EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)OC(=O)C[C@H]1[C@H](CN([C@@H]1C(=O)OC)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C25H29NO5/c1-25(2,3)31-21(27)15-19-20(17-11-7-5-8-12-17)16-26(22(19)24(29)30-4)23(28)18-13-9-6-10-14-18/h5-14,19-20,22H,15-16H2,1-4H3/t19-,20+,22-/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([Se+]1C[C@@H]([C@@H](CO)OS(=O)(=O)[O-])O)[C@H](CO)O)O)O
InChI: InChI=1S/C10H20O10SSe/c11-1-5(13)10-9(16)7(15)4-22(10)3-6(14)8(2-12)20-21(17,18)19/h5-16H,1-4H2/t5-,6-,7-,8+,9+,10-,22?/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)NC(=O)C4=CN=CC=C4)CN5CCCCCCC5
InChI: InChI=1S/C32H39N3O4/c1-23-29(21-35-18-5-3-2-4-6-19-35)38-32(39-30(23)25-11-9-24(22-36)10-12-25)26-13-15-28(16-14-26)34-31(37)27-8-7-17-33-20-27/h7-17,20,23,29-30,32,36H,2-6,18-19,21-22H2,1H3,(H,34,37)/t23-,29+,30+,32+/m0/s1
SMILES: CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C18H23BrN2O2/c1-21(11-17(22)20-16-5-3-2-4-15(16)19)18(23)10-14-9-12-6-7-13(14)8-12/h2-5,12-14H,6-11H2,1H3,(H,20,22)/t12-,13+,14-/m0/s1
SMILES: C1C=C2[C@H](CN1C(=O)OCC3=CC=CC=C3)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C26H20ClN5O2/c27-19-8-4-7-18(11-19)23-22-13-32(25(33)34-14-17-5-2-1-3-6-17)10-9-20(22)21(12-28)24(31)26(23,15-29)16-30/h1-9,11,22-23H,10,13-14,31H2/t22-,23-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)C[C@H]2[C@@H]([C@H](O2)COCC3=CC=CC=C3)COCC4=CC=CC=C4
InChI: InChI=1S/C25H28N2O5/c1-18-12-27(25(29)26-24(18)28)13-22-21(16-30-14-19-8-4-2-5-9-19)23(32-22)17-31-15-20-10-6-3-7-11-20/h2-12,21-23H,13-17H2,1H3,(H,26,28,29)/t21-,22-,23+/m0/s1
SMILES: C[C@]12CCC(=O)C=C1C(=C)C[C@@H]3C2=CC[C@]4([C@H]3CCC4=O)C
InChI: InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h7,11,14-15H,1,4-6,8-10H2,2-3H3/t14-,15-,19+,20-/m0/s1
SMILES: C1=CC=C(C=C1)S[13CH]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N=[N+]=[N-]
InChI: InChI=1S/C12H15N3O4S/c13-15-14-9-11(18)10(17)8(6-16)19-12(9)20-7-4-2-1-3-5-7/h1-5,8-12,16-18H,6H2/t8-,9-,10-,11-,12?/m1/s1/i12+1
SMILES: C[C@H](C(=O)N1CCC2=CC=CC=C21)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C20H28N2O/c1-15(21-12-10-16-6-2-3-8-18(16)14-21)20(23)22-13-11-17-7-4-5-9-19(17)22/h4-5,7,9,15-16,18H,2-3,6,8,10-14H2,1H3/t15-,16+,18-/m1/s1
SMILES: CC1=C(C=CC2=C1N[C@H]([C@H]3[C@H]2C=CC3)C4=CC(=CC=C4)OC)C(=O)O
InChI: InChI=1S/C21H21NO3/c1-12-15(21(23)24)9-10-18-16-7-4-8-17(16)20(22-19(12)18)13-5-3-6-14(11-13)25-2/h3-7,9-11,16-17,20,22H,8H2,1-2H3,(H,23,24)/t16-,17-,20+/m1/s1
SMILES: C[C@H]1CCC/C=C/C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C3=CC=CC=C3)/C
InChI: InChI=1S/C31H41NO5S/c1-20-13-9-6-7-12-16-25(21(2)17-24-19-38-30(32-24)23-14-10-8-11-15-23)37-27(34)18-26(33)31(4,5)29(36)22(3)28(20)35/h7-8,10-12,14-15,17,19-20,22,25-26,28,33,35H,6,9,13,16,18H2,1-5H3/b12-7+,21-17+/t20-,22+,25-,26-,28-/m0/s1
SMILES: C1=CC=C(C=C1)C[C@H]2[C@@H](OC(=N2)C3=CC=CC=C3)CC(=O)O
