EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1([C@@H]2CC(=O)[C@@]3([C@@H]1[C@@H](C(=O)[C@]45[C@H]3CC[C@H](C4)C(=C)C5=O)O)CO2)C
InChI: InChI=1S/C20H24O5/c1-9-10-4-5-11-19(7-10,16(9)23)17(24)14(22)15-18(2,3)13-6-12(21)20(11,15)8-25-13/h10-11,13-15,22H,1,4-8H2,2-3H3/t10-,11-,13+,14+,15-,19+,20-/m1/s1
SMILES: CCC1=CC(=CC=C1)OCC(=O)NNC(=S)N[C@@H]2CCC[C@H]([C@@H]2C)C
InChI: InChI=1S/C19H29N3O2S/c1-4-15-8-6-9-16(11-15)24-12-18(23)21-22-19(25)20-17-10-5-7-13(2)14(17)3/h6,8-9,11,13-14,17H,4-5,7,10,12H2,1-3H3,(H,21,23)(H2,20,22,25)/t13-,14+,17-/m1/s1
SMILES: C1=CC(=CC(=C1)Cl)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)Br
InChI: InChI=1S/C22H15BrClF3N2O4/c23-13-6-4-11(5-7-13)19(30)17-18(28-20(31)29-21(17,32)22(25,26)27)16-9-8-15(33-16)12-2-1-3-14(24)10-12/h1-10,17-18,32H,(H2,28,29,31)/t17-,18+,21+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H19NO/c1-16-12-14-18(15-13-16)21-20(17-8-4-2-5-9-17)22(24)23(21)19-10-6-3-7-11-19/h2-15,20-21H,1H3/t20-,21-/m1/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C16H14N2O4/c19-15-13-9-4-5-10(7-6-9)14(13)16(20)17(15)11-2-1-3-12(8-11)18(21)22/h1-5,8-10,13-14H,6-7H2/t9-,10+,13-,14+
SMILES: CC(C)(C)C(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C(C)(C)C)O[C@H]2C=CC3C4CC5=C6[C@]3([C@H]2OC6=C(C=C5)OC(=O)C(C)(C)C)CCN4C)C(=O)OC)OC(=O)C(C)(C)C
InChI: InChI=1S/C44H61NO13/c1-40(2,3)36(47)53-25-17-15-22-21-24-23-16-18-26(33-44(23,19-20-45(24)13)27(22)28(25)54-33)52-35-32(58-39(50)43(10,11)12)30(57-38(49)42(7,8)9)29(31(55-35)34(46)51-14)56-37(48)41(4,5)6/h15-18,23-24,26,29-33,35H,19-21H2,1-14H3/t23?,24?,26-,29-,30-,31-,32+,33-,35+,44-/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=CC(=C(C=C6)O)C)C(=O)C=C(C5=O)Br)(O)O
InChI: InChI=1S/C29H23BBrNO7/c1-13-9-14(5-8-22(13)33)24-17-6-7-18-25(19(17)11-20-26(24)23(34)12-21(31)27(20)35)29(37)32(28(18)36)16-4-2-3-15(10-16)30(38)39/h2-6,8-10,12,18-19,24-25,33,38-39H,7,11H2,1H3/t18-,19+,24-,25-/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)C4=CC=CC(=C4)CNC(=O)C5=CC=CC=C5)CN6CCC(CC6)(C7=CC=C(C=C7)Cl)O
InChI: InChI=1S/C44H45ClN2O5/c1-30-40(28-47-24-22-44(50,23-25-47)38-18-20-39(45)21-19-38)51-43(52-41(30)34-12-10-31(29-48)11-13-34)36-16-14-33(15-17-36)37-9-5-6-32(26-37)27-46-42(49)35-7-3-2-4-8-35/h2-21,26,30,40-41,43,48,50H,22-25,27-29H2,1H3,(H,46,49)/t30-,40+,41+,43+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC2=CC=CC=C2
InChI: InChI=1S/C16H24N2O/c1-12-8-6-7-11-15(12)17-13(2)16(19)18-14-9-4-3-5-10-14/h3-5,9-10,12-13,15,17H,6-8,11H2,1-2H3,(H,18,19)/p+1/t12-,13+,15+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2C3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=CC=C6Br
InChI: InChI=1S/C29H26BrNO8/c1-34-22-8-14(9-23(35-2)27(22)36-3)24-16-10-20-21(39-13-38-20)11-17(16)26(18-12-37-29(33)25(18)24)31-28(32)15-6-4-5-7-19(15)30/h4-11,18,24-26H,12-13H2,1-3H3,(H,31,32)/t18-,24+,25?,26+/m0/s1
SMILES: CC(C)OC1[C@H]2[C@@H](C([C@@H]3[C@@H]1OC4(O3)CCCCC4)OC(C)C)OC5(O2)CCCCC5
