EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=CC(=C3)[C@@H]4CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O
InChI: InChI=1S/C25H22O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-9,19,23,25-29H,10-11H2,1H3/t19-,23+,25+/m0/s1
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](OC(C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CCC6C5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8CC(=O)OC8)O)C)O)C)C)C)O)O
InChI: InChI=1S/C41H66O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h19-31,33-38,42-45,47-48H,6-18H2,1-5H3/t19-,20-,21-,22?,23-,24+,25-,26?,27?,28+,29+,30+,31-,33?,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
SMILES: CCOC1=C(C=C(C=C1Cl)C(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)OC
InChI: InChI=1S/C20H28ClNO5/c1-5-26-18-15(21)10-14(11-17(18)25-4)20(24)27-13(3)19(23)22-16-9-7-6-8-12(16)2/h10-13,16H,5-9H2,1-4H3,(H,22,23)/t12-,13-,16-/m0/s1
SMILES: C[C@]1([C@@](O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O1)CO)[Se]C3=CC=CC=C3)O)(C)OC)OC
InChI: InChI=1S/C18H26O7Se/c1-17(21-3)18(2,22-4)25-15-13(20)16(23-12(10-19)14(15)24-17)26-11-8-6-5-7-9-11/h5-9,12-16,19-20H,10H2,1-4H3/t12-,13-,14-,15-,16+,17+,18+/m1/s1
SMILES: COC(=O)[C@@]1(C[C@H]([C@@H]2[C@H](C1)O2)O)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C15H16O6/c1-19-14(18)15(7-10(16)12-11(8-15)20-12)21-13(17)9-5-3-2-4-6-9/h2-6,10-12,16H,7-8H2,1H3/t10-,11+,12-,15+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H]3CC=C[C@H]3C4=C(C=CC(=C4N2)C)C(=O)O
InChI: InChI=1S/C21H21NO2/c1-12-6-9-14(10-7-12)20-16-5-3-4-15(16)18-17(21(23)24)11-8-13(2)19(18)22-20/h3-4,6-11,15-16,20,22H,5H2,1-2H3,(H,23,24)/t15-,16-,20+/m1/s1
SMILES: CCS(=O)(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C
InChI: InChI=1S/C20H26O4S/c1-3-25(22,23)24-14-5-7-15-13(12-14)4-6-17-16(15)10-11-20(2)18(17)8-9-19(20)21/h5,7,12,16-18H,3-4,6,8-11H2,1-2H3/t16-,17-,18+,20+/m1/s1
SMILES: CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O)O)C(=O)[O-])O)C4=CC=CC=C4)C
InChI: InChI=1S/C26H37NO9/c1-14(2)27(3)16-9-10-17(27)12-18(11-16)35-25(32)19(15-7-5-4-6-8-15)13-34-22-20(28)23(24(30)31)36-26(33)21(22)29/h4-8,14,16-23,26,28-29,33H,9-13H2,1-3H3/t16-,17+,18?,19?,20-,21+,22-,23-,26+,27?/m0/s1
SMILES: CCOC(=O)C1=NN([C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C21H19N3O5/c1-3-29-21(27)17-16-18(24(22-17)14-9-11-15(28-2)12-10-14)20(26)23(19(16)25)13-7-5-4-6-8-13/h4-12,16,18H,3H2,1-2H3/t16-,18-/m1/s1
SMILES: C[C@@H]1CC(=C[C@H]([C@@H]1CN(CC[N+]2(CCN(CC2)C(=O)C)C)C(=O)C)C)C
InChI: InChI=1S/C21H38N3O2/c1-16-13-17(2)21(18(3)14-16)15-23(20(5)26)9-12-24(6)10-7-22(8-11-24)19(4)25/h13,17-18,21H,7-12,14-15H2,1-6H3/q+1/t17-,18-,21+/m1/s1
SMILES: CCOC(=O)C1=NN([C@@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC=C3OC)C4=CC=CC=C4
InChI: InChI=1S/C21H19N3O5/c1-3-29-21(27)17-16-18(24(22-17)13-9-5-4-6-10-13)20(26)23(19(16)25)14-11-7-8-12-15(14)28-2/h4-12,16,18H,3H2,1-2H3/t16-,18+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=CC(=C7)OC)O)C(=O)N(C5=O)CCC(=O)O