InChI: InChI=1S/C18H17NO3/c20-17(21)12-16-15(11-13-7-3-1-4-8-13)19-18(22-16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,20,21)/t15-,16-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H]([C@@H]([C@H](O2)N3C=NC4=C(N=CN=C43)N)O)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H21N5O6/c25-20-17-21(27-12-26-20)29(13-28-17)22-18(30)19(35-24(32)15-9-5-2-6-10-15)16(34-22)11-33-23(31)14-7-3-1-4-8-14/h1-10,12-13,16,18-19,22,30H,11H2,(H2,25,26,27)/t16-,18-,19-,22-/m0/s1
SMILES: C[C@H]1[C@@H]2CCC(=C)[C@@H]3C[C@@H]([C@@]([C@@H]3[C@H]2OC1=O)(C)O)[Se]C4=CC=CC=C4
InChI: InChI=1S/C21H26O3Se/c1-12-9-10-15-13(2)20(22)24-19(15)18-16(12)11-17(21(18,3)23)25-14-7-5-4-6-8-14/h4-8,13,15-19,23H,1,9-11H2,2-3H3/t13-,15-,16-,17-,18-,19-,21+/m0/s1
SMILES: CS[C@@H]1[C@@H](C(=O)N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H22N2OS/c1-27-22-20(21(26)24-22)25-23(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20,22,25H,1H3,(H,24,26)/t20-,22-/m1/s1
SMILES: C1C[C@H]([C@H](NC1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.Cl
InChI: InChI=1S/C20H19F6NO.ClH/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14;/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2;1H/t17-,18-;/m1./s1
SMILES: C1=CC(=CC=C1N[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)OC(F)(F)Cl
InChI: InChI=1S/C13H16ClF2NO6/c14-13(15,16)23-7-3-1-6(2-4-7)17-12-11(21)10(20)9(19)8(5-18)22-12/h1-4,8-12,17-21H,5H2/t8-,9+,10+,11-,12-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H]2[C@@H]1[C@@H]([C@@H](C(=C2)C)C#C)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C40H60O2Si2/c1-13-35-32(9)26-36-38(42-43(28(2)3,29(4)5)30(6)7)25-24-31(8)39(36)37(35)27-41-44(40(10,11)12,33-20-16-14-17-21-33)34-22-18-15-19-23-34/h1,14-23,26,28-31,35-39H,24-25,27H2,2-12H3/t31-,35+,36-,37+,38-,39+/m0/s1
SMILES: C1[C@H](CO[C@H]([C@@H]1C/C=C/C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C(C4=CC=C(C=C4)O)O
InChI: InChI=1S/C27H28O5/c28-23-10-4-18(5-11-23)2-1-3-21-16-22(26(31)19-6-12-24(29)13-7-19)17-32-27(21)20-8-14-25(30)15-9-20/h1-2,4-15,21-22,26-31H,3,16-17H2/b2-1+/t21-,22-,26?,27+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C18H24N2O6/c1-12-6-5-7-14(13(12)2)19-17(21)10-26-18(22)11-25-16-9-4-3-8-15(16)20(23)24/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,21)/t12-,13+,14-/m1/s1
SMILES: C[C@]1(CC(=O)[C@H]([C@@H]([C@@H]1C(=O)OC)C2=CC(=CC=C2)OC)C(=O)OC)O
InChI: InChI=1S/C18H22O7/c1-18(22)9-12(19)14(16(20)24-3)13(15(18)17(21)25-4)10-6-5-7-11(8-10)23-2/h5-8,13-15,22H,9H2,1-4H3/t13-,14+,15+,18+/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1C[C@@H]([C@H](O[C@@]1(C)[C@@H](C[C@@H]2OC[C@@H]3[C@@H](O2)C=CCO3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C46H64O8Si/c1-33(2)55(34(3)4,35(5)6)54-44-26-40(49-29-37-20-13-9-14-21-37)42(31-47-28-36-18-11-8-12-19-36)53-46(44,7)43(50-30-38-22-15-10-16-23-38)27-45-51-32-41-39(52-45)24-17-25-48-41/h8-24,33-35,39-45H,25-32H2,1-7H3/t39-,40-,41+,42+,43+,44+,45+,46-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18+,19-,20-,21-/m0/s1
SMILES: C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O.Cl
