]1C(=O)OC[C@H]([C@H]([C@@H]([C@@H]([C@@H]2N[C@H](C(=O)N2CC(=O)NCC(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)O)O)O)O
InChI: InChI=1S/C34H45N5O11/c1-18(2)12-24-34(49)50-17-25(41)28(44)29(45)30(46)31-37-23(14-20-8-10-21(40)11-9-20)33(48)39(31)16-27(43)35-15-26(42)36-22(32(47)38-24)13-19-6-4-3-5-7-19/h3-11,18,22-25,28-31,37,40-41,44-46H,12-17H2,1-2H3,(H,35,43)(H,36,42)(H,38,47)/t22-,23-,24-,25+,28+,29-,30-,31+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C5C(=CC(=C4C3=O)O)C[C@@](CC5=O)(C)O)O)O)O
InChI: InChI=1S/C25H24O9/c1-9-21(29)14(27)6-16(34-9)11-3-4-12-18(22(11)30)24(32)19-13(26)5-10-7-25(2,33)8-15(28)17(10)20(19)23(12)31/h3-5,9,14,16,21,26-27,29-30,33H,6-8H2,1-2H3/t9-,14-,16-,21-,25-/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@@H](C3=C2C=C4C=C[C@@](C4=C3)([C@H]5COC(=O)O5)O)OC(=O)C6=C(C=CC7=C6C=C(C=C7C)OC)O)O)NC)O)O
InChI: InChI=1S/C35H37NO13/c1-14-9-17(44-4)11-19-18(14)5-6-23(37)25(19)32(41)48-30-21-12-22-16(7-8-35(22,43)24-13-45-34(42)47-24)10-20(21)31(29(30)40)49-33-26(36-3)28(39)27(38)15(2)46-33/h5-12,15,24,26-31,33,36-40,43H,13H2,1-4H3/t15-,24-,26-,27+,28-,29-,30-,31-,33-,35-/m1/s1
SMILES: COC(=O)N[C@@H]1CS[C@@H]([C@@H]1NC(=O)OC)CCCCC(=O)[O-]
InChI: InChI=1S/C13H22N2O6S/c1-20-12(18)14-8-7-22-9(5-3-4-6-10(16)17)11(8)15-13(19)21-2/h8-9,11H,3-7H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)/p-1/t8-,9-,11-/m1/s1
SMILES: COC1=CC(=CC2=C1N[C@H]([C@H]3[C@@H]2C=CC3)C4=C(C(=CC=C4)Cl)Cl)[N+](=O)[O-]
InChI: InChI=1S/C19H16Cl2N2O3/c1-26-16-9-10(23(24)25)8-14-11-4-2-5-12(11)18(22-19(14)16)13-6-3-7-15(20)17(13)21/h2-4,6-9,11-12,18,22H,5H2,1H3/t11-,12+,18+/m0/s1
SMILES: CSC1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC3=CC=CC=C3C=C2)O)OCC4=CC=CC=C4)NC(=O)CN=C(N)N
InChI: InChI=1S/C28H34N4O5S/c1-38-27-24(32-23(33)14-31-28(29)30)26(36-16-18-7-3-2-4-8-18)25(34)22(37-27)17-35-15-19-11-12-20-9-5-6-10-21(20)13-19/h2-13,22,24-27,34H,14-17H2,1H3,(H,32,33)(H4,29,30,31)/t22-,24-,25-,26-,27?/m1/s1
SMILES: CCOC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC(=C2)C(=O)C3[C@@H]([C@@H]3C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C33H29NO4/c1-2-38-33(37)30(24-17-10-5-11-18-24)34-32(36)26-20-12-19-25(21-26)31(35)29-27(22-13-6-3-7-14-22)28(29)23-15-8-4-9-16-23/h3-21,27-30H,2H2,1H3,(H,34,36)/t27-,28+,29?,30-/m0/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)O)O
InChI: InChI=1S/C23H18BrNO6/c1-9-6-10(2-5-16(9)26)18-11-3-4-12-19(23(30)25(31)22(12)29)13(11)7-14-20(18)17(27)8-15(24)21(14)28/h2-3,5-6,8,12-13,18-19,26,31H,4,7H2,1H3/t12-,13+,18-,19-/m0/s1
SMILES: CC(=C1CC[C@@]2([C@@H](C1)CC[C@H]3[C@@H]2CCC[C@@]3(C)C(=O)O)C)C
InChI: InChI=1S/C20H32O2/c1-13(2)14-9-11-19(3)15(12-14)7-8-17-16(19)6-5-10-20(17,4)18(21)22/h15-17H,5-12H2,1-4H3,(H,21,22)/t15-,16+,17+,19-,20-/m1/s1
SMILES: CC1=C(C(=CC=C1)C)N2C(=O)[C@H]3[C@H]4C[C@@H]([C@H]3C2=O)[C@@H]5[C@H]4C(=NO5)C6=CC=C(C=C6)OC
InChI: InChI=1S/C25H24N2O4/c1-12-5-4-6-13(2)22(12)27-24(28)18-16-11-17(19(18)25(27)29)23-20(16)21(26-31-23)14-7-9-15(30-3)10-8-14/h4-10,16-20,23H,11H2,1-3H3/t16-,17+,18+,19-,20-,23-/m1/s1