InChI: InChI=1S/C24H40O6/c1-15(2)25-17-19-21(29-23(27-19)11-7-5-8-12-23)18(26-16(3)4)22-20(17)28-24(30-22)13-9-6-10-14-24/h15-22H,5-14H2,1-4H3/t17?,18?,19-,20-,21-,22+/m1/s1
SMILES: CC[Si](CC)(CC)/C=C/[C@@H]1C=C[C@H]([C@H](O1)COC(=O)C)OC(=O)C
InChI: InChI=1S/C18H30O5Si/c1-6-24(7-2,8-3)12-11-16-9-10-17(22-15(5)20)18(23-16)13-21-14(4)19/h9-12,16-18H,6-8,13H2,1-5H3/b12-11+/t16-,17+,18+/m0/s1
SMILES: C1[C@H]([C@H]([C@H]([C@@H](O1)NC2=CC=C(C=C2)C(=O)[O-])O)O)O
InChI: InChI=1S/C12H15NO6/c14-8-5-19-11(10(16)9(8)15)13-7-3-1-6(2-4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)/p-1/t8-,9-,10-,11-/m1/s1
SMILES: CCC(CC1=C(C=C(C=C1I)I)I)C(=O)OC(C)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CC=C3C2)[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C40H59I3O3/c1-8-27(20-32-36(42)22-29(41)23-37(32)43)38(44)46-26(5)45-30-16-18-39(6)28(21-30)12-13-31-34-15-14-33(25(4)11-9-10-24(2)3)40(34,7)19-17-35(31)39/h12,22-27,30-31,33-35H,8-11,13-21H2,1-7H3/t25-,26?,27?,30+,31?,33-,34?,35?,39+,40-/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@H]([C@@H]([C@H](O1)[C@H]2COC(O2)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H36O7Si/c1-9-22-17(21)13-10-12(26-27(7,8)18(2,3)4)15(20)16(24-13)14-11-23-19(5,6)25-14/h12-16,20H,9-11H2,1-8H3/t12-,13-,14-,15+,16-/m1/s1
SMILES: CC(C)(C)OC(=O)NC(C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N)C3(CCOCC3)C=C
InChI: InChI=1S/C20H31N3O5/c1-5-20(6-8-27-9-7-20)15(22-18(26)28-19(2,3)4)17(25)23-13-10-12(13)11-14(23)16(21)24/h5,12-15H,1,6-11H2,2-4H3,(H2,21,24)(H,22,26)/t12-,13-,14-,15?/m0/s1
SMILES: CC[C@H](C)[NH2+]C[C@@H]1[C@H]2C[C@@H]3C(=C)CCC[C@@]3(C[C@H]2OC1=O)C
InChI: InChI=1S/C19H31NO2/c1-5-13(3)20-11-15-14-9-16-12(2)7-6-8-19(16,4)10-17(14)22-18(15)21/h13-17,20H,2,5-11H2,1,3-4H3/p+1/t13-,14+,15+,16+,17+,19+/m0/s1
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H25N3O4/c1-14-7-9-15(10-8-14)22-18(25)13-23(2)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+
SMILES: CC1=NOC(=C1)CC(=O)N2[C@@H]3CCCC[C@H]3NC4=C([C@H]2C5=CC=CC=C5OC)C(=O)NC4
InChI: InChI=1S/C24H28N4O4/c1-14-11-15(32-27-14)12-21(29)28-19-9-5-4-8-17(19)26-18-13-25-24(30)22(18)23(28)16-7-3-6-10-20(16)31-2/h3,6-7,10-11,17,19,23,26H,4-5,8-9,12-13H2,1-2H3,(H,25,30)/t17-,19-,23-/m1/s1
SMILES: CN(C)C1CCN(C1)C2=CC=CC3=NC(=CN32)CN4CCC[C@@H]5[C@H]4C6=C(CC5)C=CC=N6
InChI: InChI=1S/C26H34N6/c1-29(2)22-12-15-30(18-22)24-9-3-8-23-28-21(17-32(23)24)16-31-14-5-7-20-11-10-19-6-4-13-27-25(19)26(20)31/h3-4,6,8-9,13,17,20,22,26H,5,7,10-12,14-16,18H2,1-2H3/t20-,22?,26-/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C22H21F3N2O6/c1-30-15-8-6-14(7-9-15)26-21(29)33-17-11-32-18-16(10-31-19(17)18)27-20(28)12-2-4-13(5-3-12)22(23,24)25/h2-9,16-19H,10-11H2,1H3,(H,26,29)(H,27,28)/t16-,17+,18+,19+/m0/s1
SMILES: CC1=CC(=CC=C1)C(=O)NC2=CC3=C4C(=C2)[C@@H]5CCC[C@@H]5CN4C[C@H]6[C@H]3CCC6
InChI: InChI=1S/C26H30N2O/c1-16-5-2-6-17(11-16)26(29)27-20-12-23-21-9-3-7-18(21)14-28-15-19-8-4-10-22(19)24(13-20)25(23)28/h2,5-6,11-13,18-19,21-22H,3-4,7-10,14-15H2,1H3,(H,27,29)/t18-,19+,21-,22-/m1/s1