InChI: InChI=1S/C19H34N8O8.ClH/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19;/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27);1H/t7-,8+,9+,11+,12-,13+,14-,15-,17+;/m0./s1
SMILES: CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC(=O)N3CCC[C@H]4[C@@H]3CCCC4
InChI: InChI=1S/C22H25N3O4/c1-15-20(17(13-23)21(29-15)24-10-4-5-11-24)22(27)28-14-19(26)25-12-6-8-16-7-2-3-9-18(16)25/h4-5,10-11,16,18H,2-3,6-9,12,14H2,1H3/t16-,18-/m0/s1
SMILES: C[C@H]1CCN([C@H]([C@@]1(C2=CC=CC=C2)O)C)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C5=NN=CC=C5
InChI: InChI=1S/C28H30F2N4O2/c1-18-12-14-34(19(2)28(18,36)20-7-4-3-5-8-20)27(35)24-17-33(26-9-6-13-31-32-26)16-23(24)22-11-10-21(29)15-25(22)30/h3-11,13,15,18-19,23-24,36H,12,14,16-17H2,1-2H3/t18-,19-,23-,24+,28-/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H](N1C(=O)OCC2=CC=CC=C2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C28H31NO6/c30-17-24-26(33-18-21-10-4-1-5-11-21)27(34-19-22-12-6-2-7-13-22)25(31)16-29(24)28(32)35-20-23-14-8-3-9-15-23/h1-15,24-27,30-31H,16-20H2/t24-,25+,26-,27-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C21H25NO8/c1-11-3-5-12(6-4-11)17(25)14-8-7-13(22(14)2)9-16(24)30-21-20(28)19(27)18(26)15(10-23)29-21/h3-8,15,18-21,23,26-28H,9-10H2,1-2H3/t15-,18-,19+,20-,21+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C([C@@H]2COC[C@H]2C(C3=CC=CC=C3)OC)OC
InChI: InChI=1S/C23H30O6/c1-24-19-11-16(12-20(25-2)23(19)28-5)22(27-4)18-14-29-13-17(18)21(26-3)15-9-7-6-8-10-15/h6-12,17-18,21-22H,13-14H2,1-5H3/t17-,18-,21?,22?/m1/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OC3CC4=CC=CC=C4C3)C5=CC=CC=N5)C)O
InChI: InChI=1S/C28H32N2O3/c1-19(31)28(2)18-30(27-10-6-7-13-29-27)17-24(28)22-11-12-25(32-3)26(16-22)33-23-14-20-8-4-5-9-21(20)15-23/h4-13,16,19,23-24,31H,14-15,17-18H2,1-3H3/t19-,24+,28+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)OC3(O2)C4=CC=CC=C4N(C3=O)CN5CCN(CC5)C6=CC=C(C=C6)F
InChI: InChI=1S/C25H28FN3O3/c26-18-9-11-19(12-10-18)28-15-13-27(14-16-28)17-29-21-6-2-1-5-20(21)25(24(29)30)31-22-7-3-4-8-23(22)32-25/h1-2,5-6,9-12,22-23H,3-4,7-8,13-17H2/t22-,23-/m1/s1
SMILES: CC[C@H]1[C@H]2[C@H](C(=O)N(C1=O)C3=CC=C(C=C3)C)C(=O)OC4=CC=CC=C24
InChI: InChI=1S/C21H19NO4/c1-3-14-17-15-6-4-5-7-16(15)26-21(25)18(17)20(24)22(19(14)23)13-10-8-12(2)9-11-13/h4-11,14,17-18H,3H2,1-2H3/t14-,17+,18+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)O[P@@](=O)(C2=CC=CC=C2)NC3=NC=CS3)C(C)C
InChI: InChI=1S/C19H27N2O2PS/c1-14(2)17-10-9-15(3)13-18(17)23-24(22,16-7-5-4-6-8-16)21-19-20-11-12-25-19/h4-8,11-12,14-15,17-18H,9-10,13H2,1-3H3,(H,20,21,22)/t15-,17+,18+,24-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H](C(O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OS(=O)(=O)O)O)O)O)O
InChI: InChI=1S/C20H35NO18S/c1-5-10(25)12(27)13(28)19(34-5)38-16-9(21-6(2)24)18(30)35-8(4-23)15(16)37-20-14(29)17(39-40(31,32)33)11(26)7(3-22)36-20/h5,7-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)(H,31,32,33)/t5-,7+,8+,9+,10+,11-,12+,13-,14+,15+,16+,17-,18?,19?,20-/m0/s1