InChI: InChI=1S/C37H35N3O8/c1-20-8-10-22(11-9-20)38-40-34(45)28-19-26-24(13-14-25-31(26)35(46)39(33(25)44)17-16-30(42)43)32(27-18-23(48-2)12-15-29(27)41)37(28,36(40)47)21-6-4-3-5-7-21/h3-13,15,18,25-26,28,31-32,38,41H,14,16-17,19H2,1-2H3,(H,42,43)/t25-,26+,28-,31-,32+,37+/m0/s1
SMILES: CC[C@H](C)C1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C22H28N2O5/c1-3-14(2)15-8-10-16(11-9-15)23-19(25)13-29-20(26)12-24-21(27)17-6-4-5-7-18(17)22(24)28/h8-11,14,17-18H,3-7,12-13H2,1-2H3,(H,23,25)/t14-,17-,18+/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)N2C(=O)[C@@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C26H24N2O3/c1-16-14-17(2)22(18(3)15-16)27-25(29)21-23(19-10-6-4-7-11-19)28(31-24(21)26(27)30)20-12-8-5-9-13-20/h4-15,21,23-24H,1-3H3/t21-,23+,24-/m1/s1
SMILES: C[C@@H]1CC(=O)[C@H]2[C@@H](N3C(=NC=N3)NC2=C1)C4=CC(=CC(=C4)F)F
InChI: InChI=1S/C16H14F2N4O/c1-8-2-12-14(13(23)3-8)15(22-16(21-12)19-7-20-22)9-4-10(17)6-11(18)5-9/h2,4-8,14-15H,3H2,1H3,(H,19,20,21)/t8-,14-,15-/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)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C44H64N2O10/c1-6-8-10-22-43(23-11-9-7-2)54-36-34-25-44(41(50)45-31(27-47)19-21-35(48)53-42(3,4)5)38(40(49)52-34)46(56-39(44)37(36)55-43)26-30-16-13-28(14-17-30)12-15-29-18-20-32-33(24-29)51-32/h12-17,29,31-34,36-39,47H,6-11,18-27H2,1-5H3,(H,45,50)/t29?,31-,32?,33?,34+,36-,37-,38-,39+,44-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC(=CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C21H19NO5/c1-2-27-21(24)20-18(15-6-4-3-5-7-15)12-16(13-19(20)23)14-8-10-17(11-9-14)22(25)26/h3-11,13,18,20H,2,12H2,1H3/t18-,20-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)COC(=O)C=C)C)O[C@@H]5CCCCO5
InChI: InChI=1S/C29H44O5/c1-4-26(31)33-18-25(30)24-11-10-22-21-9-8-19-17-20(34-27-7-5-6-16-32-27)12-14-28(19,2)23(21)13-15-29(22,24)3/h4,19-24,27H,1,5-18H2,2-3H3/t19-,20-,21+,22-,23-,24+,27+,28-,29-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C16H13NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h1-6,9-10,12-13H,7H2,(H,20,21)/t9-,10+,12-,13-/m1/s1
SMILES: C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CCC43CCSC
InChI: InChI=1S/C21H28O2S/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-24-2/h8,13,16-17H,3-7,9-12H2,1-2H3/t16-,17-,20-,21?/m0/s1
SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCC5=CC=CC(=N5)C)CCCCO)CCCCO)OCC=C)N(CC6=CC=C(C=C6)F)C(=O)OCCC=C
InChI: InChI=1S/C48H60FN3O8/c1-5-8-27-56-47(55)52(31-34-18-20-36(49)21-19-34)44-30-42(51-59-7-3)40-28-35(15-9-11-24-53)39(17-10-12-25-54)45-41-29-38(57-32-37-16-13-14-33(4)50-37)22-23-43(41)60-48(44,46(40)45)58-26-6-2/h5-6,13-14,16,18-23,28-29,35,39,44-46,53-54H,1-2,7-12,15,17,24-27,30-32H2,3-4H3/t35-,39+,44-,45+,46+,48+/m0/s1
SMILES: CCC(/C(=C/C[C@@H](C)/C=C\1/C[C@]([C@@H]2CCCN2C1)(C)O)/C)O
InChI: InChI=1S/C19H33NO2/c1-5-17(21)15(3)9-8-14(2)11-16-12-19(4,22)18-7-6-10-20(18)13-16/h9,11,14,17-18,21-22H,5-8,10,12-13H2,1-4H3/b15-9+,16-11-/t14-,17?,18+,19+/m1/s1
