EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C19H27N3O5S/c1-21-10-12-22(13-11-21)28(26,27)15-8-6-14(7-9-15)20-18(23)16-4-2-3-5-17(16)19(24)25/h6-9,16-17H,2-5,10-13H2,1H3,(H,20,23)(H,24,25)/t16-,17-/m0/s1
SMILES: C1CN2CCC1[C@@H]([C@@H]2CC3=CN=CC=C3)NC(=O)NC4=CC(=CC=C4)F
InChI: InChI=1S/C20H23FN4O/c21-16-4-1-5-17(12-16)23-20(26)24-19-15-6-9-25(10-7-15)18(19)11-14-3-2-8-22-13-14/h1-5,8,12-13,15,18-19H,6-7,9-11H2,(H2,23,24,26)/t18-,19-/m0/s1
SMILES: CC[C@H](C)C1=C(C(=O)[C@H]([C@@]2(O1)[C@@H]([C@@H]([C@H]([C@H](O2)[C@H](C)CO)C)OC(=O)CC(C)C)C)C)C
InChI: InChI=1S/C25H42O6/c1-10-14(4)22-16(6)21(28)18(8)25(30-22)19(9)24(29-20(27)11-13(2)3)17(7)23(31-25)15(5)12-26/h13-15,17-19,23-24,26H,10-12H2,1-9H3/t14-,15+,17-,18+,19+,23+,24+,25-/m0/s1
SMILES: C\1C(NC(=C/C1=C/C=[N+]2C(CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O
InChI: InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12?,14?,17-,18-,19+,20-,24-/m1/s1
SMILES: C[C@H](C=C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C23H36O2/c1-5-14(2)17-6-7-18-16-13-21(25)20-12-15(24)8-10-23(20,4)19(16)9-11-22(17,18)3/h5,14-20,24H,1,6-13H2,2-4H3/t14-,15-,16+,17-,18+,19+,20-,22-,23-/m1/s1
SMILES: CCCNC(=O)CNC(=O)COC(=O)[C@@H]1CC(=O)N(C1)[C@@H]2CCC[C@@H]([C@@H]2C)C
InChI: InChI=1S/C20H33N3O5/c1-4-8-21-17(24)10-22-18(25)12-28-20(27)15-9-19(26)23(11-15)16-7-5-6-13(2)14(16)3/h13-16H,4-12H2,1-3H3,(H,21,24)(H,22,25)/t13-,14-,15+,16+/m0/s1
SMILES: C1=NC(=C2C(=C(N(C2=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)Br)C#N)N
InChI: InChI=1S/C12H11BrN8O3/c13-9-4(1-14)6-10(15)17-3-18-11(6)21(9)12-8(23)7(22)5(24-12)2-19-20-16/h3,5,7-8,12,22-23H,2H2,(H2,15,17,18)/t5-,7-,8-,12-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=C(C=C8)O)Cl)C(=O)N(C7=O)C9=CC=C(C=C9)C(=O)C)C
InChI: InChI=1S/C42H34Cl2N4O6S/c1-19-28-15-22(43)7-14-33(28)55-37(19)32-18-34(46(4)45-32)48-39(52)30-17-29-25(36(42(30,3)41(48)54)26-11-10-24(50)16-31(26)44)12-13-27-35(29)40(53)47(38(27)51)23-8-5-21(6-9-23)20(2)49/h5-12,14-16,18,27,29-30,35-36,50H,13,17H2,1-4H3/t27-,29+,30-,35-,36+,42+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C#CC3(CCCCC3)NS(=O)(=O)C4=CC=C(C=C4)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C36H57NO3SSi/c1-8-9-11-14-31(40-42(6,7)35(3,4)5)19-22-33-29-17-18-30(27-29)34(33)23-26-36(24-12-10-13-25-36)37-41(38,39)32-20-15-28(2)16-21-32/h15-16,19-22,29-31,33-34,37H,8-14,17-18,24-25,27H2,1-7H3/b22-19+/t29-,30+,31+,33+,34-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI: InChI=1S/C41H80N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(45)36(32-42-35-31-34(33-44)39(47)41(49)40(35)48)43-38(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,34-37,39-42,44-45,47-49H,3-26,28,30-33H2,1-2H3,(H,43,46)/b29-27+/t34-,35-,36+,37-,39-,40+,41+/m1/s1
SMILES: CC(C)(C)[C@@H]1N2C(=O)[C@H]([C@]2(CO1)C(=O)OC)C3=CC=CC=C3
InChI: InChI=1S/C17H21NO4/c1-16(2,3)14-18-13(19)12(11-8-6-5-7-9-11)17(18,10-22-14)15(20)21-4/h5-9,12,14H,10H2,1-4H3/t12-,14-,17-/m1/s1