SMILES: COC1=CC=CC2=C1N[C@@H]([C@H]3[C@H]2C=CC3)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C20H19NO3/c1-24-17-7-3-6-16-14-4-2-5-15(14)18(21-19(16)17)12-8-10-13(11-9-12)20(22)23/h2-4,6-11,14-15,18,21H,5H2,1H3,(H,22,23)/t14-,15-,18-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1[Se]C2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H25NO8Se/c1-11(22)21-17-19(28-14(4)25)18(27-13(3)24)16(10-26-12(2)23)29-20(17)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3,(H,21,22)/t16-,17-,18+,19-,20-/m1/s1
SMILES: CC(CCC(=O)N(C)OC)C1CCC2C1(CCC3C2C[C@@H]([C@H]4C3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C26H45NO4/c1-16(6-9-24(30)27(4)31-5)19-7-8-20-18-15-23(29)22-14-17(28)10-12-26(22,3)21(18)11-13-25(19,20)2/h16-23,28-29H,6-15H2,1-5H3/t16?,17-,18?,19?,20?,21?,22+,23+,25?,26?/m1/s1
SMILES: COC(C12[C@@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=CC=C6)Cl)OC
InChI: InChI=1S/C27H22ClNO4/c1-32-26(33-2)27-19-12-5-3-10-17(19)21(18-11-4-6-13-20(18)27)22-23(27)25(31)29(24(22)30)16-9-7-8-15(28)14-16/h3-14,21-23,26H,1-2H3/t21?,22-,23-,27?/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@H]2[C@]1(CC=C([C@@H]2O)C)O)C(C)C
InChI: InChI=1S/C15H26O2/c1-9(2)12-6-5-11(4)15(17)8-7-10(3)14(16)13(12)15/h7,9,11-14,16-17H,5-6,8H2,1-4H3/t11-,12+,13-,14+,15-/m1/s1
SMILES: CCC(CC)(C(CC[C@@H](C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(F)F)O
InChI: InChI=1S/C29H46F2O2/c1-6-28(33,7-2)29(30,31)18-16-21(4)25-14-15-26-22(9-8-17-27(25,26)5)11-12-23-19-24(32)13-10-20(23)3/h11-12,21,24-26,32-33H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24+,25-,26?,27-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N2CC(=O)NC3=CC=CC=C32
InChI: InChI=1S/C18H25N3O2/c1-12-7-3-4-8-14(12)19-13(2)18(23)21-11-17(22)20-15-9-5-6-10-16(15)21/h5-6,9-10,12-14,19H,3-4,7-8,11H2,1-2H3,(H,20,22)/p+1/t12-,13+,14+/m1/s1
SMILES: CC(C)[N+]1=CN(C(=C1)C2=CC=CC=C2)[C@@H]3CCCC[C@H]3NP(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C30H35N3P/c1-24(2)32-22-30(25-14-6-3-7-15-25)33(23-32)29-21-13-12-20-28(29)31-34(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,14-19,22-24,28-29,31H,12-13,20-21H2,1-2H3/q+1/t28-,29-/m1/s1
SMILES: CCN1[C@H](C2=CC=CC=C2[C@H]3[C@@H]1ON=C3C4=CC=C(C=C4)OC)C
InChI: InChI=1S/C20H22N2O2/c1-4-22-13(2)16-7-5-6-8-17(16)18-19(21-24-20(18)22)14-9-11-15(23-3)12-10-14/h5-13,18,20H,4H2,1-3H3/t13-,18+,20-/m0/s1
SMILES: CC1=CC(=CC=C1)[C@@H]2[C@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)C(=O)NCCC(=O)[O-]
InChI: InChI=1S/C23H24N2O3/c1-14-4-2-5-15(12-14)22-18-7-3-6-17(18)19-13-16(8-9-20(19)25-22)23(28)24-11-10-21(26)27/h2-6,8-9,12-13,17-18,22,25H,7,10-11H2,1H3,(H,24,28)(H,26,27)/p-1/t17-,18-,22+/m0/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)SC)OCC=C)CCCCO)CCCCO)C(=O)CC6=CC(=CC=C6)OC
InChI: InChI=1S/C50H66N2O8S/c1-8-25-52(46(55)30-34-15-14-17-37(29-34)56-6)45-33-43(51-60-49(3,4)5)41-31-35(16-10-12-26-53)40(18-11-13-27-54)47-42-32-38(58-36-19-22-39(61-7)23-20-36)21-24-44(42)59-50(45,48(41)47)57-28-9-2/h9,14-15,17,19-24,29,31-32,35,40,45,47-48,53-54H,2,8,10-13,16,18,25-28,30,33H2,1,3-7H3/t35-,40+,45-,47+,48+,50+/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@@H](COS(=O)(=O)C)OS(=O)(=O)C)[C@@H](CO)O)C