SMILES: CCN(CC1=CC=C(S1)Cl)C(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C18H24ClN3O3S/c1-3-21(10-13-7-8-14(19)26-13)15(23)11-22-16(24)18(20-17(22)25)9-5-4-6-12(18)2/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,25)/t12-,18-/m0/s1
SMILES: CC(C)C[C@@H](C(=O)OC)NC(=O)CCCCCCCNC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C(=C)C
InChI: InChI=1S/C47H78N2O6/c1-30(2)29-35(41(52)54-11)49-39(51)17-15-13-12-14-16-28-48-42(53)47-25-20-33(31(3)4)40(47)34-18-19-37-44(8)23-22-38(55-32(5)50)43(6,7)36(44)21-24-46(37,10)45(34,9)26-27-47/h30,33-38,40H,3,12-29H2,1-2,4-11H3,(H,48,53)(H,49,51)/t33-,34+,35-,36-,37+,38-,40+,44-,45+,46+,47-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(CC2=CC=C(C=C2)Cl)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=CC=CC=C4I)C(=O)NCCO)C(C)C
InChI: InChI=1S/C34H44ClIN2O6/c1-21(2)26-13-8-22(3)16-30(26)43-20-32(40)38(19-23-9-11-25(35)12-10-23)28-17-24(34(42)37-14-15-39)18-31(33(28)41)44-29-7-5-4-6-27(29)36/h4-7,9-12,18,21-22,26,28,30-31,33,39,41H,8,13-17,19-20H2,1-3H3,(H,37,42)/t22-,26+,28+,30-,31-,33-/m0/s1
SMILES: C1=CC(=CC=C1N2C(=O)[C@@H]3[C@H](C2=O)N(N=N3)CC4=C(C=C(C=C4)F)Cl)Cl
InChI: InChI=1S/C17H11Cl2FN4O2/c18-10-2-5-12(6-3-10)24-16(25)14-15(17(24)26)23(22-21-14)8-9-1-4-11(20)7-13(9)19/h1-7,14-15H,8H2/t14-,15+/m0/s1
SMILES: CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C21H30N2O2/c1-16(24)19(14-17-8-3-2-4-9-17)22-21(25)15-23-13-7-11-18-10-5-6-12-20(18)23/h2-4,8-9,18-20H,5-7,10-15H2,1H3,(H,22,25)/p+1/t18-,19+,20+/m1/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O/C=C/CC3=CC4=CC=CC=C4N=C3)N(C)C)O)CC=O)C)\C)COCC=C
InChI: InChI=1S/C46H64N2O10/c1-9-21-54-28-36-23-29(3)17-18-38(50)30(4)24-35(19-20-49)44(31(5)39(51)26-41(52)57-40(36)10-2)58-46-43(53)42(48(7)8)45(32(6)56-46)55-22-13-14-33-25-34-15-11-12-16-37(34)47-27-33/h9,11-13,15-18,20,22-23,25,27,30-32,35-36,39-40,42-46,51,53H,1,10,14,19,21,24,26,28H2,2-8H3/b18-17+,22-13+,29-23+/t30-,31+,32-,35+,36-,39-,40-,42-,43-,44-,45-,46+/m1/s1
SMILES: CC1=C(SC(=N1)NC(=O)CCCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C17H21N3O3S/c1-10-11(2)24-17(18-10)19-14(21)8-5-9-20-15(22)12-6-3-4-7-13(12)16(20)23/h3-4,12-13H,5-9H2,1-2H3,(H,18,19,21)/t12-,13+
SMILES: C1CNC[C@@H]([C@]1(C2=CC=C(C=C2)Cl)OCC3=CC=CC=C3)OCC4=CC=C(C=C4)C#N
InChI: InChI=1S/C26H25ClN2O2/c27-24-12-10-23(11-13-24)26(31-19-21-4-2-1-3-5-21)14-15-29-17-25(26)30-18-22-8-6-20(16-28)7-9-22/h1-13,25,29H,14-15,17-19H2/t25-,26-/m0/s1
SMILES: CCCCCCNC(=O)C1=C2[C@H]([C@@H](C(=N2)C=C3C(=C(C(=CC4=NC(=CC5=C(C(=C1N5)C(=O)OC)C)[C@@H]([C@H]4C)CC)N3)C(=O)C)C)C)CCC(=O)OCCC
InChI: InChI=1S/C43H57N5O6/c1-10-13-14-15-18-44-42(51)39-40-29(16-17-36(50)54-19-11-2)24(5)31(47-40)20-32-25(6)37(27(8)49)35(46-32)22-30-23(4)28(12-3)34(45-30)21-33-26(7)38(41(39)48-33)43(52)53-9/h20-24,28-29,46,48H,10-19H2,1-9H3,(H,44,51)/t23-,24+,28-,29+/m1/s1
