EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CC[C@@H]2C[NH+](CC[C@H]2C1)CC(=O)NC3=CC(=C(C=C3)F)F
InChI: InChI=1S/C17H22F2N2O/c18-15-6-5-14(9-16(15)19)20-17(22)11-21-8-7-12-3-1-2-4-13(12)10-21/h5-6,9,12-13H,1-4,7-8,10-11H2,(H,20,22)/p+1/t12-,13-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NN=C(O2)C3=CC(=C(C=C3)C)C)C(C)C
InChI: InChI=1S/C22H30N2O3S/c1-13(2)18-9-6-14(3)10-19(18)26-20(25)12-28-22-24-23-21(27-22)17-8-7-15(4)16(5)11-17/h7-8,11,13-14,18-19H,6,9-10,12H2,1-5H3/t14-,18+,19-/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)OC)OC(=O)C)F
InChI: InChI=1S/C14H16FNO4/c1-8(15)12-13(18)16(14(12)20-9(2)17)10-4-6-11(19-3)7-5-10/h4-8,12,14H,1-3H3/t8-,12+,14+/m1/s1
SMILES: C1CCC(CC1)CN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO)C(=O)CC5CCCC5
InChI: InChI=1S/C29H40N2O5/c32-15-14-30-29(35)22-17-23(27(34)28-26(22)21-12-6-7-13-24(21)36-28)31(18-20-10-2-1-3-11-20)25(33)16-19-8-4-5-9-19/h6-7,12-13,17,19-20,23,26-28,32,34H,1-5,8-11,14-16,18H2,(H,30,35)/t23-,26+,27+,28+/m1/s1
SMILES: CC1=C(C=C(C=C1)[C@@H]2CN3CCC4=CC(=C(C=C4[C@H]3C[C@H]2N)OC)OC)C
InChI: InChI=1S/C23H30N2O2/c1-14-5-6-16(9-15(14)2)19-13-25-8-7-17-10-22(26-3)23(27-4)11-18(17)21(25)12-20(19)24/h5-6,9-11,19-21H,7-8,12-13,24H2,1-4H3/t19-,20+,21+/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C(=CC5=O)C)C(=O)N(C4=O)C6=CC(=C(C=C6)C)Cl)O
InChI: InChI=1S/C32H28ClNO6/c1-4-40-26-12-17(6-10-24(26)35)27-19-8-9-20-28(21(19)14-22-25(36)11-16(3)30(37)29(22)27)32(39)34(31(20)38)18-7-5-15(2)23(33)13-18/h5-8,10-13,20-21,27-28,35H,4,9,14H2,1-3H3/t20-,21+,27-,28-/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)CC#C)O)C)C)C)O)(C)O
InChI: InChI=1S/C39H65NO12/c1-14-16-40(12)26-17-21(4)47-36(29(26)41)51-34-23(6)31(50-28-19-37(9,46-13)33(43)25(8)48-28)24(7)35(44)49-27(15-2)39(11,45)32(42)22(5)30-20(3)18-38(34,10)52-30/h1,21-29,31-34,36,41-43,45H,15-19H2,2-13H3/t21-,22+,23+,24-,25+,26+,27-,28+,29-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3C(=O)[O-])Br)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H15BrFNO2/c20-11-8-15-13-2-1-3-14(13)17(10-4-6-12(21)7-5-10)22-18(15)16(9-11)19(23)24/h1-2,4-9,13-14,17,22H,3H2,(H,23,24)/p-1/t13-,14-,17-/m0/s1
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)O)C(=O)O)N
InChI: InChI=1S/C14H21N3O6/c1-5(15)10(18)16-6(2)11(19)17-14(13(22)23)4-3-7-8(9(7)14)12(20)21/h5-9H,3-4,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t5-,6-,7-,8-,9-,14-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C(=C\Br)/C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(C)C
InChI: InChI=1S/C20H26BrNO5/c1-12(2)16-9-4-13(3)10-18(16)27-20(24)17(11-21)19(23)14-5-7-15(8-6-14)22(25)26/h5-8,11-13,16,18-19,23H,4,9-10H2,1-3H3/b17-11-/t13-,16+,18-,19?/m1/s1
SMILES: CCOC(=O)[C@@]1(C/C=C(/C=C/CC/C=C(/C=C/[C@@H](C[C@@H]2C[C@H]1OC(O2)(C)C)O)\C)\C)C
InChI: InChI=1S/C26H40O5/c1-7-29-24(28)26(6)16-15-20(3)12-10-8-9-11-19(2)13-14-21(27)17-22-18-23(26)31-25(4,5)30-22/h10-15,21-23,27H,7-9,16-18H2,1-6H3/b12-10+,14-13+,19-11+,20-15+/t21-,22+,23+,26+/m0/s1