SMILES: CCN(C1CCCCC1)C(=O)CN2C(=O)[C@@]3(CCCC[C@H]3C)NC2=O
InChI: InChI=1S/C19H31N3O3/c1-3-21(15-10-5-4-6-11-15)16(23)13-22-17(24)19(20-18(22)25)12-8-7-9-14(19)2/h14-15H,3-13H2,1-2H3,(H,20,25)/t14-,19+/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)C4=CC=CC=C4)CSC5=CC=CC=N5
InChI: InChI=1S/C32H32N2O4S/c1-22-28(21-39-29-9-5-6-18-33-29)37-32(38-30(22)25-14-12-24(20-35)13-15-25)27-16-10-23(11-17-27)19-34-31(36)26-7-3-2-4-8-26/h2-18,22,28,30,32,35H,19-21H2,1H3,(H,34,36)/t22-,28+,30+,32+/m0/s1
SMILES: CCN1C2=C(CCC23CCN(CC3)C[C@H]4C[C@@H](C[C@@H]4C5=CC(=CC=C5)F)N(C)[C@@H](C(=O)O)C(C)(C)C)C(=N1)OC
InChI: InChI=1S/C32H47FN4O3/c1-7-37-27-25(29(34-37)40-6)11-12-32(27)13-15-36(16-14-32)20-22-18-24(35(5)28(30(38)39)31(2,3)4)19-26(22)21-9-8-10-23(33)17-21/h8-10,17,22,24,26,28H,7,11-16,18-20H2,1-6H3,(H,38,39)/t22-,24+,26-,28+/m1/s1
SMILES: COC1=CC=C(C=C1)N2[C@H]([C@@H](C2=O)SC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H19NO2S/c1-25-18-14-12-17(13-15-18)23-20(16-8-4-2-5-9-16)21(22(23)24)26-19-10-6-3-7-11-19/h2-15,20-21H,1H3/t20-,21-/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)NCCNC(=O)CC5=CC=C(C=C5)N=[N+]=[N-])N)O)O
InChI: InChI=1S/C33H40N12O6/c1-2-36-31(50)28-26(48)27(49)32(51-28)45-18-40-25-29(34)41-33(42-30(25)45)39-14-13-20-5-3-19(4-6-20)9-12-23(46)37-15-16-38-24(47)17-21-7-10-22(11-8-21)43-44-35/h3-8,10-11,18,26-28,32,48-49H,2,9,12-17H2,1H3,(H,36,50)(H,37,46)(H,38,47)(H3,34,39,41,42)/t26-,27+,28-,32+/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\C3CC4CCC3C4)/C5=CSC(=N5)N)C(=O)O)C
InChI: InChI=1S/C21H26N4O4S2/c1-21(2)15(19(28)29)25-17(27)14(18(25)31-21)24-16(26)12(13-8-30-20(22)23-13)7-11-6-9-3-4-10(11)5-9/h7-11,14-15,18H,3-6H2,1-2H3,(H2,22,23)(H,24,26)(H,28,29)/b12-7-/t9?,10?,11?,14-,15+,18-/m1/s1
SMILES: CO/C=C(/[C@H]1C[C@H]2[C@]3(CCN2C[C@H]1C=C)C4=CC=CC=C4NC3=O)\C(=O)OC
InChI: InChI=1S/C22H26N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h4-8,13-15,19H,1,9-12H2,2-3H3,(H,23,26)/b16-13-/t14-,15+,19+,22+/m1/s1
SMILES: C[C@H]1[C@H]2CC3=C([C@]1(CCN2CC4CC4)C)C=C(C=C3)NC=O
InChI: InChI=1S/C19H26N2O/c1-13-18-9-15-5-6-16(20-12-22)10-17(15)19(13,2)7-8-21(18)11-14-3-4-14/h5-6,10,12-14,18H,3-4,7-9,11H2,1-2H3,(H,20,22)/t13-,18+,19-/m0/s1
SMILES: CC[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C
InChI: InChI=1S/C23H36O2/c1-5-15(2)19-10-11-20-18(7-6-12-23(19,20)4)9-8-17-13-21(24)16(3)22(25)14-17/h8-9,15,19-22,24-25H,3,5-7,10-14H2,1-2,4H3/b18-9+/t15-,19+,20-,21+,22+,23+/m0/s1
SMILES: C[C@@]12C[C@@H]([C@@H](C(=O)N1)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5O2
InChI: InChI=1S/C19H17N3O2/c1-19-10-12(11-6-2-5-9-15(11)24-19)16(18(23)22-19)17-20-13-7-3-4-8-14(13)21-17/h2-9,12,16H,10H2,1H3,(H,20,21)(H,22,23)/t12-,16-,19-/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)OC)OC