SMILES: C1CCC(=CC1)C#CC2=CN=C3N2C[C@@H]([C@@H]([C@H]3OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C36H36N2O3/c1-5-13-28(14-6-1)21-22-32-23-37-36-35(41-27-31-19-11-4-12-20-31)34(40-26-30-17-9-3-10-18-30)33(24-38(32)36)39-25-29-15-7-2-8-16-29/h2-4,7-13,15-20,23,33-35H,1,5-6,14,24-27H2/t33-,34-,35+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H19ClN2O3/c19-15-5-3-12(4-6-15)18-21-20-16(24-18)10-23-17(22)9-14-8-11-1-2-13(14)7-11/h3-6,11,13-14H,1-2,7-10H2/t11-,13+,14+/m0/s1
SMILES: CC(=O)O[C@@H]1CN2C[C@@H]([C@H]([C@@H]([C@@H]2[C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H25NO10/c1-8(20)25-13-6-19-7-14(26-9(2)21)17(28-11(4)23)18(29-12(5)24)15(19)16(13)27-10(3)22/h13-18H,6-7H2,1-5H3/t13-,14+,15+,16-,17-,18-/m1/s1
SMILES: CC(C)N1C(=O)[C@H]2[C@H](C1=O)[C@]([NH2+][C@H]2C3=C(C(=CC=C3)OC)O)(CCSC)C(=O)[O-]
InChI: InChI=1S/C20H26N2O6S/c1-10(2)22-17(24)13-14(18(22)25)20(19(26)27,8-9-29-4)21-15(13)11-6-5-7-12(28-3)16(11)23/h5-7,10,13-15,21,23H,8-9H2,1-4H3,(H,26,27)/t13-,14+,15-,20+/m0/s1
SMILES: CCN(CC)C(=O)[C@]1(C[C@H]1[C@H](CC(C)C)N=[N+]=[N-])C2=CC=CC=C2
InChI: InChI=1S/C19H28N4O/c1-5-23(6-2)18(24)19(15-10-8-7-9-11-15)13-16(19)17(21-22-20)12-14(3)4/h7-11,14,16-17H,5-6,12-13H2,1-4H3/t16-,17-,19+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H](C2=C[C@@H]3[C@H](O2)OC3(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI: InChI=1S/C24H20O3/c25-22(17-10-4-1-5-11-17)21-16-20-23(26-21)27-24(20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,20,22-23,25H/t20-,22-,23-/m1/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)Cl)O)OC)C(=O)N(C4=O)C6CCCCC6)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C34H33Cl2FN2O6/c1-34-22(31(42)39(33(34)44)18-8-11-25(37)23(35)14-18)15-21-19(28(34)16-12-24(36)29(40)26(13-16)45-2)9-10-20-27(21)32(43)38(30(20)41)17-6-4-3-5-7-17/h8-9,11-14,17,20-22,27-28,40H,3-7,10,15H2,1-2H3/t20-,21+,22-,27-,28-,34+/m0/s1
SMILES: C[C@H]1[C@H](C2=CC=C(O2)C/C(=C\C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)/C)O
InChI: InChI=1S/C27H35NO6S/c1-15-7-9-21(16(2)12-19-14-35-18(4)28-19)34-24(30)13-23(29)27(5,6)26(32)17(3)25(31)22-10-8-20(11-15)33-22/h7-8,10,12,14,17,21,23,25,29,31H,9,11,13H2,1-6H3/b15-7-,16-12+/t17-,21-,23-,25+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCC(CC3)C(=O)N)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)CC5=C(C=CC=C5Cl)F)C
InChI: InChI=1S/C36H46ClFN2O4/c1-23-5-4-15-35(2)30(12-16-36(35,44)22-40-17-13-25(14-18-40)34(39)43)27-11-9-24(19-26(41)10-8-23)20-28(27)33(42)21-29-31(37)6-3-7-32(29)38/h3,5-7,9,11,20,25-26,30,41,44H,4,8,10,12-19,21-22H2,1-2H3,(H2,39,43)/t26-,30-,35-,36+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=NN3C(=N2)S[C@H]4[C@]3(CC(CC4=O)(C)C)O
InChI: InChI=1S/C17H19N3O2S/c1-10-4-6-11(7-5-10)14-18-15-20(19-14)17(22)9-16(2,3)8-12(21)13(17)23-15/h4-7,13,22H,8-9H2,1-3H3/t13-,17+/m1/s1
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=C(N=C2N)F)Cl