InChI: InChI=1S/C11H22O10S2/c1-11(2)19-9(7(13)5-12)10(20-11)8(21-23(4,16)17)6-18-22(3,14)15/h7-10,12-13H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1
SMILES: C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC
InChI: InChI=1S/C19H23NO8/c1-11-6-16(21)13(15(11)9-20(24)25)8-19(23)28-10-17(22)14-7-12(26-2)4-5-18(14)27-3/h4-5,7,11,13,15H,6,8-10H2,1-3H3/t11-,13-,15+/m0/s1
SMILES: CC1=C(C=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)Br)O)OC)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl)Cl
InChI: InChI=1S/C40H29BrCl3F3N4O6/c1-17-3-8-22(14-28(17)43)50-35(53)24-10-9-23-25(31(24)37(50)55)15-26-36(54)51(49-34-29(44)13-20(16-48-34)40(45,46)47)38(56)39(26,19-4-6-21(42)7-5-19)32(23)18-11-27(41)33(52)30(12-18)57-2/h3-9,11-14,16,24-26,31-32,52H,10,15H2,1-2H3,(H,48,49)/t24-,25+,26-,31-,32-,39+/m0/s1
SMILES: C[C@H]1CC[C@]2([C@@]1(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)CO)C
InChI: InChI=1S/C27H48O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-27(17-28)20(4)12-15-26(27,6)24(21)13-14-25(22,23)5/h18-24,28H,7-17H2,1-6H3/t19-,20+,21+,22-,23+,24+,25-,26-,27+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCOC)[C@]3(N1)C4=CC(=CC(=C4NC3=O)C)C
InChI: InChI=1S/C19H23N3O4/c1-9-7-10(2)15-12(8-9)19(18(25)20-15)14-13(11(3)21-19)16(23)22(17(14)24)5-6-26-4/h7-8,11,13-14,21H,5-6H2,1-4H3,(H,20,25)/t11-,13-,14+,19-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)[C@H]2[C@@H]3CC[C@H]2[C@@H](C3)OC
InChI: InChI=1S/C16H23NO/c1-17(2)13-7-4-11(5-8-13)16-12-6-9-14(16)15(10-12)18-3/h4-5,7-8,12,14-16H,6,9-10H2,1-3H3/t12-,14+,15-,16+/m1/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SCCC(F)(F)F)NCC(F)(F)F
InChI: InChI=1S/C15H18F6N5O7PS/c16-14(17,18)1-2-35-13-24-10(22-4-15(19,20)21)7-11(25-13)26(5-23-7)12-9(28)8(27)6(33-12)3-32-34(29,30)31/h5-6,8-9,12,27-28H,1-4H2,(H,22,24,25)(H2,29,30,31)/t6-,8-,9-,12-/m1/s1
SMILES: CCN[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC(=O)[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NCCN(CC)CC)C)C
InChI: InChI=1S/C32H57N3O2/c1-7-33-24-16-17-31(5)23(20-24)11-12-25-27-14-13-26(32(27,6)29(36)21-28(25)31)22(4)10-15-30(37)34-18-19-35(8-2)9-3/h22-28,33H,7-21H2,1-6H3,(H,34,37)/t22-,23-,24+,25+,26-,27+,28+,31+,32-/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@H]1CN(CC2=NN(C(=C2)C)C)C(=O)C3=CC4=C(C=C3)OCC4
InChI: InChI=1S/C22H27N3O4/c1-4-28-22(27)19-11-17(19)12-25(13-18-9-14(2)24(3)23-18)21(26)16-5-6-20-15(10-16)7-8-29-20/h5-6,9-10,17,19H,4,7-8,11-13H2,1-3H3/t17-,19-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@@H](CC2C1C[C@@H]3C4=C(CCN3C2)C5=C(N4)C=C(C=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)OC
InChI: InChI=1S/C33H40N2O9/c1-17(36)43-30-23-15-25-29-22(21-8-7-20(38-2)14-24(21)34-29)9-10-35(25)16-19(23)13-28(32(30)42-6)44-33(37)18-11-26(39-3)31(41-5)27(12-18)40-4/h7-8,11-12,14,19,23,25,28,30,32,34H,9-10,13,15-16H2,1-6H3/t19?,23?,25-,28-,30+,32-/m1/s1