SMILES: C/C/1=C\C=C(/CCC2=CCC[C@@]([C@@H](CC1)O)(OC2=O)C)\C(C)C
InChI: InChI=1S/C20H30O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,9,14,18,21H,5,8,10-13H2,1-4H3/b15-7+,16-9+/t18-,20+/m1/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H25N3O4/c1-13-7-6-8-14(2)19(13)22-17(25)11-23(3)18(26)12-24-20(27)15-9-4-5-10-16(15)21(24)28/h4-8,15-16H,9-12H2,1-3H3,(H,22,25)/t15-,16-/m0/s1
SMILES: CC(=C[C@H]1[C@H](C(=O)N1C2=CC=C(C=C2)OC)OCC3=CC=CC=C3)C
InChI: InChI=1S/C21H23NO3/c1-15(2)13-19-20(25-14-16-7-5-4-6-8-16)21(23)22(19)17-9-11-18(24-3)12-10-17/h4-13,19-20H,14H2,1-3H3/t19-,20+/m0/s1
SMILES: CC[C@@H](C)N1C(=O)[C@@H]2[C@H](N[C@@]3([C@@H]2C1=O)C4=C(C(=C(C=C4)C)C)NC3=O)C
InChI: InChI=1S/C20H25N3O3/c1-6-10(3)23-17(24)14-12(5)22-20(15(14)18(23)25)13-8-7-9(2)11(4)16(13)21-19(20)26/h7-8,10,12,14-15,22H,6H2,1-5H3,(H,21,26)/t10-,12-,14-,15+,20-/m1/s1
SMILES: C1C[C@@H]2[C@@H]([NH2+][C@H]([C@H](C1)C2O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H23NO/c22-20-16-12-7-13-17(20)19(15-10-5-2-6-11-15)21-18(16)14-8-3-1-4-9-14/h1-6,8-11,16-22H,7,12-13H2/p+1/t16-,17+,18-,19-,20?/m0/s1
SMILES: CC(C)(C)N1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CC(=O)N
InChI: InChI=1S/C19H22N4O4/c1-18(2,3)23-15(25)13-11(8-12(20)24)22-19(14(13)16(23)26)9-6-4-5-7-10(9)21-17(19)27/h4-7,11,13-14,22H,8H2,1-3H3,(H2,20,24)(H,21,27)/p+1/t11-,13-,14+,19-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=C(C=C(C=C6)OC)OC)S(=O)(=O)C)O)C(=C5)C(=O)C7=CC=C(C=C7)OC)O)C
InChI: InChI=1S/C40H51NO8S/c1-36-16-13-28(42)22-38(36)19-20-40(31(23-38)35(43)26-7-10-29(47-3)11-8-26)33(36)14-17-37(2)34(40)15-18-39(37,44)25-41(50(6,45)46)24-27-9-12-30(48-4)21-32(27)49-5/h7-12,19-21,23,28,33-34,42,44H,13-18,22,24-25H2,1-6H3/t28?,33-,34-,36-,37+,38+,39-,40-/m1/s1
SMILES: CC(C)NC[C@@H](COC1=CC=CC=C1[C@@H]2C[C@H]3CC[C@@H]2C3)O
InChI: InChI=1S/C19H29NO2/c1-13(2)20-11-16(21)12-22-19-6-4-3-5-17(19)18-10-14-7-8-15(18)9-14/h3-6,13-16,18,20-21H,7-12H2,1-2H3/t14-,15+,16-,18+/m0/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)O)C(=O)N(C4=O)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)N(C)C)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C41H35ClFN5O5/c1-41-32(38(51)48(40(41)53)27-14-19-34(43)33(42)20-27)21-31-29(36(41)22-4-15-28(49)16-5-22)17-18-30-35(31)39(52)47(37(30)50)26-12-8-24(9-13-26)45-44-23-6-10-25(11-7-23)46(2)3/h4-17,19-20,30-32,35-36,49H,18,21H2,1-3H3/t30-,31+,32-,35-,36-,41+/m0/s1
SMILES: CO[C@@H]1CC2(C[C@H]([C@@H]1[N+](=O)[O-])COCC3=CC=CC=C3)OCCO2
InChI: InChI=1S/C17H23NO6/c1-21-15-10-17(23-7-8-24-17)9-14(16(15)18(19)20)12-22-11-13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3/t14-,15+,16-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@H]4CC[C@@H](C[C@H]4CC[C@H]3[C@@H]1CCC2=O)OCOC
InChI: InChI=1S/C20H32O3/c1-20-10-9-16-15-6-4-14(23-12-22-2)11-13(15)3-5-17(16)18(20)7-8-19(20)21/h13-18H,3-12H2,1-2H3/t13-,14+,15+,16-,17-,18+,20+/m1/s1