InChI: InChI=1S/C22H37ClO4/c1-4-5-8-11-17(26-2)14-15-19-18(20(23)16-21(19)27-3)12-9-6-7-10-13-22(24)25/h6,9,14-15,17-21H,4-5,7-8,10-13,16H2,1-3H3,(H,24,25)/b9-6-,15-14+/t17-,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)C4=CC=CC(=C4)CNC(=O)C(Cl)(Cl)Cl)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C42H52Cl3N3O5/c1-26-36(24-48-34-11-6-5-9-30(34)20-21-35(48)38(50)47-41(2,3)4)52-39(53-37(26)31-14-12-27(25-49)13-15-31)32-18-16-29(17-19-32)33-10-7-8-28(22-33)23-46-40(51)42(43,44)45/h7-8,10,12-19,22,26,30,34-37,39,49H,5-6,9,11,20-21,23-25H2,1-4H3,(H,46,51)(H,47,50)/t26-,30+,34+,35+,36+,37+,39+/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)SCC(=O)O)O)O)O
InChI: InChI=1S/C15H26O12S/c1-24-14-10(22)9(21)12(6(3-17)26-14)27-15-11(23)13(28-4-7(18)19)8(20)5(2-16)25-15/h5-6,8-17,20-23H,2-4H2,1H3,(H,18,19)/t5-,6-,8+,9-,10-,11-,12-,13+,14-,15+/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=C(C(=C5)Cl)O)OC)C6=CC=C(C=C6)OC)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C37H34Cl3N3O7/c1-4-13-42-33(45)23-11-10-22-24(30(23)35(42)47)17-25-34(46)43(41-28-12-7-20(38)16-26(28)39)36(48)37(25,19-5-8-21(49-2)9-6-19)31(22)18-14-27(40)32(44)29(15-18)50-3/h5-10,12,14-16,23-25,30-31,41,44H,4,11,13,17H2,1-3H3/t23-,24+,25-,30-,31-,37+/m0/s1
SMILES: CC1=CC(=CC=C1)[C@H]2[C@H](C([C@@H]([C@@H](N2)C3=CC=CC(=C3)C)[N+](=O)[O-])(C)C)[N+](=O)[O-]
InChI: InChI=1S/C21H25N3O4/c1-13-7-5-9-15(11-13)17-19(23(25)26)21(3,4)20(24(27)28)18(22-17)16-10-6-8-14(2)12-16/h5-12,17-20,22H,1-4H3/t17-,18-,19+,20+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@H](NC3=C2C=CC=C3[N+](=O)[O-])C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C18H15N3O4/c22-20(23)15-9-2-1-5-14(15)17-12-7-3-6-11(12)13-8-4-10-16(21(24)25)18(13)19-17/h1-6,8-12,17,19H,7H2/t11-,12+,17+/m1/s1
SMILES: CC[C@H](C)N1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)CC5=CC=CC=C5
InChI: InChI=1S/C24H24FN3O3/c1-3-13(2)28-21(29)19-18(11-14-7-5-4-6-8-14)27-24(20(19)22(28)30)16-12-15(25)9-10-17(16)26-23(24)31/h4-10,12-13,18-20,27H,3,11H2,1-2H3,(H,26,31)/p+1/t13-,18+,19+,20-,24+/m0/s1
SMILES: COC(=O)C1=NN[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3Cl
InChI: InChI=1S/C13H10ClN3O4/c1-21-13(20)10-8-9(15-16-10)12(19)17(11(8)18)7-5-3-2-4-6(7)14/h2-5,8-9,15H,1H3/t8-,9+/m0/s1
SMILES: CC1(CC2=NC3=C([C@H]([C@H]2C(=O)C1)C4=CC=C(C=C4)C#N)C(=O)CC(C3)(C)C)C
InChI: InChI=1S/C24H26N2O2/c1-23(2)9-16-21(18(27)11-23)20(15-7-5-14(13-25)6-8-15)22-17(26-16)10-24(3,4)12-19(22)28/h5-8,20-21H,9-12H2,1-4H3/t20-,21+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)S[C@H]3CCN4C3=C[N+](=C4)C)C(=O)[O-])O
InChI: InChI=1S/C15H17N3O4S2/c1-7(19)10-12(20)18-11(14(21)22)15(24-13(10)18)23-9-3-4-17-6-16(2)5-8(9)17/h5-7,9-10,13,19H,3-4H2,1-2H3/t7-,9+,10+,13-/m1/s1
SMILES: C[C@@]1(CC[C@]2(C1)CC[C@@]3(C(=C2)C=C[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H](C5(CO)CO)O)O)C)C)C)CO
InChI: InChI=1S/C29H46O5/c1-24(16-30)9-11-28(15-24)12-10-26(3)19(13-28)5-6-21-25(2)14-20(33)23(34)29(17-31,18-32)22(25)7-8-27(21,26)4/h5-6,13,20-23,30-34H,7-12,14-18H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27-,28+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)OCCO)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)CCC(=O)O