SMILES: CC(C)S(=O)(=O)N[C@H]1CN(C[C@@H]1C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C4=CC=CC=C4
InChI: InChI=1S/C26H27N3O2S/c1-19(2)32(30,31)28-26-18-29(24-6-4-3-5-7-24)17-25(26)23-14-12-22(13-15-23)21-10-8-20(16-27)9-11-21/h3-15,19,25-26,28H,17-18H2,1-2H3/t25-,26+/m1/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=C(C=C3)C=CC(=O)OCC(F)(F)F)C(=O)N4CCC[C@@H]4C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C44H61F3N2O11/c1-6-8-10-22-43(23-11-9-7-2)58-35-26-31(40(54)49-24-12-13-33(49)39(53)48-32(27-50)19-21-37(52)59-42(3,4)5)25-34(38(35)60-43)57-41(55)30-17-14-29(15-18-30)16-20-36(51)56-28-44(45,46)47/h14-18,20,26,32-35,38,50H,6-13,19,21-25,27-28H2,1-5H3,(H,48,53)/t32-,33+,34+,35+,38-/m0/s1
SMILES: C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N
InChI: InChI=1S/C8H15N4O14P3/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(24-8)1-23-28(19,20)26-29(21,22)25-27(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H,19,20)(H,21,22)(H2,16,17,18)/t3-,4-,5-,8-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H](CC(O1)OC)NC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChI: InChI=1S/C11H13F6NO5/c1-4-7(23-9(20)11(15,16)17)5(3-6(21-2)22-4)18-8(19)10(12,13)14/h4-7H,3H2,1-2H3,(H,18,19)/t4-,5-,6?,7-/m0/s1
SMILES: C[C@@]1([C@H](C1(C2=CC=CC=C2)C3=CC=CC=C3)C=C(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C44H36/c1-43(33-41(36-24-12-4-13-25-36)37-26-14-5-15-27-37)42(32-40(34-20-8-2-9-21-34)35-22-10-3-11-23-35)44(43,38-28-16-6-17-29-38)39-30-18-7-19-31-39/h2-33,42H,1H3/t42-,43+/m1/s1
SMILES: C[C@]12CCC3[C@H]4CC[C@H](C[C@H]4CCC3C1[C@@H](C[C@@H]2C5=COC(=C5)CO)O)O
InChI: InChI=1S/C23H34O4/c1-23-7-6-18-17-5-3-15(25)8-13(17)2-4-19(18)22(23)21(26)10-20(23)14-9-16(11-24)27-12-14/h9,12-13,15,17-22,24-26H,2-8,10-11H2,1H3/t13-,15-,17+,18?,19?,20-,21-,22?,23-/m1/s1
SMILES: C=CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C1=O)C34CC4
InChI: InChI=1S/C14H15NO2/c1-2-7-15-12(16)10-8-3-4-9(11(10)13(15)17)14(8)5-6-14/h2-4,8-11H,1,5-7H2/t8-,9+,10-,11+
SMILES: CC1(O[C@@H]2CC[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C
InChI: InChI=1S/C13H23NO7S/c1-11(2)18-8-5-6-13(7-17-22(14,15)16)10(9(8)19-11)20-12(3,4)21-13/h8-10H,5-7H2,1-4H3,(H2,14,15,16)/t8-,9-,10+,13+/m1/s1
SMILES: CC(=C[C@H]1[C@]2(C[C@@H](N1C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C(=O)OC)C4=CC=CC=C4NC2=O)C
InChI: InChI=1S/C27H35N3O6/c1-16(2)14-21-27(17-10-7-8-11-18(17)28-24(27)33)15-20(23(32)35-6)30(21)22(31)19-12-9-13-29(19)25(34)36-26(3,4)5/h7-8,10-11,14,19-21H,9,12-13,15H2,1-6H3,(H,28,33)/t19-,20+,21-,27-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CCC[C@@H]1[C@H]([C@@H]([C@H](N1C(=O)OCC2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)OC