SMILES: CCCCCCNC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CNCCCCCC)O)O)O)O)O)O
InChI: InChI=1S/C24H48N2O9/c1-3-5-7-9-11-25-13-15-17(27)19(29)21(31)23(33-15)35-24-22(32)20(30)18(28)16(34-24)14-26-12-10-8-6-4-2/h15-32H,3-14H2,1-2H3/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24?/m1/s1
SMILES: CCC(C)CCN1CC[C@@]23CCCC[C@H]2[C@@H]1CC4=C3C=C(C=C4)OC
InChI: InChI=1S/C23H35NO/c1-4-17(2)10-13-24-14-12-23-11-6-5-7-20(23)22(24)15-18-8-9-19(25-3)16-21(18)23/h8-9,16-17,20,22H,4-7,10-15H2,1-3H3/t17?,20-,22-,23-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC(=CC1=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C23H25NO6S/c1-4-30-23(26)22-20(16-7-11-19(29-2)12-8-16)13-17(14-21(22)25)15-5-9-18(10-6-15)24-31(3,27)28/h5-12,14,20,22,24H,4,13H2,1-3H3/t20-,22-/m1/s1
SMILES: C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na]
InChI: InChI=1S/C28H48N2O8S.Na/c1-16(4-7-24(34)30-15-25(35)29-10-11-39(36,37)38)19-5-6-20-26-21(14-23(33)28(19,20)3)27(2)9-8-18(31)12-17(27)13-22(26)32;/h16-23,26,31-33H,4-15H2,1-3H3,(H,29,35)(H,30,34)(H,36,37,38);/t16-,17+,18-,19-,20+,21+,22-,23+,26+,27+,28-;/m1./s1
SMILES: C1CN(CCN1CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C16H21Cl2N3O3S/c17-12-2-1-3-13(8-12)21-6-4-20(5-7-21)9-16(22)19-15-11-25(23,24)10-14(15)18/h1-3,8,14-15H,4-7,9-11H2,(H,19,22)/t14-,15+/m1/s1
SMILES: C1CC[C@@]2(CC[NH2+][C@H]([C@@H]2C1)C3=CC(=C(C=C3)Cl)Cl)O
InChI: InChI=1S/C15H19Cl2NO/c16-12-5-4-10(9-13(12)17)14-11-3-1-2-6-15(11,19)7-8-18-14/h4-5,9,11,14,18-19H,1-3,6-8H2/p+1/t11-,14-,15-/m0/s1
SMILES: CC(C)N1C(=O)N(CC12CC3CCC(C2)N3C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)C6CCCC6)C
InChI: InChI=1S/C30H44N4O2/c1-21(2)34-29(36)31(3)20-30(34)15-25-13-14-26(16-30)33(25)18-24-17-32(28(35)23-11-7-8-12-23)19-27(24)22-9-5-4-6-10-22/h4-6,9-10,21,23-27H,7-8,11-20H2,1-3H3/t24-,25?,26?,27-,30?/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H](C2=O)CC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C17H20Cl2O/c1-16(2)13-6-7-17(16,3)15(20)12(13)8-10-4-5-11(18)9-14(10)19/h4-5,9,12-13H,6-8H2,1-3H3/t12-,13+,17-/m0/s1
SMILES: CC1(C[C@@]2(CCO1)[C@H](CC(=O)O2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C
InChI: InChI=1S/C17H20N2O6/c1-16(2)10-17(7-8-24-16)13(9-14(20)25-17)15(21)18-11-3-5-12(6-4-11)19(22)23/h3-6,13H,7-10H2,1-2H3,(H,18,21)/t13-,17+/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@H]2NC(=O)SCC3=CC=CC=C3
InChI: InChI=1S/C18H25NOS/c1-17(2)14-9-10-18(17,3)15(11-14)19-16(20)21-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,19,20)/t14-,15-,18+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C(=O)O)C
InChI: InChI=1S/C20H34O2/c1-14(2)7-5-8-15(3)17-10-11-18-16(13-19(21)22)9-6-12-20(17,18)4/h13-15,17-18H,5-12H2,1-4H3,(H,21,22)/b16-13+/t15-,17-,18?,20-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OCC[C@H]1C[C@]1(C2=CCCCC2)O
InChI: InChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-13-12-19-14-20(19,21)18-10-8-7-9-11-18/h10,15-17,19,21H,7-9,11-14H2,1-6H3/t19-,20+/m0/s1