InChI: InChI=1S/C31H23Cl2F5N2O8/c32-30-11-16-14(5-6-15-18(16)27(45)39(26(15)44)8-7-17(42)43)19(12-1-3-13(4-2-12)48-10-9-41)31(30,33)29(47)40(28(30)46)25-23(37)21(35)20(34)22(36)24(25)38/h1-5,15-16,18-19,41H,6-11H2,(H,42,43)/t15-,16+,18-,19-,30+,31-/m0/s1
SMILES: CC1(O[C@@H]2[C@@H](C[C@H]3[C@H]([C@@H]2O1)N(C(=O)C4=CC5=C(C=C34)OCO5)CC6=CC=C(C=C6)OC)OCC7=CC=CC=C7)C
InChI: InChI=1S/C32H33NO7/c1-32(2)39-29-27(36-17-20-7-5-4-6-8-20)14-23-22-13-25-26(38-18-37-25)15-24(22)31(34)33(28(23)30(29)40-32)16-19-9-11-21(35-3)12-10-19/h4-13,15,23,27-30H,14,16-18H2,1-3H3/t23-,27-,28-,29-,30+/m1/s1
SMILES: CC(C)(C)[C@@H]1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=C(C=C(C=C3)F)F
InChI: InChI=1S/C23H22F2N4/c1-22(2,3)13-4-6-15-17(8-13)20(16-7-5-14(24)9-19(16)25)23(11-27,12-28)21(29)18(15)10-26/h5-7,9,13,17-18,20,29H,4,8H2,1-3H3/t13-,17+,18?,20-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](C(=C(NC1=O)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N)C3=CC=CC=C3F
InChI: InChI=1S/C24H19F4N3O4S/c1-2-35-23(34)20-19(15-8-3-4-9-17(15)25)16(11-29)22(31-21(20)33)36-12-18(32)30-14-7-5-6-13(10-14)24(26,27)28/h3-10,19-20H,2,12H2,1H3,(H,30,32)(H,31,33)/t19-,20-/m1/s1
SMILES: CSC(=S)O[C@H](CC[C@@H]1C(=O)O[C@H]([C@H](N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)[C@@H]5C(=O)O[C@H]([C@H](N5C(=O)OCC6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C53H48N2O9S2/c1-66-53(65)62-43(46-50(57)64-48(41-30-18-7-19-31-41)45(39-26-14-5-15-27-39)55(46)52(59)61-35-37-22-10-3-11-23-37)33-32-42-49(56)63-47(40-28-16-6-17-29-40)44(38-24-12-4-13-25-38)54(42)51(58)60-34-36-20-8-2-9-21-36/h2-31,42-48H,32-35H2,1H3/t42-,43-,44-,45-,46-,47+,48+/m1/s1
SMILES: C[C@@]1(C[C@H]2C[C@@H]1C=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C15H15Cl2NO/c1-15(8-9-2-3-10(15)6-9)14(19)18-11-4-5-12(16)13(17)7-11/h2-5,7,9-10H,6,8H2,1H3,(H,18,19)/t9-,10+,15+/m1/s1
SMILES: C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NCCCCCCCCN4CCN(CC4)C)C)C
InChI: InChI=1S/C27H45N5O2/c1-27-13-16-30(3)25(27)31(4)24-12-11-22(21-23(24)27)34-26(33)28-14-9-7-5-6-8-10-15-32-19-17-29(2)18-20-32/h11-12,21,25H,5-10,13-20H2,1-4H3,(H,28,33)/t25-,27+/m1/s1
SMILES: COCC1=C2[C@H]([C@@H](CN2C3=CC=CC=C31)OS(=O)(=O)C)N=[N+]=[N-]
InChI: InChI=1S/C14H16N4O4S/c1-21-8-10-9-5-3-4-6-11(9)18-7-12(22-23(2,19)20)13(14(10)18)16-17-15/h3-6,12-13H,7-8H2,1-2H3/t12-,13+/m1/s1
SMILES: C[C@@]1([C@H]2N([C@H]3C[C@@H]([C@H](O3)CO2)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)C(=O)NC1=O)Br
InChI: InChI=1S/C26H31BrN2O5Si/c1-25(2,3)35(17-11-7-5-8-12-17,18-13-9-6-10-14-18)34-19-15-21-29-23(32-16-20(19)33-21)26(4,27)22(30)28-24(29)31/h5-14,19-21,23H,15-16H2,1-4H3,(H,28,30,31)/t19-,20+,21+,23-,26+/m0/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NC(=O)C3=CC=CC=C3)/C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C35H43N3O9/c1-19-15-24-29(38-34(43)23-12-8-7-9-13-23)26(39)18-25(31(24)41)37-33(42)20(2)11-10-14-27(45-5)32(47-35(36)44)22(4)17-21(3)30(40)28(16-19)46-6/h7-14,17-19,21,27-28,30,32,40H,15-16H2,1-6H3,(H2,36,44)(H,37,42)(H,38,43)/b14-10-,20-11+,22-17+/t19-,21+,27+,28+,30-,32+/m1/s1