InChI: InChI=1S/C45H54N2O9/c1-45(2,3)56-43(49)46-37(42(48)51-4)26-17-27-38-40(53-29-34-20-11-6-12-21-34)41(54-30-35-22-13-7-14-23-35)39(32-52-28-33-18-9-5-10-19-33)47(38)44(50)55-31-36-24-15-8-16-25-36/h5-16,18-25,37-41H,17,26-32H2,1-4H3,(H,46,49)/t37-,38+,39+,40+,41+/m0/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)/t14-,15-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)I)C6=C(C=C(C=C6OC)OC)O
InChI: InChI=1S/C31H26INO7/c1-14-10-22(34)21-13-20-18(26(27(21)29(14)36)28-23(35)11-17(39-2)12-24(28)40-3)8-9-19-25(20)31(38)33(30(19)37)16-6-4-15(32)5-7-16/h4-8,10-12,19-20,25-26,35H,9,13H2,1-3H3/t19-,20+,25-,26-/m0/s1
SMILES: C1C[C@H]2[C@@H](C/C=C\C[C@H]3[C@H](O2)C[C@H]([C@H]4[C@H](O3)CC[C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OC1
InChI: InChI=1S/C33H42O6/c1-3-10-24(11-4-1)21-34-23-26-17-18-30-33(37-26)32(36-22-25-12-5-2-6-13-25)20-31-29(38-30)15-8-7-14-27-28(39-31)16-9-19-35-27/h1-8,10-13,26-33H,9,14-23H2/b8-7-/t26-,27+,28-,29-,30+,31+,32+,33+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@H](NC(=O)N[C@]2(C(F)(F)F)O)C3=CC=CS3
InChI: InChI=1S/C16H13F3N2O3S/c17-16(18,19)15(24)11(13(22)9-5-2-1-3-6-9)12(20-14(23)21-15)10-7-4-8-25-10/h1-8,11-12,24H,(H2,20,21,23)/t11-,12+,15-/m0/s1
SMILES: C1[C@@H]2[C@@H]([C@]2(C(=O)O)F)[C@@]([C@@H]1NCC3=CC(=C(C=C3)Cl)Cl)(C(=O)O)N
InChI: InChI=1S/C15H15Cl2FN2O4/c16-8-2-1-6(3-9(8)17)5-20-10-4-7-11(14(7,18)12(21)22)15(10,19)13(23)24/h1-3,7,10-11,20H,4-5,19H2,(H,21,22)(H,23,24)/t7-,10-,11+,14-,15+/m1/s1
SMILES: CCCC(=O)O[C@H]1[C@@H](OC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI: InChI=1S/C19H18O4/c1-2-8-16(20)23-19-17(21)14-11-6-7-12-15(14)22-18(19)13-9-4-3-5-10-13/h3-7,9-12,18-19H,2,8H2,1H3/t18-,19+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCC[NH+]2CC(=O)NC3=C(C=CC(=C3)F)F
InChI: InChI=1S/C17H22F2N2O/c18-13-7-8-14(19)15(10-13)20-17(22)11-21-9-3-5-12-4-1-2-6-16(12)21/h7-8,10,12,16H,1-6,9,11H2,(H,20,22)/p+1/t12-,16+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C=CO[C@H]([C@H]1OCC2=CC=CC=C2)C
InChI: InChI=1S/C19H30O3Si/c1-5-23(6-2,7-3)22-18-13-14-20-16(4)19(18)21-15-17-11-9-8-10-12-17/h8-14,16,18-19H,5-7,15H2,1-4H3/t16-,18-,19+/m0/s1
SMILES: CC1=C([C@@H]([C@@H](C(=C1)N2CCOCC2)C(=O)OC)C3=CC=C(C=C3)OC)C(=O)OC
InChI: InChI=1S/C22H27NO6/c1-14-13-17(23-9-11-29-12-10-23)20(22(25)28-4)19(18(14)21(24)27-3)15-5-7-16(26-2)8-6-15/h5-8,13,19-20H,9-12H2,1-4H3/t19-,20+/m0/s1
SMILES: CCCCCCCCCCCCCCC(C(=O)SCCNC(=O)CCNC(=O)C(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)Br
InChI: InChI=1S/C37H65BrN7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25(38)36(50)66-20-19-40-27(46)17-18-41-34(49)31(48)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-30(61-63(51,52)53)29(47)35(60-26)45-24-44-28-32(39)42-23-43-33(28)45/h23-26,29-31,35,47-48H,4-22H2,1-3H3,(H,40,46)(H,41,49)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t25?,26-,29-,30-,31?,35-/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)Br)C)O)F)C)F
InChI: InChI=1S/C24H29BrF2O5/c1-12-7-15-16-9-18(26)17-8-14(29)5-6-21(17,3)24(16,27)19(30)10-22(15,4)23(12,25)20(31)11-32-13(2)28/h5-6,8,12,15-16,18-19,30H,7,9-11H2,1-4H3/t12-,15+,16+,18-,19+,21+,22+,23+,24?/m1/s1