SMILES: CC(=O)[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)C
InChI: InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18-,19-,20-,21-,22-,23+/m0/s1
SMILES: C1=CC=C2[C@H]([C@@H](C=CC2=C1)O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C11H9N3O7/c15-9-6-5-7-3-1-2-4-8(7)10(9)11(12(16)17,13(18)19)14(20)21/h1-6,9-10,15H/t9-,10-/m1/s1
SMILES: COC(=O)N1C[C@H]([C@H](CN1C(=O)OC)O)NCCCC2=CC=CC=C2
InChI: InChI=1S/C17H25N3O5/c1-24-16(22)19-11-14(15(21)12-20(19)17(23)25-2)18-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-15,18,21H,6,9-12H2,1-2H3/t14-,15+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4
InChI: InChI=1S/C23H27N3O3S/c1-15-7-5-11-19(16(15)2)24-21(27)14-30-23-25-20-10-4-3-9-18(20)22(28)26(23)13-17-8-6-12-29-17/h3-4,6,8-10,12,15-16,19H,5,7,11,13-14H2,1-2H3,(H,24,27)/t15-,16-,19+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)/C=C/C2=NC3=CC=CC=C3S2
InChI: InChI=1S/C21H26N2O3S/c1-13-7-6-9-16(14(13)2)23-21(25)15(3)26-20(24)12-11-19-22-17-8-4-5-10-18(17)27-19/h4-5,8,10-16H,6-7,9H2,1-3H3,(H,23,25)/b12-11+/t13-,14+,15+,16+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@]4([C@H]2CCC4=O)O)(CCOC(O3)(C)C)C
InChI: InChI=1S/C20H32O4/c1-17(2)23-12-11-19(4)13-7-10-20(22)14(5-6-15(20)21)18(13,3)9-8-16(19)24-17/h13-14,16,22H,5-12H2,1-4H3/t13-,14-,16+,18+,19+,20+/m0/s1
SMILES: CN1C(=NN(C1=S)CN2CCC[C@H]3[C@@H]2CCCC3)C4=CC=CC=C4OC
InChI: InChI=1S/C20H28N4OS/c1-22-19(16-10-4-6-12-18(16)25-2)21-24(20(22)26)14-23-13-7-9-15-8-3-5-11-17(15)23/h4,6,10,12,15,17H,3,5,7-9,11,13-14H2,1-2H3/t15-,17-/m0/s1
SMILES: CO[C@@H]1[C@H]2[C@H]([C@@H]([C@H](O1)CO)O)OC(=S)N2
InChI: InChI=1S/C8H13NO5S/c1-12-7-4-6(14-8(15)9-4)5(11)3(2-10)13-7/h3-7,10-11H,2H2,1H3,(H,9,15)/t3-,4-,5-,6-,7+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@H]2C[C@@H]([C@H](C[C@H]2O[C@H](CC3=CC=CC=C3)C(=O)O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C39H59NO18/c1-18(43)40-27-32(56-37-31(47)30(46)28(44)25(16-41)55-37)29(45)26(17-42)54-36(27)53-23-15-21(35(51)58-39(5,6)7)20(34(50)57-38(2,3)4)14-22(23)52-24(33(48)49)13-19-11-9-8-10-12-19/h8-12,20-32,36-37,41-42,44-47H,13-17H2,1-7H3,(H,40,43)(H,48,49)/t20-,21-,22+,23-,24+,25+,26+,27+,28-,29-,30-,31+,32+,36-,37-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C(C=C3)C(C)O)OC)O)O)O)O)O)O
InChI: InChI=1S/C21H32O12/c1-8(22)10-4-5-11(12(6-10)29-3)32-21-19(28)17(26)15(24)13(33-21)7-30-20-18(27)16(25)14(23)9(2)31-20/h4-6,8-9,13-28H,7H2,1-3H3/t8?,9-,13+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)C4=NC5=CC=CC=C5N=C4)CN6CC7(CC6CC(C7)(C)C)C
InChI: InChI=1S/C39H46N4O4/c1-25-34(21-43-24-39(4)18-30(43)17-38(2,3)23-39)46-37(47-35(25)28-13-11-27(22-44)12-14-28)29-15-9-26(10-16-29)19-41-36(45)33-20-40-31-7-5-6-8-32(31)42-33/h5-16,20,25,30,34-35,37,44H,17-19,21-24H2,1-4H3,(H,41,45)/t25-,30?,34+,35+,37+,39?/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H](C[C@@H](S3)SCC4=CC=CC=C4)OC(=O)NC(=O)C5=CC=CC=C5