SMILES: COC1=CC(=O)C[C@@H]2[C@]1(CC(=O)N(C2)CC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C19H21NO5/c1-24-16-9-15(21)8-14-12-20(11-13-6-4-3-5-7-13)17(22)10-19(14,16)18(23)25-2/h3-7,9,14H,8,10-12H2,1-2H3/t14-,19-/m0/s1
SMILES: [B-][P@@](=O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)OP(=O)(O)O.CC[NH+](CC)CC.CCN(CC)CC.CCN(CC)CC
InChI: InChI=1S/C10H14BN5O9P2.3C6H15N/c11-26(19,25-27(20,21)22)23-1-4-6(17)7(18)10(24-4)16-3-15-5-8(12)13-2-14-9(5)16;3*1-4-7(5-2)6-3/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)(H2,20,21,22);3*4-6H2,1-3H3/q-1;;;/p+1/t4-,6-,7-,10-,26-;;;/m1.../s1
SMILES: CC1=C([C@]2(CC[C@@H]([C@@]([C@@H]2CC1)(C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)C)C(=O)OC
InChI: InChI=1S/C30H38O4/c1-22-15-16-25-29(2,27(22)28(31)32-4)18-17-26(34-20-24-13-9-6-10-14-24)30(25,3)21-33-19-23-11-7-5-8-12-23/h5-14,25-26H,15-21H2,1-4H3/t25-,26+,29+,30+/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2OS(=O)(=O)O)COS(=O)(=O)O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H]([C@H]3OS(=O)(=O)O)OS(=O)(=O)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)N
InChI: InChI=1S/C40H47NO22S4/c41-31-33(54-21-26-13-5-1-6-14-26)32(61-65(45,46)47)30(25-58-64(42,43)44)59-40(31)60-37-35(56-23-28-17-9-3-10-18-28)34(55-22-27-15-7-2-8-16-27)36(57-24-29-19-11-4-12-20-29)38(62-66(48,49)50)39(37)63-67(51,52)53/h1-20,30-40H,21-25,41H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/t30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@H](O[C@H]2C(=O)OC)OC(=N)C(Cl)(Cl)Cl)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)N=[N+]=[N-])OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C45H45Cl3N4O13/c1-27(53)57-26-32-34(58-23-28-15-7-3-8-16-28)35(59-24-29-17-9-4-10-18-29)33(51-52-50)42(61-32)63-37-36(60-25-30-19-11-5-12-20-30)39(62-40(54)31-21-13-6-14-22-31)43(64-38(37)41(55)56-2)65-44(49)45(46,47)48/h3-22,32-39,42-43,49H,23-26H2,1-2H3/t32-,33-,34-,35-,36+,37+,38-,39-,42-,43-/m1/s1
SMILES: CCCCOC1=CC=CC=C1[C@H]2[C@@H]3C(=O)CC(C=C3NC4=NN=NN24)(C)C
InChI: InChI=1S/C20H25N5O2/c1-4-5-10-27-16-9-7-6-8-13(16)18-17-14(11-20(2,3)12-15(17)26)21-19-22-23-24-25(18)19/h6-9,11,17-18H,4-5,10,12H2,1-3H3,(H,21,22,24)/t17-,18-/m0/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2[C@@H]3[C@@H]2CC/C=C\CC/C=C\CC3
InChI: InChI=1S/C21H26N2O3/c1-15-12-13-16(23(25)26)14-19(15)22-21(24)20-17-10-8-6-4-2-3-5-7-9-11-18(17)20/h4-7,12-14,17-18,20H,2-3,8-11H2,1H3,(H,22,24)/b6-4-,7-5-/t17-,18-/m0/s1
SMILES: C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H24N2O7/c1-12(19(25)22-13-8-9-16(28-2)17(10-13)29-3)30-18(24)11-23-20(26)14-6-4-5-7-15(14)21(23)27/h4-5,8-10,12,14-15H,6-7,11H2,1-3H3,(H,22,25)/t12-,14-,15+/m1/s1
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CC[C@H]4CCCC[C@H]4C3
InChI: InChI=1S/C23H35N3O3S/c1-18-7-8-19(2)22(15-18)30(28,29)26-13-11-24(12-14-26)17-23(27)25-10-9-20-5-3-4-6-21(20)16-25/h7-8,15,20-21H,3-6,9-14,16-17H2,1-2H3/p+1/t20-,21+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)C=N[C@H](CC=C)C(=O)OC)C(C)(C)C2=CC=CC=C2