SMILES: CC(=O)N[C@H]1CO[C@@H]([C@@H]2[C@@H]1ON([C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O2)CO)O)O)C(=O)C)CO
InChI: InChI=1S/C16H26N2O10/c1-6(21)17-8-5-25-10(4-20)15-14(8)28-18(7(2)22)11-13(24)12(23)9(3-19)26-16(11)27-15/h8-16,19-20,23-24H,3-5H2,1-2H3,(H,17,21)/t8-,9+,10+,11+,12+,13+,14+,15+,16-/m0/s1
SMILES: CC(=O)O[C@@]1(CCCC([C@H]1CCC(C(=O)CCC=C)C(=O)OCC=C)(C)C)C
InChI: InChI=1S/C23H36O5/c1-7-9-11-19(25)18(21(26)27-16-8-2)12-13-20-22(4,5)14-10-15-23(20,6)28-17(3)24/h7-8,18,20H,1-2,9-16H2,3-6H3/t18?,20-,23-/m1/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)NC6=CC=CC(=C6)C(F)(F)F
InChI: InChI=1S/C27H19F3N2O3/c28-27(29,30)14-6-5-7-15(12-14)31-20(33)13-32-25(34)23-21-16-8-1-2-9-17(16)22(24(23)26(32)35)19-11-4-3-10-18(19)21/h1-12,21-24H,13H2,(H,31,33)/t21?,22?,23-,24-/m1/s1
SMILES: CC[C@@H]1[C@H]([S+]2C3=CC=CC=C3[S+]1C4=CC=CC=C42)CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
InChI: InChI=1S/C18H20S2.2ClHO4/c1-3-13-14(4-2)20-17-11-7-5-9-15(17)19(13)16-10-6-8-12-18(16)20;2*2-1(3,4)5/h5-14H,3-4H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2/t13-,14-,19?,20?;;/m1../s1
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)[C@@H](C)NC(=S)N[C@@H]2CCCC[C@@H]2C
InChI: InChI=1S/C20H33N3O2S2/c1-5-23(6-2)27(24,25)18-13-11-17(12-14-18)16(4)21-20(26)22-19-10-8-7-9-15(19)3/h11-16,19H,5-10H2,1-4H3,(H2,21,22,26)/t15-,16+,19+/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@H]([C@H](S1)CC2=CC=CC=C2)OCC3=CC=CC=C3)O)O)OCC4=CC=CC=C4
InChI: InChI=1S/C27H30O4S/c28-25-23(30-17-21-12-6-2-7-13-21)19-32-24(16-20-10-4-1-5-11-20)27(26(25)29)31-18-22-14-8-3-9-15-22/h1-15,23-29H,16-19H2/t23-,24+,25-,26+,27-/m0/s1
SMILES: CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H]([C@@H](C4(C)C)O)O)C)C)C)O)O
InChI: InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25-26,34-35,38-39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,26+,29+,30-,31+,32+/m1/s1
SMILES: CC(=C)[C@H]1[C@]23C=C[C@H](O2)[C@H]([C@@H]3C(=O)N1CC4=CC5=C(C=C4)OCO5)C(=O)O
InChI: InChI=1S/C20H19NO6/c1-10(2)17-20-6-5-13(27-20)15(19(23)24)16(20)18(22)21(17)8-11-3-4-12-14(7-11)26-9-25-12/h3-7,13,15-17H,1,8-9H2,2H3,(H,23,24)/t13-,15+,16+,17-,20+/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@H]1C(=O)CN5CCN(CC5)C6=CC(=NC(=N6)N7CCOCC7)N8CCOCC8)C)C
InChI: InChI=1S/C38H52N6O4/c1-26-22-31-29-5-4-27-23-28(45)6-8-37(27,2)30(29)7-9-38(31,3)35(26)32(46)25-41-10-12-42(13-11-41)33-24-34(43-14-18-47-19-15-43)40-36(39-33)44-16-20-48-21-17-44/h6-8,23-24,26,29,31,35H,4-5,9-22,25H2,1-3H3/t26-,29-,31+,35-,37+,38+/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(C(=O)NC5=O)F)O)O
InChI: InChI=1S/C30H29FN2O8/c1-38-21-12-8-19(9-13-21)30(18-6-4-3-5-7-18,20-10-14-22(39-2)15-11-20)40-17-24-25(34)26(35)28(41-24)33-16-23(31)27(36)32-29(33)37/h3-16,24-26,28,34-35H,17H2,1-2H3,(H,32,36,37)/t24-,25-,26-,28-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2[C@@H]3CC[C@H](C2=O)N3C(=O)OC(C)(C)C)C(C)C