SMILES: C1[C@@H]([C@H]1C(=O)[C]2[CH][CH][CH][CH]2)C=O.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChI: InChI=1S/C10H9O2.C5H5.Fe/c11-6-8-5-9(8)10(12)7-3-1-2-4-7;1-2-4-5-3-1;/h1-4,6,8-9H,5H2;1-5H;/q;;+2/t8-,9+;;/m1../s1
SMILES: CC(C)(C)C1=CC(=C(C=C1)OC)[C@@H]2[C@H]([C@@H](ON2C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5
InChI: InChI=1S/C31H30ClNO3S/c1-31(2,3)21-14-17-25(35-4)24(19-21)28-27(29(34)26-11-8-18-37-26)30(20-12-15-22(32)16-13-20)36-33(28)23-9-6-5-7-10-23/h5-19,27-28,30H,1-4H3/t27-,28+,30-/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)N(CC=C)C3=CC=CC=C3
InChI: InChI=1S/C22H27N3O5/c1-3-13-24(17-10-5-4-6-11-17)18(26)15-30-19(27)14-25-20(28)22(23-21(25)29)12-8-7-9-16(22)2/h3-6,10-11,16H,1,7-9,12-15H2,2H3,(H,23,29)/t16-,22-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(=O)CCC2)C(C)(C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C24H32O4/c1-16-8-13-21(24(2,3)18-9-11-20(27-4)12-10-18)22(14-16)28-23(26)17-6-5-7-19(25)15-17/h9-12,15-16,21-22H,5-8,13-14H2,1-4H3/t16-,21-,22-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=C(C=C(C=C4)F)F)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C27H17F2NO5/c1-13-6-8-14(9-7-13)22-20-21(26(34)30(25(20)33)19-11-10-15(28)12-18(19)29)27(35-22)23(31)16-4-2-3-5-17(16)24(27)32/h2-12,20-22H,1H3/t20-,21+,22-/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)C4=CC=CC(=C4)CNC(=O)CCCC(=O)O)CSC5=CC=C(C=C5)NC(=O)C
InChI: InChI=1S/C39H42N2O7S/c1-25-35(24-49-34-19-17-33(18-20-34)41-26(2)43)47-39(48-38(25)30-11-9-27(23-42)10-12-30)31-15-13-29(14-16-31)32-6-3-5-28(21-32)22-40-36(44)7-4-8-37(45)46/h3,5-6,9-21,25,35,38-39,42H,4,7-8,22-24H2,1-2H3,(H,40,44)(H,41,43)(H,45,46)/t25-,35+,38+,39+/m0/s1
SMILES: COCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C17H22N2O6/c1-10-14(16(20)25-8-7-22-2)15(19-17(21)18-10)12-6-5-11(23-3)9-13(12)24-4/h5-6,9,14-15H,1,7-8H2,2-4H3,(H2,18,19,21)/t14-,15+/m1/s1
SMILES: C1[C@H]2[C@H]([C@@H]3[C@@H]1[C@@H]([C@H]2I)OC3=O)CO
InChI: InChI=1S/C9H11IO3/c10-7-3-1-4-6(5(3)2-11)9(12)13-8(4)7/h3-8,11H,1-2H2/t3-,4+,5+,6-,7-,8-/m0/s1
SMILES: C[C@H]1[C@@H](C(C[C@H](O1)O[Si](C)(C)C(C)(C)C)SC(=O)C)OC(=O)C
InChI: InChI=1S/C16H30O5SSi/c1-10-15(20-11(2)17)13(22-12(3)18)9-14(19-10)21-23(7,8)16(4,5)6/h10,13-15H,9H2,1-8H3/t10-,13?,14+,15-/m0/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)[C@H]2C[C@H](CO[C@]23CC[C@@H](CO3)CO)COCC4=CC=CC=C4
InChI: InChI=1S/C25H32O5S/c1-19-7-9-23(10-8-19)31(27)24-13-22(16-28-15-20-5-3-2-4-6-20)18-30-25(24)12-11-21(14-26)17-29-25/h2-10,21-22,24,26H,11-18H2,1H3/t21-,22+,24+,25-,31+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H19NO9S/c1-7(17)21-5-11-12(22-8(2)18)13(23-9(3)19)14(24-10(4)20)15(25-11)16-6-26/h11-15H,5H2,1-4H3/t11-,12+,13+,14-,15?/m1/s1
SMILES: CCCN(C)[C@@H]1CC2=CC(=C(C=C2[C@H]1C3=CC=CC=C3)O)Cl