InChI: InChI=1S/C36H39NO4S2Si/c1-36(2,3)44(29-20-12-6-13-21-29,30-22-14-7-15-23-30)40-25-32-31(24-33(43-32)42-26-27-16-8-4-9-17-27)41-35(39)37-34(38)28-18-10-5-11-19-28/h4-23,31-33H,24-26H2,1-3H3,(H,37,38,39)/t31-,32+,33+/m0/s1
SMILES: CCCC[Sn]CCCC.C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)[Se]C3=CC=CC=C3)O)O)O[C@@H](O1)C4=CC=CC=C4
InChI: InChI=1S/C19H20O5Se.2C4H9.Sn/c20-15-16(21)19(25-13-9-5-2-6-10-13)23-14-11-22-18(24-17(14)15)12-7-3-1-4-8-12;2*1-3-4-2;/h1-10,14-21H,11H2;2*1,3-4H2,2H3;/t14-,15-,16-,17-,18-,19+;;;/m1.../s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C17H23N3O4S/c21-20(22)15-3-1-2-4-17(15)25(23,24)19-9-7-18(8-10-19)16-12-13-5-6-14(16)11-13/h1-4,13-14,16H,5-12H2/p+1/t13-,14+,16-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=CC=C3C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H16N2O4/c22-19(23)16-9-3-8-15-13-6-2-7-14(13)17(20-18(15)16)11-4-1-5-12(10-11)21(24)25/h1-6,8-10,13-14,17,20H,7H2,(H,22,23)/t13-,14+,17+/m0/s1
SMILES: C[C@]12CCC3[C@H]([C@@H]1CC[C@@]24CCC(=O)O4)[C@@H]([C@H](C5=CC(=O)CC[C@]35C)O)SC
InChI: InChI=1S/C23H32O4S/c1-21-8-4-13(24)12-16(21)19(26)20(28-3)18-14(21)5-9-22(2)15(18)6-10-23(22)11-7-17(25)27-23/h12,14-15,18-20,26H,4-11H2,1-3H3/t14?,15-,18+,19-,20-,21+,22-,23+/m0/s1
SMILES: C[C@@H]1CCC2=C3[C@]1(CC(=C3C(=O)C[C@]2(C)C(=O)OC)C4=COC=C4)C
InChI: InChI=1S/C21H24O4/c1-12-5-6-15-18-17(16(22)10-21(15,3)19(23)24-4)14(9-20(12,18)2)13-7-8-25-11-13/h7-8,11-12H,5-6,9-10H2,1-4H3/t12-,20+,21+/m1/s1
SMILES: CC1=C(C(CC(C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)C=O
InChI: InChI=1S/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9?,11-,12-,13+,14-,15?/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NS(=O)(=O)C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C16H25NO4S/c1-11-6-5-7-14(12(11)2)17-22(18,19)13-8-9-15(20-3)16(10-13)21-4/h8-12,14,17H,5-7H2,1-4H3/t11-,12+,14+/m0/s1
SMILES: C1C[C@@H]2C=C[C@@H]([C@H]3[C@H]2N(CC3)C(=O)C1)CCOCC4=CC=CC=C4
InChI: InChI=1S/C21H27NO2/c23-20-8-4-7-18-10-9-17(19-11-13-22(20)21(18)19)12-14-24-15-16-5-2-1-3-6-16/h1-3,5-6,9-10,17-19,21H,4,7-8,11-15H2/t17-,18-,19+,21+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C17H22ClNO3/c1-11-5-3-4-6-15(11)19-16(20)12(2)22-17(21)13-7-9-14(18)10-8-13/h7-12,15H,3-6H2,1-2H3,(H,19,20)/t11-,12-,15-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3C/C(=N\O)/C4=O)C)O
InChI: InChI=1S/C19H29NO3/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20-23)17(19)22/h11-15,21,23H,3-10H2,1-2H3/b20-16+/t11-,12-,13+,14-,15+,18-,19+/m0/s1
SMILES: CCP(=O)(CCC/C=C\C[C@@H]1[C@H](C(CC1=O)OC)/C=C/C(CSC2=CC=CC=C2)OC)O
InChI: InChI=1S/C25H37O5PS/c1-4-31(27,28)17-11-6-5-10-14-22-23(25(30-3)18-24(22)26)16-15-20(29-2)19-32-21-12-8-7-9-13-21/h5,7-10,12-13,15-16,20,22-23,25H,4,6,11,14,17-19H2,1-3H3,(H,27,28)/b10-5-,16-15+/t20?,22-,23-,25?/m1/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@@H]2C3=CC=CC=C3F)(CCSC)C(=O)OC