InChI: InChI=1S/C11H12ClFN4O4/c12-4-6-5(10(14)16-9(4)13)15-2-17(6)11-8(20)7(19)3(1-18)21-11/h2-3,7-8,11,18-20H,1H2,(H2,14,16)/t3-,7-,8-,11-/m1/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CC[C@@H](C([C@@H]3CC2)(C)C)O)C
InChI: InChI=1S/C20H30O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h6,8,12-13,17-18,21H,7,9-11H2,1-5H3/t17-,18-,20+/m0/s1
SMILES: C1[C@H]2C=C(C=C[C@H]2C3=CC=CC=C31)C(=O)CC4=CC=CC=C4
InChI: InChI=1S/C21H18O/c22-21(12-15-6-2-1-3-7-15)17-10-11-20-18(14-17)13-16-8-4-5-9-19(16)20/h1-11,14,18,20H,12-13H2/t18-,20+/m0/s1
SMILES: C1CN(CCN1C[C@@H]2C[C@@H]3C[C@H]2C=C3)S(=O)(=O)CC4=CC=CC=C4
InChI: InChI=1S/C19H26N2O2S/c22-24(23,15-16-4-2-1-3-5-16)21-10-8-20(9-11-21)14-19-13-17-6-7-18(19)12-17/h1-7,17-19H,8-15H2/t17-,18+,19-/m0/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)O)CCCCO)CCCCO)O)N5C(=CN=N5)C(=O)O
InChI: InChI=1S/C29H38N4O8/c1-2-40-31-22-15-25(33-23(28(37)38)16-30-32-33)29(39)27-20(22)13-17(7-3-5-11-34)19(8-4-6-12-35)26(27)21-14-18(36)9-10-24(21)41-29/h9-10,13-14,16-17,19,25-27,34-36,39H,2-8,11-12,15H2,1H3,(H,37,38)/t17-,19+,25-,26+,27+,29+/m0/s1
SMILES: B1(O[C@@H]([C@H](O1)[C@@H](CO)O)[C@@H](CO)O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=NC=CN=C3
InChI: InChI=1S/C25H35BN4O8/c1-15(2)10-21(26-37-22(19(33)13-31)23(38-26)20(34)14-32)30-24(35)17(11-16-6-4-3-5-7-16)29-25(36)18-12-27-8-9-28-18/h3-9,12,15,17,19-23,31-34H,10-11,13-14H2,1-2H3,(H,29,36)(H,30,35)/t17-,19+,20+,21-,22+,23+/m0/s1
SMILES: C[C@H]1[C@@H](OC2=CC=CC=C2O1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI: InChI=1S/C17H13ClF3NO3/c1-9-15(25-14-5-3-2-4-13(14)24-9)16(23)22-12-8-10(17(19,20)21)6-7-11(12)18/h2-9,15H,1H3,(H,22,23)/t9-,15+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CN3C4=CC=CC5=C(C=CC(=C54)S3(=O)=O)CC[N+]67CC[N+](CC6)(CC7)CCCN=C(N)N)C(=O)O)[C@@H](C)O.[Cl-].[Cl-]
InChI: InChI=1S/C33H43N7O6S.2ClH/c1-20-24(30(32(43)44)38-29(20)27(21(2)41)31(38)42)19-37-25-6-3-5-23-22(7-8-26(28(23)25)47(37,45)46)9-12-40-16-13-39(14-17-40,15-18-40)11-4-10-36-33(34)35;;/h3,5-8,20-21,27,29,41H,4,9-19H2,1-2H3,(H3-2,34,35,36,43,44);2*1H/t20-,21+,27+,29+,39?,40?;;/m0../s1
SMILES: CC([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S[C@@]2(C[C@@H]([C@@H]([C@H](O2)C(C(CO)O)O)NC(=O)C)NC(=O)C)C(=O)O
InChI: InChI=1S/C20H34N2O13S/c1-6(16-14(29)13(28)15(30)18(31)34-16)36-20(19(32)33)4-9(21-7(2)24)11(22-8(3)25)17(35-20)12(27)10(26)5-23/h6,9-18,23,26-31H,4-5H2,1-3H3,(H,21,24)(H,22,25)(H,32,33)/t6?,9-,10?,11-,12?,13-,14+,15+,16+,17-,18+,20-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC(=O)NCC3=CC=CO3
InChI: InChI=1S/C18H22N4O6/c1-11-5-2-3-7-13(11)22-16(25)15(24)21(18(22)27)10-14(23)20-17(26)19-9-12-6-4-8-28-12/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3,(H2,19,20,23,26)/t11-,13+/m1/s1
SMILES: CC1=CC(=C2C(=C1)[C@@]3([C@H]4[C@@H]([C@@H](N3)CC5=CC=CC=C5)C(=O)NC4=O)C(=O)N2)C
InChI: InChI=1S/C22H21N3O3/c1-11-8-12(2)18-14(9-11)22(21(28)23-18)17-16(19(26)24-20(17)27)15(25-22)10-13-6-4-3-5-7-13/h3-9,15-17,25H,10H2,1-2H3,(H,23,28)(H,24,26,27)/t15-,16+,17-,22+/m0/s1