InChI: InChI=1S/C19H22ClNO/c1-3-9-21(2)17-11-14-10-16(20)18(22)12-15(14)19(17)13-7-5-4-6-8-13/h4-8,10,12,17,19,22H,3,9,11H2,1-2H3/t17-,19-/m1/s1
SMILES: COC1=C(C(=C(C(=C1)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C(=O)N)C(=O)N(C3=O)C(=O)N)Br)Br)O
InChI: InChI=1S/C23H20Br2N4O8/c1-37-11-5-9(15(24)16(25)17(11)30)12-6-2-3-7-13(20(33)28(18(7)31)22(26)35)8(6)4-10-14(12)21(34)29(19(10)32)23(27)36/h2,5,7-8,10,12-14,30H,3-4H2,1H3,(H2,26,35)(H2,27,36)/t7-,8+,10+,12+,13-,14+/m0/s1
SMILES: CC(=O)OC1=CC=C(C=C1)C[C@H]2[C@H](N(C2=O)C3=CC=C(C=C3)OC)C(=O)O
InChI: InChI=1S/C20H19NO6/c1-12(22)27-16-7-3-13(4-8-16)11-17-18(20(24)25)21(19(17)23)14-5-9-15(26-2)10-6-14/h3-10,17-18H,11H2,1-2H3,(H,24,25)/t17-,18-/m0/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)NC4=CC=C(C=C4)C#N)I)O)O
InChI: InChI=1S/C18H16IN5O3/c1-9-14(25)15(26)18(27-9)24-7-12(19)13-16(21-8-22-17(13)24)23-11-4-2-10(6-20)3-5-11/h2-5,7-9,14-15,18,25-26H,1H3,(H,21,22,23)/t9-,14-,15-,18-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C
InChI: InChI=1S/C21H30N2O4S/c1-12-7-6-9-16(13(12)2)23-18(25)11-27-21(26)19-15-8-4-5-10-17(15)28-20(19)22-14(3)24/h12-13,16H,4-11H2,1-3H3,(H,22,24)(H,23,25)/t12-,13-,16+/m1/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC=CC=C4OCCO)C(=O)N(C3=O)C5=CC(=CC=C5)[N+](=O)[O-])[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC(=CC=C7)[N+](=O)[O-]
InChI: InChI=1S/C34H28N4O10/c39-13-14-48-27-10-2-1-9-23(27)28-22-11-12-24-29(33(42)35(31(24)40)18-5-3-7-20(15-18)37(44)45)25(22)17-26-30(28)34(43)36(32(26)41)19-6-4-8-21(16-19)38(46)47/h1-11,15-16,24-26,28-30,39H,12-14,17H2/t24-,25+,26+,28+,29-,30+/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)O
InChI: InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13+,14-,15-,16+,18+/m1/s1
SMILES: [3H]C1C([C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2N(C1=O)C)CC[C@@H]4C(=O)NCC5=CC=C(C=C5)C(=O)C6=CC=CC=C6)C)C)[3H]
InChI: InChI=1S/C34H42N2O3/c1-33-19-17-27-25(13-16-29-34(27,2)20-18-30(37)36(29)3)26(33)14-15-28(33)32(39)35-21-22-9-11-24(12-10-22)31(38)23-7-5-4-6-8-23/h4-12,25-29H,13-21H2,1-3H3,(H,35,39)/t25-,26-,27-,28+,29+,33-,34+/m0/s1/i18T,20T/t18?,20?,25-,26-,27-,28+,29+,33-,34+
SMILES: CC1([C@H](CC[C@@H]([C@H]1C=O)CO[Si](C)(C)C(C)(C)C)O)C
InChI: InChI=1S/C16H32O3Si/c1-15(2,3)20(6,7)19-11-12-8-9-14(18)16(4,5)13(12)10-17/h10,12-14,18H,8-9,11H2,1-7H3/t12-,13-,14+/m1/s1
SMILES: C\1[C@@H]([C@@H]2[C@H](C(=O)/C1=C(/C3=CC=CC=C3)\O)OC4=CC=CC=C24)C5=CC=CC=N5
InChI: InChI=1S/C24H19NO3/c26-22(15-8-2-1-3-9-15)18-14-17(19-11-6-7-13-25-19)21-16-10-4-5-12-20(16)28-24(21)23(18)27/h1-13,17,21,24,26H,14H2/b22-18-/t17-,21-,24-/m1/s1
SMILES: C[C@]12CCC[C@]3([C@@H]1[C@@H]([C@@H]4[C@]5(C2=CC(=O)O[C@@H]5O)O4)OC3=O)C
InChI: InChI=1S/C16H18O6/c1-14-4-3-5-15(2)10(14)9(21-12(15)18)11-16(22-11)7(14)6-8(17)20-13(16)19/h6,9-11,13,19H,3-5H2,1-2H3/t9-,10+,11+,13-,14+,15-,16-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@@]1(CC[C@H]2C4=CC(=O)OC4)O)CCC5=C[C@@H](CC[C@]35/C=N\O)O