InChI: InChI=1S/C19H23FN2O4S/c1-4-22-16(23)13-14(17(22)24)19(9-10-27-3,18(25)26-2)21-15(13)11-7-5-6-8-12(11)20/h5-8,13-15,21H,4,9-10H2,1-3H3/t13-,14-,15+,19+/m0/s1
SMILES: C[C@]12CC[C@@](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC[N+]4(C)C)C)(CN5CCCC5)O.C1=CC=C(C=C1)S(=O)(=O)[O-]
InChI: InChI=1S/C26H47N2O.C6H6O3S/c1-24-13-14-26(29,19-27-15-5-6-16-27)18-20(24)9-10-21-22(24)11-12-25(2)23(21)8-7-17-28(25,3)4;7-10(8,9)6-4-2-1-3-5-6/h20-23,29H,5-19H2,1-4H3;1-5H,(H,7,8,9)/q+1;/p-1/t20-,21+,22-,23-,24-,25-,26+;/m0./s1
SMILES: CCOC(=O)C1=CC[C@@]23CC[C@@H]([C@@]2(CC1)OC(=O)C)C(OC3=O)(C)/C=C/C=C(\C)/C(=O)O
InChI: InChI=1S/C24H30O8/c1-5-30-20(28)17-8-12-23-13-10-18(24(23,14-9-17)31-16(3)25)22(4,32-21(23)29)11-6-7-15(2)19(26)27/h6-8,11,18H,5,9-10,12-14H2,1-4H3,(H,26,27)/b11-6+,15-7+/t18-,22?,23+,24-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CN6CCN(CC6)C7=NC=CC=N7
InChI: InChI=1S/C41H38F5N5O4/c1-24-31(22-50-15-17-51(18-16-50)41-47-13-4-14-48-41)54-40(55-38(24)27-11-9-25(23-52)10-12-27)30-8-3-7-29(20-30)28-6-2-5-26(19-28)21-49-39(53)32-33(42)35(44)37(46)36(45)34(32)43/h2-14,19-20,24,31,38,40,52H,15-18,21-23H2,1H3,(H,49,53)/t24-,31+,38+,40+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC2=C(C1=O)[C@@H](CC(=O)N2)C3=CC(=CC=C3)OC)C4=CC=CO4
InChI: InChI=1S/C23H23NO6/c1-3-29-23(27)21-16(18-8-5-9-30-18)11-17-20(22(21)26)15(12-19(25)24-17)13-6-4-7-14(10-13)28-2/h4-10,15-16,21H,3,11-12H2,1-2H3,(H,24,25)/t15-,16+,21+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)[O-]
InChI: InChI=1S/C16H17NO4/c18-14-12-3-1-2-4-13(12)15(19)17(14)9-10-5-7-11(8-6-10)16(20)21/h5-8,12-13H,1-4,9H2,(H,20,21)/p-1/t12-,13-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN(CCOC)CC2=NN=C(O2)C3=CC=CS3
InChI: InChI=1S/C19H28N4O3S/c1-14-6-3-4-7-15(14)20-17(24)12-23(9-10-25-2)13-18-21-22-19(26-18)16-8-5-11-27-16/h5,8,11,14-15H,3-4,6-7,9-10,12-13H2,1-2H3,(H,20,24)/t14-,15-/m1/s1
SMILES: CCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)O)O)C
InChI: InChI=1S/C30H46O7/c1-6-7-8-9-10-11-12-13-23(32)37-26-19(3)29(35)21(24-27(4,5)30(24,26)36)15-20(17-31)16-28(34)22(29)14-18(2)25(28)33/h14-15,19,21-22,24,26,31,34-36H,6-13,16-17H2,1-5H3/t19-,21+,22-,24-,26-,28-,29+,30-/m1/s1
SMILES: C[C@H]1[C@@H](OC(O1)(C)C)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O
InChI: InChI=1S/C13H22O6/c1-6-8(17-12(2,3)16-6)9-7(14)10-11(15-9)19-13(4,5)18-10/h6-11,14H,1-5H3/t6-,7-,8+,9-,10+,11+/m0/s1
SMILES: CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N=[N+]=[N-])NC(=O)C)OCC2=CC=CC=C2
InChI: InChI=1S/C18H22N4O4/c1-3-25-18(24)14-9-15(21-22-19)17(20-12(2)23)16(10-14)26-11-13-7-5-4-6-8-13/h4-8,10,15-17H,3,9,11H2,1-2H3,(H,20,23)/t15-,16+,17+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]([C@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C19H16BrF3N2O3/c1-10-2-4-11(5-3-10)15-14(16(26)12-6-8-13(20)9-7-12)18(28,19(21,22)23)25-17(27)24-15/h2-9,14-15,28H,1H3,(H2,24,25,27)/t14-,15+,18+/m0/s1