SMILES: C/C/1=C/[C@@H]2C[C@]3([C@@H]([C@@H]2/C=C\CC1)O[C@H]4[C@@H]3OC(O4)(C)C)OCC5=CC=CC=C5
InChI: InChI=1S/C24H30O4/c1-16-9-7-8-12-19-18(13-16)14-24(25-15-17-10-5-4-6-11-17)20(19)26-22-21(24)27-23(2,3)28-22/h4-6,8,10-13,18-22H,7,9,14-15H2,1-3H3/b12-8-,16-13-/t18-,19-,20-,21+,22-,24-/m1/s1
SMILES: CCOC(=O)CC[C@@]1(C[C@@H]2[C@H]([C@@H](C1)OC(=O)/C=C/C3=CC=C(C=C3)O)OC4(O2)CCCCC4)OCOCC[Si](C)(C)C
InChI: InChI=1S/C32H48O9Si/c1-5-37-28(34)15-18-31(38-23-36-19-20-42(2,3)4)21-26(39-29(35)14-11-24-9-12-25(33)13-10-24)30-27(22-31)40-32(41-30)16-7-6-8-17-32/h9-14,26-27,30,33H,5-8,15-23H2,1-4H3/b14-11+/t26-,27-,30+,31-/m1/s1
SMILES: C1CCN(CC1)[C@@H]2CC[C@@H]3CC[C@H]2[C@H]3OC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C20H28N2O2/c23-20(21-16-7-3-1-4-8-16)24-19-15-9-11-17(19)18(12-10-15)22-13-5-2-6-14-22/h1,3-4,7-8,15,17-19H,2,5-6,9-14H2,(H,21,23)/t15-,17+,18+,19-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C20H29NO5/c1-13-7-5-6-8-16(13)21-20(23)14(2)26-19(22)12-15-9-10-17(24-3)18(11-15)25-4/h9-11,13-14,16H,5-8,12H2,1-4H3,(H,21,23)/t13-,14-,16-/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCC4=CC=CC=C4)N=C(S3)NC(=O)C5=CC=C(C=C5)C(C)(C)C)(C)CO)O
InChI: InChI=1S/C34H43N3O4S/c1-32(2,3)23-13-11-22(12-14-23)30(41)37-31-36-29-24(17-28(40)35-19-21-9-7-6-8-10-21)33(4)16-15-27(39)34(5,20-38)26(33)18-25(29)42-31/h6-14,24,26-27,38-39H,15-20H2,1-5H3,(H,35,40)(H,36,37,41)/t24-,26+,27-,33+,34+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3[C@@H]2C4=CC(=O)CC[C@@]4([C@@H]5[C@@H]3[C@@H]6CCC(=O)[C@]6(CC5)C)C
InChI: InChI=1S/C26H31NO4S/c1-15-4-6-17(7-5-15)32(30,31)27-23-20-14-16(28)10-12-25(20,2)19-11-13-26(3)18(8-9-21(26)29)22(19)24(23)27/h4-7,14,18-19,22-24H,8-13H2,1-3H3/t18-,19-,22-,23-,24+,25+,26-,27?/m0/s1
SMILES: C[C@@]1(CC[C@H](O1)[C@@](C)(CC[C@@H]2C(OC(O2)(C)C)(C)C)O)[C@@H]3CC[C@H](O3)[C@@](C)(CC[C@H]4[C@](O4)(C)CCC=C)O
InChI: InChI=1S/C31H54O7/c1-10-11-17-30(8)25(37-30)15-19-28(6,32)22-12-13-24(34-22)31(9)20-16-23(36-31)29(7,33)18-14-21-26(2,3)38-27(4,5)35-21/h10,21-25,32-33H,1,11-20H2,2-9H3/t21-,22+,23+,24+,25+,28-,29-,30+,31-/m1/s1
SMILES: CCC1=CC=C(C=C1)NC(=O)CN2[C@@H]3[C@H](C(=O)N(C3=O)C4=CC(=C(C=C4)F)F)N=N2
InChI: InChI=1S/C20H17F2N5O3/c1-2-11-3-5-12(6-4-11)23-16(28)10-26-18-17(24-25-26)19(29)27(20(18)30)13-7-8-14(21)15(22)9-13/h3-9,17-18H,2,10H2,1H3,(H,23,28)/t17-,18-/m1/s1
SMILES: CC[Si](CC)(CC)[C@@H]1C[C@@H]2[C@H](C=C[C@H](O2)CC=C)O[C@H]3[C@@H]1OC(=O)C3
InChI: InChI=1S/C20H32O4Si/c1-5-9-14-10-11-15-16(22-14)12-18(25(6-2,7-3)8-4)20-17(23-15)13-19(21)24-20/h5,10-11,14-18,20H,1,6-9,12-13H2,2-4H3/t14-,15+,16-,17-,18-,20+/m1/s1
SMILES: CCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]45CN([C@H]([C@H]4CC[C@H]5[C@@H]3CC=C2C1)C)C)C
InChI: InChI=1S/C25H39NO2/c1-5-23(27)28-18-10-12-24(3)17(14-18)6-7-19-21(24)11-13-25-15-26(4)16(2)20(25)8-9-22(19)25/h6,16,18-22H,5,7-15H2,1-4H3/t16-,18-,19+,20+,21-,22-,24-,25-/m0/s1
SMILES: C[C@@H]1CO[C@]2(O1)[C@@]3([C@@]([C@@]3(C(=N2)N)C#N)(C)C4=CC=CC=C4)C#N