InChI: InChI=1S/C23H31NO5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24-28)23(21,27)9-6-17(21)14-10-20(26)29-12-14/h10-11,13,16-19,25,27-28H,2-9,12H2,1H3/b24-13-/t16-,17+,18-,19+,21-,22-,23-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]2CC([C@@H]([C@]2([C@@H]3[C@]1(C=CC(=O)[C@H]3CO)C)O)CCC4(OCCO4)C)(C)C
InChI: InChI=1S/C24H36O7/c1-14(26)31-20-16-12-21(2,3)18(7-9-23(5)29-10-11-30-23)24(16,28)19-15(13-25)17(27)6-8-22(19,20)4/h6,8,15-16,18-20,25,28H,7,9-13H2,1-5H3/t15-,16-,18+,19+,20+,22-,24-/m1/s1
SMILES: CC1=CC(=CC(=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(C2=S)CC=C)C
InChI: InChI=1S/C16H20N2O2S2/c1-4-5-17-14-9-22(19,20)10-15(14)18(16(17)21)13-7-11(2)6-12(3)8-13/h4,6-8,14-15H,1,5,9-10H2,2-3H3/t14-,15-/m0/s1
SMILES: CCC1C(/C=C(/C=C/C(=O)C(CC(C(C([C@@H]([C@@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)CC=O)C)\C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC
InChI: InChI=1S/C40H67NO13/c1-12-31-28(20-50-40-37(49-11)36(48-10)33(45)26(7)52-40)17-21(2)13-14-30(43)22(3)18-27(15-16-42)35(24(5)32(44)25(6)38(47)53-31)54-39-34(46)29(41(8)9)19-23(4)51-39/h13-14,16-17,22-29,31-37,39-40,44-46H,12,15,18-20H2,1-11H3/b14-13+,21-17+/t22?,23-,24?,25+,26-,27?,28?,29+,31?,32+,33-,34-,35?,36-,37-,39+,40-/m1/s1
SMILES: C[C@H](/C=C/[C@H](CCC1OCCO1)C(C)(C)OCOC)[C@H]2CC[C@@H]3[C@@]2(CCCC3=O)C
InChI: InChI=1S/C25H42O5/c1-18(20-11-12-21-22(26)7-6-14-25(20,21)4)8-9-19(24(2,3)30-17-27-5)10-13-23-28-15-16-29-23/h8-9,18-21,23H,6-7,10-17H2,1-5H3/b9-8+/t18-,19-,20-,21+,25-/m1/s1
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1[N+]2=CC=CC(=C2)C(=O)N)O)O)CO
InChI: InChI=1S/C12H16N2O4/c13-12(18)7-2-1-3-14(5-7)9-4-8(6-15)10(16)11(9)17/h1-3,5,8-11,15-17H,4,6H2,(H-,13,18)/p+1/t8-,9-,10-,11+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)[NH+](C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H25NO9/c1-8(18)22-7-12-14(23-9(2)19)15(24-10(3)20)13(17(5)6)16(26-12)25-11(4)21/h12-16H,7H2,1-6H3/p+1/t12-,13-,14-,15-,16+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H](C2=C1C=C(C=C2O)O)C3=CC=C(C=C3)O)C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O
InChI: InChI=1S/C28H24O6/c29-19-5-1-15(2-6-19)24-12-18-11-23(33)14-25(34)27(18)28(16-3-7-20(30)8-4-16)26(24)17-9-21(31)13-22(32)10-17/h1-11,13-14,24,26,28-34H,12H2/t24-,26-,28+/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC1=C[C@@H](C[C@@H]2[C@H]1[C@@H](C(=O)N2)CC3=CC=CC=C3)N=[N+]=[N-]
InChI: InChI=1S/C24H36N4O2Si/c1-15(2)31(16(3)4,17(5)6)30-22-14-19(27-28-25)13-21-23(22)20(24(29)26-21)12-18-10-8-7-9-11-18/h7-11,14-17,19-21,23H,12-13H2,1-6H3,(H,26,29)/t19-,20+,21-,23-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@@H]4C=C5CCCC[C@@H]5[C@@H]([C@@H]4C(=O)N3C(=O)OCC6=CC=CC=C6)C(=O)O