SMILES: C[C@@H]1C[C@]([C@@H](C[NH+]1C)C)(CC[NH2+]CC2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3
InChI: InChI=1S/C26H38N2O2/c1-20-19-28(3)21(2)16-26(20,17-22-9-7-6-8-10-22)13-14-27-18-23-11-12-24(29-4)25(15-23)30-5/h6-12,15,20-21,27H,13-14,16-19H2,1-5H3/p+2/t20-,21-,26-/m1/s1
SMILES: C1CCC(CC1)CNC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C17H25NO3/c19-16(18-10-11-4-2-1-3-5-11)14-12-6-8-13(9-7-12)15(14)17(20)21/h6,8,11-15H,1-5,7,9-10H2,(H,18,19)(H,20,21)/t12-,13+,14-,15+/m1/s1
SMILES: COC1=C(C=C(C=C1)C(=O)N/N=C/2\C[C@@H]3[C@@H]2CC=C3)OC
InChI: InChI=1S/C16H18N2O3/c1-20-14-7-6-11(9-15(14)21-2)16(19)18-17-13-8-10-4-3-5-12(10)13/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H,18,19)/b17-13+/t10-,12+/m1/s1
SMILES: CCNC(=O)NC(=O)COC(=O)CN1C(=O)[C@@]2(CCCC[C@H]2C)NC1=O
InChI: InChI=1S/C16H24N4O6/c1-3-17-14(24)18-11(21)9-26-12(22)8-20-13(23)16(19-15(20)25)7-5-4-6-10(16)2/h10H,3-9H2,1-2H3,(H,19,25)(H2,17,18,21,24)/t10-,16+/m1/s1
SMILES: C1C[C@@H](OC1)CN2C(=O)[C@@H]3C[C@H]([C@H](C[C@H]3C2=O)Br)Br
InChI: InChI=1S/C13H17Br2NO3/c14-10-4-8-9(5-11(10)15)13(18)16(12(8)17)6-7-2-1-3-19-7/h7-11H,1-6H2/t7-,8-,9-,10-,11+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N2C3=CC=C(C=C3)F)OC4=C(C=C(C=C4)Cl)C
InChI: InChI=1S/C23H19ClFNO2/c1-14-3-5-16(6-4-14)21-22(28-20-12-7-17(24)13-15(20)2)23(27)26(21)19-10-8-18(25)9-11-19/h3-13,21-22H,1-2H3/t21-,22+/m1/s1
SMILES: C[C@@H]1C[C@H]1C(=O)OCC(=O)NC2=C(C=CC(=C2)NC(=O)C)OC
InChI: InChI=1S/C16H20N2O5/c1-9-6-12(9)16(21)23-8-15(20)18-13-7-11(17-10(2)19)4-5-14(13)22-3/h4-5,7,9,12H,6,8H2,1-3H3,(H,17,19)(H,18,20)/t9-,12-/m1/s1
SMILES: C[C@]12CC3=C([C@H]([C@@H]1CC[C@@H]2OC(=O)C(C)(C)C)CCO)C4=CC=CC=C4S3
InChI: InChI=1S/C23H30O3S/c1-22(2,3)21(25)26-19-10-9-16-14(11-12-24)20-15-7-5-6-8-17(15)27-18(20)13-23(16,19)4/h5-8,14,16,19,24H,9-13H2,1-4H3/t14-,16-,19-,23-/m0/s1
SMILES: C[C@@H]1CCC2[C@H]([C@H](O[C@H]3[C@@]24C1CC[C@](O3)(OO4)C)OCC(NC(C)C)O)C
InChI: InChI=1S/C20H35NO6/c1-11(2)21-16(22)10-23-17-13(4)15-7-6-12(3)14-8-9-19(5)25-18(24-17)20(14,15)27-26-19/h11-18,21-22H,6-10H2,1-5H3/t12-,13-,14?,15?,16?,17+,18-,19-,20-/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CCC2[C@@]1(CCC3C2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18?,19?,20+,22?,23+,24-/m1/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC3=C(C=CC(=C3)C(=O)O)Cl
InChI: InChI=1S/C16H15ClN2O3/c1-9-6-12(9)15-5-3-11(22-15)8-18-19-14-7-10(16(20)21)2-4-13(14)17/h2-5,7-9,12,19H,6H2,1H3,(H,20,21)/b18-8-/t9-,12-/m0/s1
SMILES: C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16+,18+,19+,20+,21+,23-,24+/m0/s1
SMILES: CCN(CCCN)CCCN(CC)CCCNC(=O)[C@@H](CCCC(C)C)[C@H]1[C@@H]2CC[C@H]3[C@]4(CC[C@H]([C@H]([C@@H]4CC[C@@]3([C@]2(C[C@@H]1OC(=O)C)C)C)C)O)C
InChI: InChI=1S/C44H82N4O4/c1-10-47(26-13-24-45)28-15-29-48(11-2)27-14-25-46-41(51)34(17-12-16-31(3)4)40-36-18-19-39-42(7)22-21-37(50)32(5)35(42)20-23-43(39,8)44(36,9)30-38(40)52-33(6)49/h31-32,34-40,50H,10-30,45H2,1-9H3,(H,46,51)/t32-,34-,35-,36-,37+,38-,39-,40-,42-,43-,44-/m0/s1