InChI: InChI=1S/C17H16N4O2/c1-11-8-22-17(23-11)16(10-19)14(2,12-6-4-3-5-7-12)15(16,9-18)13(20)21-17/h3-7,11H,8H2,1-2H3,(H2,20,21)/t11-,14+,15+,16-,17+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@](C2)(C3=C(N=C(C=C3)OC)CCO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C25H42N2O5Si/c1-23(2,3)32-22(28)27-17-10-12-20(27)25(29,16-17)18-11-13-21(30-7)26-19(18)14-15-31-33(8,9)24(4,5)6/h11,13,17,20,29H,10,12,14-16H2,1-9H3/t17-,20+,25-/m0/s1
SMILES: CC(=O)OC[C@H]([C@H](C=C)OC(=O)C)O[C@H]1C[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)CC=CCO3)OCC4=CC=CC=C4)O[C@@H]1C=C
InChI: InChI=1S/C30H38O9/c1-5-22-25(38-27(18-34-19(3)31)23(6-2)36-20(4)32)16-26-29(39-22)30(35-17-21-12-8-7-9-13-21)28-24(37-26)14-10-11-15-33-28/h5-13,22-30H,1-2,14-18H2,3-4H3/t22-,23+,24+,25+,26-,27-,28+,29-,30-/m1/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C21H25Cl3F3NO9S2/c1-3-38-18-15(28-19(30)34-11-20(22,23)24)17(35-12(2)29)16(37-39(31,32)21(25,26)27)14(36-18)10-33-9-13-7-5-4-6-8-13/h4-8,14-18H,3,9-11H2,1-2H3,(H,28,30)/t14-,15-,16-,17-,18+/m1/s1
SMILES: CC1=C(C(=NO1)C)S(=O)(=O)NCC(=O)OCC(=O)N2CCC[C@@H]3[C@H]2CCCC3
InChI: InChI=1S/C18H27N3O6S/c1-12-18(13(2)27-20-12)28(24,25)19-10-17(23)26-11-16(22)21-9-5-7-14-6-3-4-8-15(14)21/h14-15,19H,3-11H2,1-2H3/t14-,15-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@]3(CC[C@H]([C@@H]3Br)O)N=[N+]=[N-]
InChI: InChI=1S/C22H28BrN3O2Si/c1-21(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)28-16-22(25-26-24)15-14-19(27)20(22)23/h4-13,19-20,27H,14-16H2,1-3H3/t19-,20+,22-/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OCC=C)OC[C@@H](C(=O)OC)NC(=O)OCC=C)N2C=NC3=C(N=CN=C32)NC(=O)CC4=CC=CC=C4
InChI: InChI=1S/C31H37N6O12P/c1-5-12-44-31(41)35-22(30(40)43-4)16-46-50(42,45-13-6-2)47-17-24-23(48-20(3)38)15-26(49-24)37-19-34-27-28(32-18-33-29(27)37)36-25(39)14-21-10-8-7-9-11-21/h5-11,18-19,22-24,26H,1-2,12-17H2,3-4H3,(H,35,41)(H,32,33,36,39)/t22-,23-,24+,26+,50?/m0/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)OC
InChI: InChI=1S/C19H22N2O5/c1-25-12-7-8-15(16(11-12)26-2)20-17(22)9-10-21-18(23)13-5-3-4-6-14(13)19(21)24/h3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3,(H,20,22)/t13-,14-/m1/s1
SMILES: C[C@@]12C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)C6=CNC7=CC=CC=C76
InChI: InChI=1S/C23H20N4O3S2/c1-21-19(29)27-18-22(13-8-4-6-10-16(13)25-18,14-11-24-15-9-5-3-7-12(14)15)17(28)23(27,32-31-21)20(30)26(21)2/h3-11,17-18,24-25,28H,1-2H3/t17-,18+,21+,22+,23-/m0/s1
SMILES: CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O
InChI: InChI=1S/C10H14N2O6/c1-11-6(14)2-3-12(10(11)17)9-8(16)7(15)5(4-13)18-9/h2-3,5,7-9,13,15-16H,4H2,1H3/t5-,7+,8+,9+/m0/s1
SMILES: CS(=O)(=O)OC[C@@H]1C[C@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)N=[N+]=[N-]
InChI: InChI=1S/C23H29N3O8S2/c1-35(27,28)33-16-19-13-20(25-26-24)22(31-14-17-9-5-3-6-10-17)23(21(19)34-36(2,29)30)32-15-18-11-7-4-8-12-18/h3-12,19-23H,13-16H2,1-2H3/t19-,20+,21-,22+,23+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@H](C(C(=O)C(C[C@@]([C@@H]([C@H](C(=O)C(C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCCNCC4=CC=C(C=C4)Cl)C)C)C(=C)CO2)C