InChI: InChI=1S/C38H43NO6Si/c1-38(2,3)46(28-18-9-5-10-19-28,29-20-11-6-12-21-29)45-25-32-31-23-27-17-13-14-22-30(27)34(36(41)42)33(31)35(40)39(32)37(43)44-24-26-15-7-4-8-16-26/h4-12,15-16,18-21,23,30-34H,13-14,17,22,24-25H2,1-3H3,(H,41,42)/t30-,31-,32+,33+,34-/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@H]1[C@@]2([C@H]3[C@@H](C(=NCN(N3C(=O)O2)CCCC4=C5C=CC=NC5=CC=C4)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)C)C)O[C@H]6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)(C)OC)C)C)C
InChI: InChI=1S/C44H65N5O9/c1-12-34-44(8)38-27(4)35(46-24-48(49(38)42(53)58-44)21-15-17-30-16-13-19-32-31(30)18-14-20-45-32)25(2)23-43(7,54-11)39(28(5)36(50)29(6)40(52)56-34)57-41-37(51)33(47(9)10)22-26(3)55-41/h13-14,16,18-20,25-29,33-34,37-39,41,51H,12,15,17,21-24H2,1-11H3/t25-,26-,27-,28+,29?,33+,34+,37-,38-,39-,41+,43+,44-/m1/s1
SMILES: C=CCNC(=O)[C@H]1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@H]1O)OC5=C(C=C4)O)O
InChI: InChI=1S/C24H30N2O5/c1-2-8-25-22(29)15-11-24(30)17-10-14-5-6-16(27)20-18(14)23(24,21(31-20)19(15)28)7-9-26(17)12-13-3-4-13/h2,5-6,13,15,17,19,21,27-28,30H,1,3-4,7-12H2,(H,25,29)/t15-,17+,19-,21-,23-,24+/m0/s1
SMILES: CC(=O)C1=CN(C[C@H]([C@H]1CC(=O)C2=CC3=CC=CC=C3N2C)C(=O)OC)C
InChI: InChI=1S/C21H24N2O4/c1-13(24)16-11-22(2)12-17(21(26)27-4)15(16)10-20(25)19-9-14-7-5-6-8-18(14)23(19)3/h5-9,11,15,17H,10,12H2,1-4H3/t15-,17+/m0/s1
SMILES: C1C[C@]2(CC3=CC=CC=C3[C@]2(NC1)C4=CC=CC=C4)NCCC5=CC=CC=C5
InChI: InChI=1S/C26H28N2/c1-3-10-21(11-4-1)16-19-27-25-17-9-18-28-26(25,23-13-5-2-6-14-23)24-15-8-7-12-22(24)20-25/h1-8,10-15,27-28H,9,16-20H2/t25-,26-/m1/s1
SMILES: CCCCCNC(=O)C1=COC(=N1)[C@@H]2[C@@H]3CC[C@H]([C@@H]2CC4=CC=CC=C4CCC(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O3
InChI: InChI=1S/C31H40N2O11/c1-2-3-6-13-32-28(38)19-15-41-29(33-19)23-18(20-10-11-21(23)42-20)14-17-8-5-4-7-16(17)9-12-22(34)43-31-26(37)24(35)25(36)27(44-31)30(39)40/h4-5,7-8,15,18,20-21,23-27,31,35-37H,2-3,6,9-14H2,1H3,(H,32,38)(H,39,40)/t18-,20+,21-,23-,24-,25-,26+,27-,31+/m0/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@@H]([C@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H17F3N2O4/c1-28-13-10-6-5-9-12(13)15-14(16(25)11-7-3-2-4-8-11)18(27,19(20,21)22)24-17(26)23-15/h2-10,14-15,27H,1H3,(H2,23,24,26)/t14-,15+,18-/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C/CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)C(C)C)C(=O)OC
InChI: InChI=1S/C21H28NO2.3C4H9.Sn/c1-5-12-22-17-10-11-19(22)20(21(23)24-4)18(13-17)16-8-6-15(7-9-16)14(2)3;3*1-3-4-2;/h1,5-9,14,17-20H,10-13H2,2-4H3;3*1,3-4H2,2H3;/t17-,18+,19+,20-;;;;/m0..../s1
SMILES: C1[C@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCC(=O)[O-]
InChI: InChI=1S/C12H13NO4/c14-8(15)3-4-13-11(16)9-6-1-2-7(5-6)10(9)12(13)17/h1-2,6-7,9-10H,3-5H2,(H,14,15)/p-1/t6-,7-,9-,10+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)C[C@H]([C@@H]4[C@@]3(CCC(=O)C4)C)O
InChI: InChI=1S/C21H32O4/c1-20-8-6-15-13(14(20)3-4-16(20)19(25)11-22)10-18(24)17-9-12(23)5-7-21(15,17)2/h13-18,22,24H,3-11H2,1-2H3/t13-,14-,15-,16+,17+,18+,20-,21+/m0/s1