SMILES: C1CN2C=CC(=C2[C@@H]1NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)CO
InChI: InChI=1S/C18H22N6O5/c25-5-9-1-3-23-4-2-10(13(9)23)22-16-12-17(20-7-19-16)24(8-21-12)18-15(28)14(27)11(6-26)29-18/h1,3,7-8,10-11,14-15,18,25-28H,2,4-6H2,(H,19,20,22)/t10-,11-,14-,15-,18-/m1/s1
SMILES: [3H]C1=C(C=C(C=C1)C(F)(F)F)OC[C@@H](/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)OC(C)C)O)O)O
InChI: InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21-,22-,23+,24-/m1/s1/i9T
SMILES: CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC=CC=C3)O)O)O)O)O
InChI: InChI=1S/C29H42O13/c1-2-3-4-5-9-12-21(31)39-16-20-24(34)27(37)29(17-30,41-20)42-28-26(36)25(35)23(33)19(40-28)15-38-22(32)14-13-18-10-7-6-8-11-18/h6-8,10-11,13-14,19-20,23-28,30,33-37H,2-5,9,12,15-17H2,1H3/b14-13+/t19-,20-,23-,24-,25+,26-,27+,28-,29+/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCCC5=CSC6=CC=CC=C65)COCCCCCN
InChI: InChI=1S/C42H49NO6S/c43-24-13-4-14-25-44-30-37-39(46-27-32-15-5-1-6-16-32)40(47-28-33-17-7-2-8-18-33)41(48-29-34-19-9-3-10-20-34)42(49-37)45-26-23-35-31-50-38-22-12-11-21-36(35)38/h1-3,5-12,15-22,31,37,39-42H,4,13-14,23-30,43H2/t37-,39-,40+,41-,42-/m1/s1
SMILES: CC1(O[C@@H]2C[C@]3(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)C(=C[C@H]2O1)C(=O)O)C
InChI: InChI=1S/C24H23NO5/c1-23(2)29-19-12-17(21(26)27)24(13-20(19)30-23)16-10-6-7-11-18(16)25(22(24)28)14-15-8-4-3-5-9-15/h3-12,19-20H,13-14H2,1-2H3,(H,26,27)/t19-,20-,24+/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](OC(=O)[C@H]3N2[C@@H]([C@@]4([C@@H]3C(=O)O)C5=C(C=CC(=C5)C#CCN6C7=CC=CC=C7N=N6)N(C4=O)C(=O)OCC8=CC=C(C=C8)[N+](=O)[O-])C9=CC=C(C=C9)O)C1=CC=CC=C1
InChI: InChI=1S/C50H36N6O10/c57-36-24-20-34(21-25-36)45-50(41(46(58)59)43-47(60)66-44(33-13-5-2-6-14-33)42(55(43)45)32-11-3-1-4-12-32)37-28-30(10-9-27-53-40-16-8-7-15-38(40)51-52-53)19-26-39(37)54(48(50)61)49(62)65-29-31-17-22-35(23-18-31)56(63)64/h1-8,11-26,28,41-45,57H,27,29H2,(H,58,59)/t41-,42-,43-,44+,45+,50-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C5=CC=C(C=C5)C(=O)OCCCCCCCC(=O)O[C@H](COC(=O)C)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI: InChI=1S/C46H62NO20P/c1-25-18-35-44(57,38(25)52)20-29(21-48)19-33-37-43(5,6)46(37,67-28(4)50)39(26(2)45(33,35)58)66-42(56)31-15-13-30(14-16-31)41(55)61-17-11-9-7-8-10-12-36(51)65-32(22-62-27(3)49)23-63-68(59,60)64-24-34(47)40(53)54/h13-16,18-19,26,32-35,37,39,48,57-58H,7-12,17,20-24,47H2,1-6H3,(H,53,54)(H,59,60)/t26-,32-,33+,34+,35-,37-,39-,44-,45-,46-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)OC(=O)C)OCC2=CCC[C@@]3(C24C[C@@H](CC3)C(O4)(C)C)C)OC(=O)C
InChI: InChI=1S/C28H40O11/c1-15(29)34-21-22(35-16(2)30)24(38-25(37-18(4)32)23(21)36-17(3)31)33-14-20-9-8-11-27(7)12-10-19-13-28(20,27)39-26(19,5)6/h9,19,21-25H,8,10-14H2,1-7H3/t19-,21-,22-,23+,24-,25+,27+,28?/m1/s1
SMILES: COC1=CC(=CC(=C1OC(=O)OCC2=CC=CC=C2)OC)[C@H]3[C@@H]4[C@H](COC4=O)[C@@H](C5=CC6=C(C=C35)OCO6)O[C@H]7C[C@@H]([C@@H]([C@H](O7)COC(=O)CCl)OC(=O)CCl)N=[N+]=[N-]