InChI: InChI=1S/C41H63ClN2O9/c1-12-32-41(9)33(24(3)22-50-41)26(5)34(45)23(2)20-40(8,49-18-17-43-21-29-13-15-30(42)16-14-29)37(27(6)35(46)28(7)38(48)52-32)53-39-36(47)31(44(10)11)19-25(4)51-39/h13-16,23,25-28,31-33,36-37,39,43,47H,3,12,17-22H2,1-2,4-11H3/t23?,25-,26?,27+,28?,31+,32-,33+,36-,37-,39+,40-,41-/m1/s1
SMILES: C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)N
InChI: InChI=1S/C46H60N8O15/c1-24(50-42(64)30(47)18-26-9-13-28(57)14-10-26)41(63)52-31(19-25-6-3-2-4-7-25)43(65)49-21-36(58)51-32(45(67)54-17-5-8-34(54)44(66)53-33(22-55)40(48)62)20-27-11-15-29(16-12-27)68-46-39(61)38(60)37(59)35(23-56)69-46/h2-4,6-7,9-16,24,30-35,37-39,46,55-57,59-61H,5,8,17-23,47H2,1H3,(H2,48,62)(H,49,65)(H,50,64)(H,51,58)(H,52,63)(H,53,66)/t24-,30+,31+,32+,33+,34+,35-,37-,38+,39-,46-/m1/s1
SMILES: C[C@H]1CC([C@@]2(C#C/C=C\C#C[C@H]3[C@]14[C@]2(O4)C5=C(N3C(=O)OCC=C)C=CC(=C5)O[Si](C)(C)C(C)(C)C)O)(OC)OC
InChI: InChI=1S/C32H39NO7Si/c1-10-19-38-27(34)33-25-17-16-23(39-41(8,9)28(3,4)5)20-24(25)32-29(35)18-14-12-11-13-15-26(33)31(32,40-32)22(2)21-30(29,36-6)37-7/h10-12,16-17,20,22,26,35H,1,19,21H2,2-9H3/b12-11-/t22-,26-,29+,31-,32-/m0/s1
SMILES: CC/C=C(\C)/C=C/CCC[C@]1(C[C@@H]([C@@H](OO1)CC(=O)O)C)OC.C/C=C(\C)/C=C/CCC[C@]1(C[C@@H]([C@@H](OO1)CC(=O)O)C)OC
InChI: InChI=1S/C18H30O5.C17H28O5/c1-5-9-14(2)10-7-6-8-11-18(21-4)13-15(3)16(22-23-18)12-17(19)20;1-5-13(2)9-7-6-8-10-17(20-4)12-14(3)15(21-22-17)11-16(18)19/h7,9-10,15-16H,5-6,8,11-13H2,1-4H3,(H,19,20);5,7,9,14-15H,6,8,10-12H2,1-4H3,(H,18,19)/b10-7+,14-9+;9-7+,13-5+/t15-,16-,18-;14-,15-,17-/m00/s1
SMILES: CC(C)([C@H]1CCCC[C@@H]1O[C@H]2CCC=[N+](O2)[O-])C3=CC=CC=C3
InChI: InChI=1S/C19H27NO3/c1-19(2,15-9-4-3-5-10-15)16-11-6-7-12-17(16)22-18-13-8-14-20(21)23-18/h3-5,9-10,14,16-18H,6-8,11-13H2,1-2H3/t16-,17-,18+/m0/s1
SMILES: CO[C@@H]1C[C@@H]2[C@@]3(CCN2CC4=C(C5=C(C=C43)OCO5)OC)C=C1
InChI: InChI=1S/C18H21NO4/c1-20-11-3-4-18-5-6-19(15(18)7-11)9-12-13(18)8-14-17(16(12)21-2)23-10-22-14/h3-4,8,11,15H,5-7,9-10H2,1-2H3/t11-,15+,18+/m0/s1
SMILES: C[C@H]1C[C@H](CC([C@@]1(/C=C/C(=O)C)O)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H36O3Si/c1-14-12-16(22-23(8,9)17(3,4)5)13-18(6,7)19(14,21)11-10-15(2)20/h10-11,14,16,21H,12-13H2,1-9H3/b11-10+/t14-,16+,19-/m0/s1
SMILES: CN1C(=NN=N1)C2=CC(=CC=C2)NC(=O)N[C@@H]3CCCC[C@H]3CN4C[C@@H](NC(=O)[C@@H]4CO)CC5=CC=C(C=C5)F
InChI: InChI=1S/C28H35FN8O3/c1-36-26(33-34-35-36)19-6-4-7-22(14-19)31-28(40)32-24-8-3-2-5-20(24)15-37-16-23(30-27(39)25(37)17-38)13-18-9-11-21(29)12-10-18/h4,6-7,9-12,14,20,23-25,38H,2-3,5,8,13,15-17H2,1H3,(H,30,39)(H2,31,32,40)/t20-,23-,24+,25-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Cl)O)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)C8=CC(=C(C=C8)C(=O)O)O
InChI: InChI=1S/C39H26Cl3F3N4O8/c40-18-3-1-16(2-4-18)38-26(34(53)49(37(38)57)47-32-27(42)11-17(15-46-32)39(43,44)45)14-24-21(31(38)25-12-19(41)5-10-28(25)50)8-9-23-30(24)35(54)48(33(23)52)20-6-7-22(36(55)56)29(51)13-20/h1-8,10-13,15,23-24,26,30-31,50-51H,9,14H2,(H,46,47)(H,55,56)/t23-,24+,26-,30-,31+,38+/m0/s1