InChI: InChI=1S/C23H33NO2/c1-6-10-21(22(25)26-5)24-16-18-15-17(2)13-14-20(18)23(3,4)19-11-8-7-9-12-19/h6-9,11-12,16-18,20-21H,1,10,13-15H2,2-5H3/t17-,18+,20-,21-/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OC)CO)O)O)O
InChI: InChI=1S/C15H27NO10/c1-5-9(19)11(21)12(22)15(24-5)26-13-7(4-17)25-14(23-3)8(10(13)20)16-6(2)18/h5,7-15,17,19-22H,4H2,1-3H3,(H,16,18)/t5-,7-,8-,9+,10-,11+,12-,13-,14-,15-/m1/s1
SMILES: CC(=O)OC1=CC=CC(=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4C=CC3[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC(=CC=C6)OC(=O)C
InChI: InChI=1S/C28H22N2O8/c1-13(31)37-17-7-3-5-15(11-17)29-25(33)21-19-9-10-20(22(21)26(29)34)24-23(19)27(35)30(28(24)36)16-6-4-8-18(12-16)38-14(2)32/h3-12,19-24H,1-2H3/t19?,20?,21-,22-,23-,24+/m0/s1
SMILES: C1CCC2(CC1)O[C@@H]3[C@@H]([C@H]([C@H]4[C@H]([C@@H]3O2)OC5(O4)CCCCC5)OCC6=CC=CC=C6)O
InChI: InChI=1S/C25H34O6/c26-18-19(27-16-17-10-4-1-5-11-17)21-23(31-25(29-21)14-8-3-9-15-25)22-20(18)28-24(30-22)12-6-2-7-13-24/h1,4-5,10-11,18-23,26H,2-3,6-9,12-16H2/t18-,19-,20-,21+,22-,23-/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)O)O3
InChI: InChI=1S/C15H15NO5/c1-20-9-4-2-8(3-5-9)16-14(17)12-10-6-7-11(21-10)13(12)15(18)19/h2-7,10-13H,1H3,(H,16,17)(H,18,19)/t10-,11+,12-,13-/m0/s1
SMILES: CC(=O)OC1=CC=C2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OCC6=CC=CC=C6)CCN3CC7CC7
InChI: InChI=1S/C29H29NO4/c1-18(31)33-25-12-10-22-23-15-21-9-11-24(32-17-20-5-3-2-4-6-20)27-26(21)29(22,28(25)34-27)13-14-30(23)16-19-7-8-19/h2-6,9-12,19,23,28H,7-8,13-17H2,1H3/t23-,28+,29+/m1/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1[C@H]([C@]2([C@H](N1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5N(C2=O)CC6=CC=CC=C6)C(=O)OC
InChI: InChI=1S/C37H36N2O5/c1-36(2,3)44-34(41)31-30(33(40)43-4)37(32(26-18-10-6-11-19-26)39(31)27-20-12-7-13-21-27)28-22-14-15-23-29(28)38(35(37)42)24-25-16-8-5-9-17-25/h5-23,30-32H,24H2,1-4H3/t30-,31-,32+,37-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)Br
InChI: InChI=1S/C28H32BrN5O4Si/c1-18(35)37-24-22(29)21(38-27(24)34-17-33-23-25(30)31-16-32-26(23)34)15-36-39(28(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,16-17,21-22,24,27H,15H2,1-4H3,(H2,30,31,32)/t21-,22+,24-,27-/m1/s1
SMILES: CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(/C=C\[125I])O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C21H27IO2/c1-2-20-9-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(20)8-10-21(20,24)11-12-22/h4,6,11-13,17-19,23-24H,2-3,5,7-10H2,1H3/b12-11-/t17-,18-,19+,20+,21-/m1/s1/i22-2
SMILES: CCN1CCN(CCN(CC(=O)N([C@@H]([C@H](N(C(=O)CN(CC1)CC)C)C2=CC=CC=C2)C3=CC=CC=C3)C)CC)CC
InChI: InChI=1S/C34H54N6O2/c1-7-37-21-22-38(8-2)24-26-40(10-4)28-32(42)36(6)34(30-19-15-12-16-20-30)33(29-17-13-11-14-18-29)35(5)31(41)27-39(9-3)25-23-37/h11-20,33-34H,7-10,21-28H2,1-6H3/t33-,34-/m1/s1
SMILES: C1=CC(=CC=C1C2=NO[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)Cl)F