SMILES: C1[C@H]([C@@H]2[C@H]([C@H]([C@@H]1O)O)NC(=S)N2C3=CC=C(C=C3)Cl)C(=O)NC4=NC=CS4
InChI: InChI=1S/C17H17ClN4O3S2/c18-8-1-3-9(4-2-8)22-13-10(15(25)21-16-19-5-6-27-16)7-11(23)14(24)12(13)20-17(22)26/h1-6,10-14,23-24H,7H2,(H,20,26)(H,19,21,25)/t10-,11-,12-,13-,14+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)CN5CCN(CC5)CC6=CC=CC=C6
InChI: InChI=1S/C38H45F3N4O5/c1-26-33(24-44-20-18-43(19-21-44)23-28-6-3-2-4-7-28)49-36(50-34(26)30-13-11-29(25-46)12-14-30)31-15-9-27(10-16-31)22-42-35(47)32-8-5-17-45(32)37(48)38(39,40)41/h2-4,6-7,9-16,26,32-34,36,46H,5,8,17-25H2,1H3,(H,42,47)/t26-,32-,33+,34+,36+/m0/s1
SMILES: C[C@]12CC[C@]3(C[C@@]1(CC[C@H]4[C@@]25CCC[C@@]4(C(=O)O5)O)C(=O)C3=C)OC
InChI: InChI=1S/C20H26O5/c1-12-14(21)17-8-5-13-19(23)6-4-7-20(13,25-15(19)22)16(17,2)9-10-18(12,11-17)24-3/h13,23H,1,4-11H2,2-3H3/t13-,16+,17+,18-,19-,20+/m1/s1
SMILES: COC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CCC4=CC=CC=C4)O2
InChI: InChI=1S/C18H19NO4/c1-22-17(21)14-13-7-9-18(23-13)11-19(16(20)15(14)18)10-8-12-5-3-2-4-6-12/h2-7,9,13-15H,8,10-11H2,1H3/t13-,14+,15+,18-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@@H]3CCC4=CC=CC=C4C3=NN2C(=S)N)OC
InChI: InChI=1S/C20H21N3O2S/c1-24-16-10-8-13(11-17(16)25-2)19-15-9-7-12-5-3-4-6-14(12)18(15)22-23(19)20(21)26/h3-6,8,10-11,15,19H,7,9H2,1-2H3,(H2,21,26)/t15-,19-/m1/s1
SMILES: CCCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C4=CC=CC=C34)OC
InChI: InChI=1S/C26H25N5O/c1-3-11-31-12-10-18-21(13-27)25(30)26(15-28,16-29)24(22(18)14-31)20-8-9-23(32-2)19-7-5-4-6-17(19)20/h4-10,22,24H,3,11-12,14,30H2,1-2H3/t22-,24+/m0/s1
SMILES: CC(=C)[C@@H](CCC#C[Si](C)(C)C)C(=O)O[C@H]1[C@H]2[C@@H](CO[C@]13COC(O3)(C)C)OC(O2)(C)C
InChI: InChI=1S/C24H38O7Si/c1-16(2)17(12-10-11-13-32(7,8)9)21(25)28-20-19-18(29-23(5,6)30-19)14-26-24(20)15-27-22(3,4)31-24/h17-20H,1,10,12,14-15H2,2-9H3/t17-,18-,19-,20+,24+/m1/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)NC9=CC=CC=C9)O
InChI: InChI=1S/C47H36Cl2F3N5O5/c1-2-7-25-8-6-11-34(40(25)58)39-32-20-21-33-38(44(61)56(42(33)59)31-18-16-30(17-19-31)54-29-9-4-3-5-10-29)35(32)23-36-43(60)57(45(62)46(36,39)26-12-14-28(48)15-13-26)55-41-37(49)22-27(24-53-41)47(50,51)52/h2-6,8-20,22,24,33,35-36,38-39,54,58H,1,7,21,23H2,(H,53,55)/t33-,35+,36-,38-,39+,46+/m0/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3C=CCC4=CC=CC=C4O)OC5(O2)CC6=CC=CC=C6C5)O
InChI: InChI=1S/C38H40N2O9/c1-23(42)33(36(45)39-17-18-41)40-35(44)28-19-31(34-32(20-28)48-38(49-34)21-26-11-2-3-12-27(26)22-38)47-37(46)29-15-6-4-9-24(29)13-8-14-25-10-5-7-16-30(25)43/h2-13,15-16,20,23,31-34,41-43H,14,17-19,21-22H2,1H3,(H,39,45)(H,40,44)/t23-,31+,32+,33+,34-/m0/s1
SMILES: CC[C@]1(CCC2=C([C@H]1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O[C@H]5CC[C@@H]([C@@H](O5)C)O)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O