SMILES: CCN(CC)C1=C2[C@H]3COC4=C([C@H]3OC2=CC(=C1)OCC5=CC=CC=C5)C=CC(=C4)OC
InChI: InChI=1S/C27H29NO4/c1-4-28(5-2)23-13-20(30-16-18-9-7-6-8-10-18)15-25-26(23)22-17-31-24-14-19(29-3)11-12-21(24)27(22)32-25/h6-15,22,27H,4-5,16-17H2,1-3H3/t22-,27-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C[C@H]([C@H]2CCC[C@H]2C(=O)C1)[Si](C)(C)C
InChI: InChI=1S/C19H36O2Si2/c1-19(2,3)23(7,8)21-14-12-17(20)15-10-9-11-16(15)18(13-14)22(4,5)6/h13,15-16,18H,9-12H2,1-8H3/t15-,16+,18-/m1/s1
SMILES: COC(=O)[C@H](CC1=C(NC2=CC=CC=C21)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)NC(=O)OCC8=CC=CC=C8
InChI: InChI=1S/C54H54N2O9/c1-59-53(57)46(56-54(58)64-36-42-27-15-6-16-28-42)31-44-43-29-17-18-30-45(43)55-48(44)50-52(63-35-41-25-13-5-14-26-41)51(62-34-40-23-11-4-12-24-40)49(61-33-39-21-9-3-10-22-39)47(65-50)37-60-32-38-19-7-2-8-20-38/h2-30,46-47,49-52,55H,31-37H2,1H3,(H,56,58)/t46-,47+,49+,50+,51-,52-/m0/s1
SMILES: C1=CC(=CN=C1)C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C(N=CN=C43)N)COP(=O)(O)O
InChI: InChI=1S/C16H17N6O8P/c17-13-10-14(20-6-19-13)22(7-21-10)15-11(23)12(9(29-15)5-28-31(25,26)27)30-16(24)8-2-1-3-18-4-8/h1-4,6-7,9,11-12,15,23H,5H2,(H2,17,19,20)(H2,25,26,27)/t9-,11-,12-,15-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)S(=O)(=O)N
InChI: InChI=1S/C19H20N2O2S/c1-12-5-7-13(8-6-12)19-16-4-2-3-15(16)17-11-14(24(20,22)23)9-10-18(17)21-19/h2-3,5-11,15-16,19,21H,4H2,1H3,(H2,20,22,23)/t15-,16+,19+/m1/s1
SMILES: C1C[C@H]2[C@@H](C2C(=O)[O-])CC[C@@H]3[C@@H]1C3C(=O)[O-]
InChI: InChI=1S/C12H16O4/c13-11(14)9-5-1-2-6-8(4-3-7(5)9)10(6)12(15)16/h5-10H,1-4H2,(H,13,14)(H,15,16)/p-2/t5-,6+,7-,8+,9?,10?
SMILES: CCN(CC)C1=CC=C(C=C1)/C=N\N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C45CC5
InChI: InChI=1S/C22H25N3O2/c1-3-24(4-2)15-7-5-14(6-8-15)13-23-25-20(26)18-16-9-10-17(19(18)21(25)27)22(16)11-12-22/h5-10,13,16-19H,3-4,11-12H2,1-2H3/b23-13-/t16-,17+,18-,19-/m0/s1
SMILES: CN(CC(=O)N)C(=O)[C@@H]1[C@H](CCN1C(=O)CSC)NC(=O)NCC=C
InChI: InChI=1S/C15H25N5O4S/c1-4-6-17-15(24)18-10-5-7-20(12(22)9-25-3)13(10)14(23)19(2)8-11(16)21/h4,10,13H,1,5-9H2,2-3H3,(H2,16,21)(H2,17,18,24)/t10-,13-/m0/s1
SMILES: COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C21H24O8/c1-27-15-8-13(3-2-12-4-6-14(23)7-5-12)9-16(10-15)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N[C@H]2[C@H]3COC(=O)[C@@H]3[C@@H](C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC
InChI: InChI=1S/C30H29NO9/c1-4-37-29(33)15-5-7-17(8-6-15)31-27-19-12-22-21(39-14-40-22)11-18(19)25(26-20(27)13-38-30(26)34)16-9-23(35-2)28(32)24(10-16)36-3/h5-12,20,25-27,31-32H,4,13-14H2,1-3H3/t20-,25+,26-,27+/m0/s1
SMILES: CCCC[N+](C)(C)CCC(=O)N[C@]1(CS(=O)(=O)C[C@@H]1S(=O)(=O)O)C
InChI: InChI=1S/C14H28N2O6S2/c1-5-6-8-16(3,4)9-7-13(17)15-14(2)11-23(18,19)10-12(14)24(20,21)22/h12H,5-11H2,1-4H3,(H-,15,17,20,21,22)/p+1/t12-,14-/m0/s1
SMILES: CC1(C(CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)O)CCl