InChI: InChI=1S/C17H10ClFN2O3/c18-10-3-7-12(8-4-10)21-16(22)13-14(20-24-15(13)17(21)23)9-1-5-11(19)6-2-9/h1-8,13,15H/t13-,15-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)CN3C=NC4=CC=CC=C4C3=O
InChI: InChI=1S/C19H23N3O2/c23-18(22-11-5-7-14-6-1-4-10-17(14)22)12-21-13-20-16-9-3-2-8-15(16)19(21)24/h2-3,8-9,13-14,17H,1,4-7,10-12H2/t14-,17+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H](C[C@@H](C1(C)C)OCC2=CC=CC=C2)C=C
InChI: InChI=1S/C18H24O3/c1-5-15-11-16(18(3,4)17(15)21-13(2)19)20-12-14-9-7-6-8-10-14/h5-10,15-17H,1,11-12H2,2-4H3/t15-,16+,17-/m1/s1
SMILES: CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)O[C@H]2CC(=C)[C@H]3[C@@H]2CCCC3
InChI: InChI=1S/C20H24O4/c1-13-12-18(17-11-7-6-10-16(13)17)24-20(22)19(23-14(2)21)15-8-4-3-5-9-15/h3-5,8-9,16-19H,1,6-7,10-12H2,2H3/t16-,17-,18-,19-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)COC2=CC=CC=C2C=O
InChI: InChI=1S/C19H25NO5/c1-13-7-3-5-9-16(13)20-19(23)14(2)25-18(22)12-24-17-10-6-4-8-15(17)11-21/h4,6,8,10-11,13-14,16H,3,5,7,9,12H2,1-2H3,(H,20,23)/t13-,14+,16-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)NC2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C20H26N2O/c1-14-7-3-6-10-19(14)21-15(2)20(23)22-18-12-11-16-8-4-5-9-17(16)13-18/h4-5,8-9,11-15,19,21H,3,6-7,10H2,1-2H3,(H,22,23)/t14-,15+,19-/m1/s1
SMILES: CCCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C(=O)C
InChI: InChI=1S/C29H25NO4/c1-3-16-34-19-14-12-18(13-15-19)30-27(32)25-24-20-8-4-6-10-22(20)29(17(2)31,26(25)28(30)33)23-11-7-5-9-21(23)24/h4-15,24-26H,3,16H2,1-2H3/t24?,25-,26-,29?/m0/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@]2([C@@H]3CC[C@@]4([C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(C(=O)CC=C6)C)C)O2)C)COC(=O)C
InChI: InChI=1S/C30H38O6/c1-17-15-25(35-26(33)20(17)16-34-18(2)31)29(5)23-12-14-30(36-29)22-10-9-19-7-6-8-24(32)28(19,4)21(22)11-13-27(23,30)3/h6-7,9,21-23,25H,8,10-16H2,1-5H3/t21-,22+,23+,25+,27+,28-,29+,30+/m0/s1
SMILES: C1[C@H]2C[C@@H]([C@@H]1[C@H]([C@H]2Br)Br)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C13H14Br2O2S/c14-12-8-6-10(13(12)15)11(7-8)18(16,17)9-4-2-1-3-5-9/h1-5,8,10-13H,6-7H2/t8-,10+,11-,12-,13+/m0/s1
SMILES: C[C@@H]1[C@H]2C[C@@H]3[C@H](O2)/C=C/C=C\C=C/C(=O)O[C@@H]4C=C[C@H](C/C=C/CC/C=C/[C@@H]([C@@H]([C@H]5C/C(=N\O)/[C@H]([C@H](O5)C/C=C/[C@@H]1O3)C)O)O)O[C@H]4/C(=C/[C@H](C)CCCCC(=O)O)/C
InChI: InChI=1S/C47H65NO11/c1-30(17-14-15-23-44(50)51)27-31(2)47-40-26-25-34(55-47)18-10-6-5-7-11-19-36(49)46(53)43-28-35(48-54)32(3)37(57-43)21-16-22-38-33(4)41-29-42(56-38)39(58-41)20-12-8-9-13-24-45(52)59-40/h6,8-13,16,19-20,22,24-27,30,32-34,36-43,46-47,49,53-54H,5,7,14-15,17-18,21,23,28-29H2,1-4H3,(H,50,51)/b9-8-,10-6+,19-11+,20-12+,22-16+,24-13-,31-27+,48-35+/t30-,32-,33+,34+,36+,37-,38+,39-,40-,41-,42-,43-,46+,47+/m1/s1
SMILES: COC(=O)[C@H]1[C@@H]([C@@H]1OC(=O)C(=O)OC)[C@H](CC=C)O
InChI: InChI=1S/C12H16O7/c1-4-5-6(13)7-8(10(14)17-2)9(7)19-12(16)11(15)18-3/h4,6-9,13H,1,5H2,2-3H3/t6-,7-,8-,9-/m0/s1