InChI: InChI=1S/C22H35NO5/c1-12(2)14-8-7-13(3)11-17(14)27-20(25)18-15-9-10-16(19(18)24)23(15)21(26)28-22(4,5)6/h12-18H,7-11H2,1-6H3/t13-,14+,15+,16-,17-,18?/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=C(C4=CC(=O)C=C[C@]34C)CCCCC5=CC=CC=C5
InChI: InChI=1S/C29H34O2/c1-28-16-14-22(30)19-26(28)21(11-7-6-10-20-8-4-3-5-9-20)18-23-24-12-13-27(31)29(24,2)17-15-25(23)28/h3-5,8-9,14,16,18-19,23-25H,6-7,10-13,15,17H2,1-2H3/t23-,24-,25-,28+,29-/m0/s1
SMILES: C[C@H](C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O
InChI: InChI=1S/C23H38O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h14,16-21,24H,5-13H2,1-4H3/t14-,16+,17+,18+,19?,20+,21+,22+,23-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CSC(=N4)C5=CC(=C(C=C5)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C41H56N4O9SSi2/c1-39(2,3)52-38(48)43-33-30-20-19-28(34(44(30)36(33)46)37(47)51-23-25-14-17-27(18-15-25)45(49)50)29-24-55-35(42-29)26-16-21-31(53-56(10,11)40(4,5)6)32(22-26)54-57(12,13)41(7,8)9/h14-18,21-22,24,30,33H,19-20,23H2,1-13H3,(H,43,48)/t30-,33+/m1/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C17H24Cl3NO9S/c1-5-31-15-12(21-16(25)27-7-17(18,19)20)14(29-10(4)24)13(28-9(3)23)11(30-15)6-26-8(2)22/h11-15H,5-7H2,1-4H3,(H,21,25)/t11-,12-,13-,14-,15+/m1/s1
SMILES: CCC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N[C@@H]3CCCC[C@@H]3C
InChI: InChI=1S/C23H36N4O2/c1-3-19-9-5-7-11-21(19)25-23(29)17-27-14-12-26(13-15-27)16-22(28)24-20-10-6-4-8-18(20)2/h5,7,9,11,18,20H,3-4,6,8,10,12-17H2,1-2H3,(H,24,28)(H,25,29)/p+2/t18-,20+/m0/s1
SMILES: C1=CC=C2C3[C@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)NC7=CC=C(C=C7)F
InChI: InChI=1S/C31H21FN2O3/c32-18-11-13-19(14-12-18)33-29(35)17-9-15-20(16-10-17)34-30(36)27-25-21-5-1-2-6-22(21)26(28(27)31(34)37)24-8-4-3-7-23(24)25/h1-16,25-28H,(H,33,35)/t25?,26?,27-,28-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)C5=CC=C(C=C5)Cl)NC6=C(C=C(C=N6)C(F)(F)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CCC8=CC=C(C=C8)O
InChI: InChI=1S/C40H31Cl2F3N4O6/c41-23-9-7-21(8-10-23)39-29(36(53)49(38(39)55)47-34-30(42)17-22(19-46-34)40(43,44)45)18-28-25(33(39)26-3-1-2-4-31(26)51)13-14-27-32(28)37(54)48(35(27)52)16-15-20-5-11-24(50)12-6-20/h1-13,17,19,27-29,32-33,50-51H,14-16,18H2,(H,46,47)/t27-,28+,29-,32-,33+,39+/m0/s1
SMILES: C1CC[C@H]2C(=NN([C@@]2(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)O)CC1
InChI: InChI=1S/C16H17F3N2O3/c17-16(18,19)15(24)12-4-2-1-3-5-13(12)20-21(15)14(23)10-6-8-11(22)9-7-10/h6-9,12,22,24H,1-5H2/t12-,15+/m0/s1
SMILES: CC(C)(C)OC(=O)[C@H]1[C@H](C[C@H](N1)CCO)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H35NO4Si/c1-16(2,3)21-15(20)14-13(11-12(18-14)9-10-19)22-23(7,8)17(4,5)6/h12-14,18-19H,9-11H2,1-8H3/t12-,13+,14-/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C29H24N2O3/c1-2-19-15-17-21(18-16-19)30-28(32)25-26(24-14-8-10-20-9-6-7-13-23(20)24)31(34-27(25)29(30)33)22-11-4-3-5-12-22/h3-18,25-27H,2H2,1H3/t25-,26-,27-/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@@]4([C@@H]([C@H]2O1)ON([C@@H]4C(=O)O3)CC5=CC=C(C=C5)C=CC6CCC7C(C6)O7)C(=O)NCC8=CC(=CC=C8)C(=O)NCCO)CCCCC