InChI: InChI=1S/C39H37Cl2N3O15/c1-49-27-8-20(9-28(50-2)37(27)59-39(48)53-15-19-6-4-3-5-7-19)33-21-10-25-26(55-18-54-25)11-22(21)35(23-16-52-38(47)34(23)33)58-32-12-24(43-44-42)36(57-31(46)14-41)29(56-32)17-51-30(45)13-40/h3-11,23-24,29,32-36H,12-18H2,1-2H3/t23-,24-,29+,32-,33+,34-,35+,36-/m0/s1
SMILES: CCC1=CC=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)O)OC)Cl)C7=CC=C(C=C7)F)Cl
InChI: InChI=1S/C37H31Cl2FN2O6/c1-3-20-4-10-23(11-5-20)41-32(44)26-15-14-25-27(31(26)33(41)45)19-36(38)34(46)42(24-12-8-22(40)9-13-24)35(47)37(36,39)28(25)16-6-21-7-17-29(43)30(18-21)48-2/h4-14,16-18,26-28,31,43H,3,15,19H2,1-2H3/t26-,27+,28-,31-,36+,37-/m0/s1
SMILES: CCN(CC)CC.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]
InChI: InChI=1S/C10H16N5O12P3.C6H15N/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(25-8)4-28(18,19)26-30(23,24)27-29(20,21)22;1-4-7(5-2)6-3/h3,6-8H,2,4H2,1H3,(H,18,19)(H,23,24)(H,12,16,17)(H2,20,21,22);4-6H2,1-3H3/t6-,7+,8+;/m0./s1
SMILES: COCCC1=NC2=C(N1CCCCNC(=O)[C@@H]3C[C@H]3C4=CC=CC=C4)C5=CC=CC=C5N=C2N
InChI: InChI=1S/C27H31N5O2/c1-34-16-13-23-31-24-25(19-11-5-6-12-22(19)30-26(24)28)32(23)15-8-7-14-29-27(33)21-17-20(21)18-9-3-2-4-10-18/h2-6,9-12,20-21H,7-8,13-17H2,1H3,(H2,28,30)(H,29,33)/t20-,21+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=C(C6=CC=CC=C56)O)C(=O)N(C4=O)C(=O)N)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C32H25ClFN3O6/c1-32-21(28(40)36(30(32)42)14-6-10-23(34)22(33)12-14)13-20-18(7-8-19-25(20)29(41)37(27(19)39)31(35)43)26(32)17-9-11-24(38)16-5-3-2-4-15(16)17/h2-7,9-12,19-21,25-26,38H,8,13H2,1H3,(H2,35,43)/t19-,20+,21-,25-,26-,32+/m0/s1
SMILES: B([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)([C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)O[C@@H](CC=C)C5=CC=CS5
InChI: InChI=1S/C28H43BOS/c1-8-10-25(26-11-9-12-31-26)30-29(23-15-19-13-21(17(23)2)27(19,4)5)24-16-20-14-22(18(24)3)28(20,6)7/h8-9,11-12,17-25H,1,10,13-16H2,2-7H3/t17-,18-,19+,20+,21-,22-,23-,24-,25+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H](C(=O)N(C1=O)C3=CC=C(C=C3)OC)C(=O)OC4=CC=CC=C24
InChI: InChI=1S/C20H17NO5/c1-11-16-14-5-3-4-6-15(14)26-20(24)17(16)19(23)21(18(11)22)12-7-9-13(25-2)10-8-12/h3-11,16-17H,1-2H3/t11-,16-,17+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(=O)C
InChI: InChI=1S/C12H19N2O14P3/c1-6-4-14(12(17)13-11(6)16)10-3-8(7(2)15)9(26-10)5-25-30(21,22)28-31(23,24)27-29(18,19)20/h4,8-10H,3,5H2,1-2H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/t8-,9-,10-/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5OC
InChI: InChI=1S/C25H22N2O4/c1-16-9-8-12-18(15-16)26-24(28)21-22(19-13-6-7-14-20(19)30-2)27(31-23(21)25(26)29)17-10-4-3-5-11-17/h3-15,21-23H,1-2H3/t21-,22-,23+/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)OC(F)(F)F)C4=CC=C(C=C4)Br
InChI: InChI=1S/C19H15BrF3NO/c20-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(25-19(21,22)23)8-9-17(16)24-18/h1-2,4-10,14-15,18,24H,3H2/t14-,15+,18-/m0/s1