InChI: InChI=1S/C23H23ClO7/c1-23(10-24)19(25)7-13-14(31-23)5-4-11-21(26)20-12-6-16(27-2)17(28-3)8-15(12)29-9-18(20)30-22(11)13/h4-6,8,18-20,25H,7,9-10H2,1-3H3/t18-,19?,20+,23?/m1/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C(=CC(=C4)Cl)Cl
InChI: InChI=1S/C19H17Cl2NO/c1-23-17-8-3-2-5-14(17)18-13-7-4-6-12(13)15-9-11(20)10-16(21)19(15)22-18/h2-6,8-10,12-13,18,22H,7H2,1H3/t12-,13+,18+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)CC(=C)C5=CC=CC=C5F)C
InChI: InChI=1S/C24H31FO4/c1-14-9-10-19-16(3)21(13-15(2)17-7-5-6-8-20(17)25)26-22-24(19)18(14)11-12-23(4,27-22)28-29-24/h5-8,14,16,18-19,21-22H,2,9-13H2,1,3-4H3/t14-,16-,18+,19+,21-,22-,23-,24-/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)N(N=N3)CC4=CC=CC(=C4)C
InChI: InChI=1S/C20H20N4O3/c1-3-27-16-9-7-15(8-10-16)24-19(25)17-18(20(24)26)23(22-21-17)12-14-6-4-5-13(2)11-14/h4-11,17-18H,3,12H2,1-2H3/t17-,18+/m1/s1
SMILES: C1[C@@H]([C@@H](OC(O1)C2=CC=CC=C2)C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C24H19NO4/c26-22-18-13-7-8-14-19(18)23(27)25(22)20-15-28-24(17-11-5-2-6-12-17)29-21(20)16-9-3-1-4-10-16/h1-14,20-21,24H,15H2/t20-,21-,24?/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CCC)[C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCCN5CC5)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C48H77N3O7/c1-5-9-10-11-12-13-14-15-16-23-45(54)51(26-6-2)44-36-42(49-57-8-4)40-34-37(21-17-19-30-52)39(22-18-20-31-53)46-41-35-38(55-33-29-50-27-28-50)24-25-43(41)58-48(44,47(40)46)56-32-7-3/h7,24-25,34-35,37,39,44,46-47,52-53H,3,5-6,8-23,26-33,36H2,1-2,4H3/t37-,39+,44-,46+,47+,48+/m0/s1
SMILES: COC(=O)COC1=CC=C(C=C1)[C@H]2[C@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)C(=O)O
InChI: InChI=1S/C22H21NO5/c1-27-20(24)12-28-15-8-5-13(6-9-15)21-17-4-2-3-16(17)18-11-14(22(25)26)7-10-19(18)23-21/h2-3,5-11,16-17,21,23H,4,12H2,1H3,(H,25,26)/t16-,17-,21-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC(=O)C)O)O
InChI: InChI=1S/C23H22O12/c1-8-17(29)19(31)22(33-9(2)24)23(32-8)35-21-18(30)16-14(28)6-11(25)7-15(16)34-20(21)10-3-4-12(26)13(27)5-10/h3-8,17,19,22-23,25-29,31H,1-2H3/t8-,17-,19+,22+,23-/m0/s1
SMILES: B1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C4=CC=CC=C4)(C5=CC=CC=C5)OC)C6=C(OC=C6)[C@H](C(C)(C)C)O
InChI: InChI=1S/C39H41BO6/c1-37(2,3)34(41)33-32(26-27-44-33)40-45-35(38(42-4,28-18-10-6-11-19-28)29-20-12-7-13-21-29)36(46-40)39(43-5,30-22-14-8-15-23-30)31-24-16-9-17-25-31/h6-27,34-36,41H,1-5H3/t34-,35-,36-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC=C3)C(=O)OC4=CC5=CC=CC=C5C=C4)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7CCCCC7)C
InChI: InChI=1S/C47H55NO5/c1-33-12-11-26-46(2)43(41-24-20-35(28-39(49)22-19-33)29-42(41)44(50)37-16-7-4-8-17-37)25-27-47(46,52)32-48(31-34-13-5-3-6-14-34)45(51)53-40-23-21-36-15-9-10-18-38(36)30-40/h3,5-6,9-10,12-15,18,20-21,23-24,29-30,37,39,43,49,52H,4,7-8,11,16-17,19,22,25-28,31-32H2,1-2H3/t39-,43-,46-,47+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@]([C@@H]1CC[C@H]([C@H]2CC(=O)NCC4=CC=CC=C4OC)O)(CO[C@H](O3)CC5=CC=CC=C5)C