InChI: InChI=1S/C45H59N3O9/c1-3-5-7-20-44(21-8-6-4-2)55-37-36-26-45(43(52)47-27-32-10-9-11-33(24-32)41(50)46-22-23-49)39(42(51)54-36)48(57-40(45)38(37)56-44)28-31-16-13-29(14-17-31)12-15-30-18-19-34-35(25-30)53-34/h9-17,24,30,34-40,49H,3-8,18-23,25-28H2,1-2H3,(H,46,50)(H,47,52)/t30?,34?,35?,36-,37+,38+,39-,40-,45-/m1/s1
SMILES: CC(C)C1CC[C@H]2C(C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CO)C.C1=CC=C(C(=C1)C(=O)O)C(=O)O
InChI: InChI=1S/C20H36O.C8H6O4/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;9-7(10)5-3-1-2-4-6(5)8(11)12/h14-18,21H,5-13H2,1-4H3;1-4H,(H,9,10)(H,11,12)/t15?,16?,17-,18-,19-,20+;/m0./s1
SMILES: CC(C)[C@@H]1CC[C@]([C@H]2[C@H]1[C@H]3C(=C)CCC[C@@]3(CC2)C)(C)O
InChI: InChI=1S/C20H34O/c1-13(2)15-8-12-20(5,21)16-9-11-19(4)10-6-7-14(3)18(19)17(15)16/h13,15-18,21H,3,6-12H2,1-2,4-5H3/t15-,16+,17-,18+,19+,20-/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@]2([C@]13C[C@@H]([C@@H]([C@@H]2OC(=O)C4=CN=CC=C4)OC(=O)C)C(O3)(C)C)COC(=O)C5=CC=CC=C5)OC(=O)C
InChI: InChI=1S/C32H37NO9/c1-19-13-14-25(39-20(2)34)31(18-38-28(36)22-10-7-6-8-11-22)27(41-29(37)23-12-9-15-33-17-23)26(40-21(3)35)24-16-32(19,31)42-30(24,4)5/h6-12,15,17,19,24-27H,13-14,16,18H2,1-5H3/t19-,24+,25+,26+,27+,31+,32+/m1/s1
SMILES: CC1(O[C@@H]2C[C@](C[C@@H]([C@@H]2O1)OCC=C)(C(=O)NCCOC)OCC3=CC=CC=C3)C
InChI: InChI=1S/C23H33NO6/c1-5-12-27-18-14-23(21(25)24-11-13-26-4,28-16-17-9-7-6-8-10-17)15-19-20(18)30-22(2,3)29-19/h5-10,18-20H,1,11-16H2,2-4H3,(H,24,25)/t18-,19+,20-,23+/m0/s1
SMILES: C1C2CC3CC1CC(C2)(C3)CNC(=O)[C@H]4[C@H](C5C6=CC=CC=C6C4C7=CC=CC=C57)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)NC9=CC(=C(C=C9)C(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1
InChI: InChI=1S/C60H57N3O7/c64-55(62-43-24-25-48(58(67)69-34-38-16-6-2-7-17-38)49(30-43)59(68)70-35-39-18-8-3-9-19-39)50(29-37-14-4-1-5-15-37)63-57(66)54-52-46-22-12-10-20-44(46)51(45-21-11-13-23-47(45)52)53(54)56(65)61-36-60-31-40-26-41(32-60)28-42(27-40)33-60/h1-25,30,40-42,50-54H,26-29,31-36H2,(H,61,65)(H,62,64)(H,63,66)/t40?,41?,42?,50-,51?,52?,53+,54-,60?/m0/s1
SMILES: CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C4=C(C(=O)N(C=N4)COCCOP(=O)(O)SC5=CC=CC=C5)N=C3N=[N+]=[N-])COP(=O)(O)O)C
InChI: InChI=1S/C22H27N7O12P2S.3C6H15N/c1-22(2)40-16-14(10-38-42(31,32)33)39-20(17(16)41-22)29-18-15(25-21(29)26-27-23)19(30)28(11-24-18)12-36-8-9-37-43(34,35)44-13-6-4-3-5-7-13;3*1-4-7(5-2)6-3/h3-7,11,14,16-17,20H,8-10,12H2,1-2H3,(H,34,35)(H2,31,32,33);3*4-6H2,1-3H3/t14-,16-,17-,20-;;;/m1.../s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC3=NC(=NO3)C4=C(C=C(C=C4)OC)OC
InChI: InChI=1S/C20H24N4O5/c1-12-6-4-5-9-20(12)18(25)24(19(26)22-20)11-16-21-17(23-29-16)14-8-7-13(27-2)10-15(14)28-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,22,26)/t12-,20-/m0/s1
SMILES: C1OC2=C(O1)C=C(C=C2)[C@H]3[C@@H](C(=O)N3CCC4=CC=C(C=C4)Cl)OC5=CC=C(C=C5)Cl