InChI: InChI=1S/C40H53NO15/c1-7-40(50)13-12-19-28(34(47)32-31(33(19)46)35(48)29-22(43)8-9-23(44)30(29)36(32)49)39(40)56-26-14-20(41(5)6)37(17(3)52-26)55-27-15-24(45)38(18(4)53-27)54-25-11-10-21(42)16(2)51-25/h8-9,16-18,20-21,24-27,37-39,42-47,50H,7,10-15H2,1-6H3/t16-,17-,18-,20-,21-,24-,25-,26-,27-,37+,38+,39+,40+/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC=C2NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OP(=O)(O)O)O)O
InChI: InChI=1S/C20H21N5O10P2/c26-16-14(8-33-37(31,32)35-36(28,29)30)34-20(17(16)27)25-10-23-15-18(21-9-22-19(15)25)24-13-7-3-5-11-4-1-2-6-12(11)13/h1-7,9-10,14,16-17,20,26-27H,8H2,(H,31,32)(H,21,22,24)(H2,28,29,30)/t14-,16-,17-,20-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OCC8=CC=CC=C8F)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C62H79FN2O10/c1-3-5-6-7-8-9-10-11-12-22-36-69-61(68)65(41-46-29-31-56-57(37-46)72-44-71-56)58-40-54(64-74-42-45-23-14-13-15-24-45)51-38-47(25-18-20-33-66)50(27-19-21-34-67)59-52-39-49(70-43-48-26-16-17-28-53(48)63)30-32-55(52)75-62(58,60(51)59)73-35-4-2/h4,13-17,23-24,26,28-32,37-39,47,50,58-60,66-67H,2-3,5-12,18-22,25,27,33-36,40-44H2,1H3/t47-,50+,58-,59+,60+,62+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC2=C3C(=C(C=C2)Cl)C=CC=N3
InChI: InChI=1S/C19H22ClN3O3/c1-12-5-2-3-7-15(12)22-19(25)23-17(24)11-26-16-9-8-14(20)13-6-4-10-21-18(13)16/h4,6,8-10,12,15H,2-3,5,7,11H2,1H3,(H2,22,23,24,25)/t12-,15+/m0/s1
SMILES: CC(C)C(=O)N(CC1=COC=C1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C26H32N2O8/c1-14(2)26(33)28(11-15-4-7-35-13-15)19-10-18(25(32)27-5-6-29)21-17-8-16(12-30)9-20(34-3)23(17)36-24(21)22(19)31/h4,7-10,13-14,19,21-22,24,29-31H,5-6,11-12H2,1-3H3,(H,27,32)/t19-,21+,22+,24+/m1/s1
SMILES: CN1C[C@@H]2[C@@H](C1)C3=C(C=CC(=C3)Br)OC4=C2C=C(C=C4)Cl
InChI: InChI=1S/C17H15BrClNO/c1-20-8-14-12-6-10(18)2-4-16(12)21-17-5-3-11(19)7-13(17)15(14)9-20/h2-7,14-15H,8-9H2,1H3/t14-,15-/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N2CC3=CC=C(C=C3)F)OC4=CC=C(C=C4)Cl
InChI: InChI=1S/C24H19ClFNO4/c1-30-24(29)17-6-4-16(5-7-17)21-22(31-20-12-8-18(25)9-13-20)23(28)27(21)14-15-2-10-19(26)11-3-15/h2-13,21-22H,14H2,1H3/t21-,22+/m1/s1
SMILES: C1=C[N+](=CC=C1C(=O)NN)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H](C(O3)N4C=NC5=C4N=CN6C5=NC=C6)O)O)O)O
InChI: InChI=1S/C23H28N8O14P2/c24-28-21(36)11-1-4-29(5-2-11)22-17(34)15(32)12(43-22)7-41-46(37,38)45-47(39,40)42-8-13-16(33)18(35)23(44-13)31-10-26-14-19-25-3-6-30(19)9-27-20(14)31/h1-6,9-10,12-13,15-18,22-24,32-35H,7-8H2,(H3,36,37,38,39,40)/t12-,13-,15-,16-,17-,18-,22-,23?/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2CCC[C@@H]2C3=NC4=CC=CC=C4S3
InChI: InChI=1S/C20H27N3OS/c1-14-7-2-3-8-15(14)21-19(24)13-23-12-6-10-17(23)20-22-16-9-4-5-11-18(16)25-20/h4-5,9,11,14-15,17H,2-3,6-8,10,12-13H2,1H3,(H,21,24)/t14-,15-,17+/m0/s1
SMILES: CC(=O)O[C@H]1CC(=O)[C@H]2[C@@H]1ON=C2C3=C(C=CC=C3Cl)Cl
InChI: InChI=1S/C14H11Cl2NO4/c1-6(18)20-10-5-9(19)12-13(17-21-14(10)12)11-7(15)3-2-4-8(11)16/h2-4,10,12,14H,5H2,1H3/t10-,12+,14+/m0/s1