InChI: InChI=1S/C24H19Cl2NO4/c25-17-4-1-15(2-5-17)11-12-27-22(16-3-10-20-21(13-16)30-14-29-20)23(24(27)28)31-19-8-6-18(26)7-9-19/h1-10,13,22-23H,11-12,14H2/t22-,23-/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCCCN2CCCC2=O)C3=CC=C(C=C3)C(=O)OC)CCCO
InChI: InChI=1S/C26H36N2O7/c1-3-34-26-20(7-5-16-29)21(18-9-11-19(12-10-18)25(32)33-2)17-22(35-26)24(31)27-13-6-15-28-14-4-8-23(28)30/h9-12,17,20-21,26,29H,3-8,13-16H2,1-2H3,(H,27,31)/t20-,21-,26-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)COC2=C(C=C(C=C2)C(=O)C)OC
InChI: InChI=1S/C22H31NO6/c1-13-7-6-8-18(14(13)2)23-22(26)16(4)29-21(25)12-28-19-10-9-17(15(3)24)11-20(19)27-5/h9-11,13-14,16,18H,6-8,12H2,1-5H3,(H,23,26)/t13-,14+,16+,18+/m0/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)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)NCCOCCO
InChI: InChI=1S/C37H55N3O9/c1-5-19-47-27-13-14-32-30(24-27)34-28(12-8-10-17-42)26(11-7-9-16-41)23-29-31(39-45-4)25-33(37(49-32,35(29)34)48-20-6-2)40(3)36(44)38-15-21-46-22-18-43/h5-6,13-14,23-24,26,28,33-35,41-43H,1-2,7-12,15-22,25H2,3-4H3,(H,38,44)/t26-,28+,33-,34+,35+,37+/m0/s1
SMILES: CC(C)[C@@H](CN1CCCS1(=O)=O)NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H](C2C(=O)NC(CC4CCC4)C(=O)C(=O)N)C3(C)C)C(C)(C)C
InChI: InChI=1S/C31H52N6O7S/c1-17(2)21(16-36-12-9-13-45(36,43)44)34-29(42)35-25(30(3,4)5)28(41)37-15-19-22(31(19,6)7)23(37)27(40)33-20(24(38)26(32)39)14-18-10-8-11-18/h17-23,25H,8-16H2,1-7H3,(H2,32,39)(H,33,40)(H2,34,35,42)/t19-,20?,21+,22-,23?,25+/m0/s1
SMILES: CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)N
InChI: InChI=1S/C17H23N3O5/c1-19-15(18)14(16(23)20(2)17(19)24)12(21)8-25-13(22)7-11-6-9-3-4-10(11)5-9/h9-11H,3-8,18H2,1-2H3/t9-,10+,11-/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)OCC2=CC3=C(C=C2)OCCOCCOCCOCCO3)OCC4=CC5=C(C=C4)OCCOCCOCCOCCO5
InChI: InChI=1S/C36H52O12/c1-2-4-32(48-28-30-6-8-34-36(26-30)46-24-20-42-16-12-38-10-14-40-18-22-44-34)31(3-1)47-27-29-5-7-33-35(25-29)45-23-19-41-15-11-37-9-13-39-17-21-43-33/h5-8,25-26,31-32H,1-4,9-24,27-28H2/t31-,32+
SMILES: C1=COC(=C1)[C@@H](OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)P(=O)(O)[O-].[Na+].[Na+]
InChI: InChI=1S/C14H19N3O12P2.2Na/c15-9-3-4-17(14(20)16-9)12-11(19)10(18)8(28-12)6-27-31(24,25)29-13(30(21,22)23)7-2-1-5-26-7;;/h1-5,8,10-13,18-19H,6H2,(H,24,25)(H2,15,16,20)(H2,21,22,23);;/q;2*+1/p-2/t8-,10-,11-,12-,13+;;/m1../s1
SMILES: [C@@H]1([C@@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)F)OP(=O)(O)O)OP(=O)(O)O
InChI: InChI=1S/C6H15FO17P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-6,8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1?,2?,3-,4-,5-,6-/m1/s1
SMILES: CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[C@@H]4C[C@H]4Cl
InChI: InChI=1S/C26H24ClO3P/c1-2-30-26(29)25(24(28)22-18-23(22)27)31(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-23H,2,18H2,1H3/t22-,23-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)F)CC=C4[C@@]3(C[C@H](CC4)O)C
InChI: InChI=1S/C19H29FO2/c1-18-8-7-14-13(15(18)9-16(20)17(18)22)6-4-11-3-5-12(21)10-19(11,14)2/h4,12-17,21-22H,3,5-10H2,1-2H3/t12-,13+,14-,15-,16+,17-,18-,19-/m0/s1
SMILES: COC1=C(C=CC(=C1)C[C@@H](CO)[C@@H](CC2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C=C4)O)OC)O)O)O)OC)CO)O
InChI: InChI=1S/C34H42O14/c1-43-26-12-18(4-7-23(26)37)10-21(15-35)22(16-36)11-19-5-9-25(28(13-19)45-3)47-34-32(41)31(40)30(39)29(48-34)17-46-33(42)20-6-8-24(38)27(14-20)44-2/h4-9,12-14,21-22,29-32,34-41H,10-11,15-17H2,1-3H3/t21-,22-,29+,30+,31-,32+,34+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)CC=O)O
InChI: InChI=1S/C16H20O6/c1-19-16-13(18)11(7-8-17)14-12(21-16)9-20-15(22-14)10-5-3-2-4-6-10/h2-6,8,11-16,18H,7,9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C21H31N3O3/c1-16-4-2-3-5-18(16)22-21(25)14-24-10-8-23(9-11-24)13-17-6-7-19-20(12-17)27-15-26-19/h6-7,12,16,18H,2-5,8-11,13-15H2,1H3,(H,22,25)/p+2/t16-,18+/m1/s1
SMILES: C1=CC=C2C3[C@@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C(CO)(CO)CO
InChI: InChI=1S/C22H21NO5/c24-9-22(10-25,11-26)23-20(27)18-16-12-5-1-2-6-13(12)17(19(18)21(23)28)15-8-4-3-7-14(15)16/h1-8,16-19,24-26H,9-11H2/t16?,17?,18-,19+
SMILES: CC(=O)O[C@H]1C2=C(CC(CC2)CCCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C(=O)C(=C5[C@]16C[C@@H]([C@@H](C5(C)C)O6)O[Si](C7=CC=CC=C7)(C8=CC=CC=C8)C(C)(C)C)O
InChI: InChI=1S/C54H66O7Si2/c1-37(55)59-49-43-33-32-38(23-22-34-58-62(51(2,3)4,39-24-14-10-15-25-39)40-26-16-11-17-27-40)35-44(43)46(56)47(57)48-53(8,9)50-45(36-54(48,49)60-50)61-63(52(5,6)7,41-28-18-12-19-29-41)42-30-20-13-21-31-42/h10-21,24-31,38,45,49-50,57H,22-23,32-36H2,1-9H3/t38?,45-,49-,50-,54+/m0/s1
SMILES: C1[C@@H]2[C@@H](CC2=O)[C@H]3[C@H](O3)[C@H]4[C@@H]1O4
InChI: InChI=1S/C9H10O3/c10-5-1-4-3(5)2-6-8(11-6)9-7(4)12-9/h3-4,6-9H,1-2H2/t3-,4-,6-,7+,8-,9+/m1/s1
SMILES: C/C=C/1\[C@H]2C3=CN4[C@@]56O[C@]37N(C8=CC=CC=C8[C@]79[C@H](C2)[N@+](C1)(CC9)C)C=C5[C@@H]1/C(=C\C)/C[N@+]2([C@H]([C@]6(C3=CC=CC=C43)CC2)C1)C
InChI: InChI=1S/C40H44N4O/c1-5-25-23-43(3)17-15-37-29-11-7-10-14-34(29)42-22-32-28-20-36-38(16-18-44(36,4)24-26(28)6-2)30-12-8-9-13-33(30)41-21-31(27(25)19-35(37)43)39(37,42)45-40(32,38)41/h5-14,21-22,27-28,35-36H,15-20,23-24H2,1-4H3/q+2/b25-5-,26-6-/t27-,28-,35-,36-,37+,38+,39+,40+,43-,44-/m0/s1
SMILES: CCC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4([C@@]1(CC(=O)CC4)O)C)C
InChI: InChI=1S/C22H34O3/c1-4-5-14-12-16-17-6-7-19(24)20(17,2)10-9-18(16)21(3)11-8-15(23)13-22(14,21)25/h14,16-18,25H,4-13H2,1-3H3/t14-,16+,17+,18+,20+,21-,22+/m1/s1
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])[C@@H]2[C@H](C(=N)SC(=C2C#N)N)C#N
InChI: InChI=1S/C13H9N5O2S/c14-5-9-11(10(6-15)13(17)21-12(9)16)7-2-1-3-8(4-7)18(19)20/h1-4,9,11,16H,17H2/t9-,11-/m1/s1
SMILES: CO[C@H]1C[C@@H]([C@H]([C@@H]1OC)/C=C/C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H29O3P/c1-29-25-20-26(24(27(25)30-2)19-18-21-12-6-3-7-13-21)31(28,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-19,24-27H,20H2,1-2H3/b19-18+/t24-,25+,26+,27+/m1/s1