InChI: InChI=1S/C31H41NO5/c1-30-16-15-27-31(2,20-36-29(37-27)17-21-9-5-4-6-10-21)26(30)14-13-24(33)23(30)18-28(34)32-19-22-11-7-8-12-25(22)35-3/h4-12,23-24,26-27,29,33H,13-20H2,1-3H3,(H,32,34)/t23-,24-,26-,27-,29-,30+,31+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)COC(=O)/C=C/C3=CC=C(O3)Br
InChI: InChI=1S/C18H22BrNO4/c19-16-9-7-14(24-16)8-10-18(22)23-12-17(21)20-11-3-5-13-4-1-2-6-15(13)20/h7-10,13,15H,1-6,11-12H2/b10-8+/t13-,15+/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@H]([C@@H]1CCC24OCCO4)CCC5=CC(=O)C=C[C@]35C
InChI: InChI=1S/C21H28O3/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h5,8,13,16-18H,3-4,6-7,9-12H2,1-2H3/t16-,17+,18+,19+,20-/m1/s1
SMILES: CC[C@@]12CCCN([C@@H]1C3=C(C4(C2)SCCCS4)NC5=CC=CC=C53)CCOCC6=CC=CC=C6
InChI: InChI=1S/C29H36N2OS2/c1-2-28-14-8-15-31(16-17-32-20-22-10-4-3-5-11-22)27(28)25-23-12-6-7-13-24(23)30-26(25)29(21-28)33-18-9-19-34-29/h3-7,10-13,27,30H,2,8-9,14-21H2,1H3/t27-,28+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@H]2CC3C[C@]2(CCC34OCCO4)[C@@]5(C1=CCCC5)C
InChI: InChI=1S/C21H30O4/c1-14(22)25-18-12-15-11-16-13-20(15,7-8-21(16)23-9-10-24-21)19(2)6-4-3-5-17(18)19/h5,15-16,18H,3-4,6-13H2,1-2H3/t15-,16?,18+,19+,20+/m1/s1
SMILES: CC(=O)CCCC(=O)N(CC1=CC=C(C=C1)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C30H35ClN2O8/c1-17(36)4-3-5-25(37)33(15-18-6-8-20(31)9-7-18)23-14-22(30(39)32-10-11-34)26-21-12-19(16-35)13-24(40-2)28(21)41-29(26)27(23)38/h6-9,12-14,23,26-27,29,34-35,38H,3-5,10-11,15-16H2,1-2H3,(H,32,39)/t23-,26+,27+,29+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)OCCCCl)OC
InChI: InChI=1S/C31H40ClNO9Si/c1-31(2,3)43(6,7)42-28-23(36-4)11-17(12-24(28)37-5)25-18-13-21-22(41-16-40-21)14-19(18)27(20-15-39-29(34)26(20)25)33-30(35)38-10-8-9-32/h11-14,20,25-27H,8-10,15-16H2,1-7H3,(H,33,35)/t20-,25+,26-,27+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N
InChI: InChI=1S/C19H21N3O6/c20-17(25)11-5-7-12(8-6-11)21-15(23)10-28-16(24)9-22-18(26)13-3-1-2-4-14(13)19(22)27/h5-8,13-14H,1-4,9-10H2,(H2,20,25)(H,21,23)/t13-,14-/m1/s1
SMILES: CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=C(N3)C=CC(=C4)C5=CC=C(C=C5)OC)(C6=C(C=C7C(=C6)[C@]89CCN1[C@H]8[C@@](C=CC1)([C@H]([C@@](C9N7C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
InChI: InChI=1S/C53H62N4O11/c1-8-49(62)26-32-27-52(47(60)66-6,43-36(17-21-55(28-32)29-49)37-23-34(13-16-40(37)54-43)33-11-14-35(64-4)15-12-33)39-24-38-41(25-42(39)65-5)57(30-58)45-51(38)19-22-56-20-10-18-50(9-2,44(51)56)46(68-31(3)59)53(45,63)48(61)67-7/h10-16,18,23-25,30,32,44-46,54,62-63H,8-9,17,19-22,26-29H2,1-7H3/t32-,44+,45?,46-,49+,50-,51-,52+,53+/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]
InChI: InChI=1S/C18H23NO5S/c1-4-24-18(23)13-9-14(10(2)3)25-16(13)19-15(20)11-7-5-6-8-12(11)17(21)22/h5-6,9-12H,4,7-8H2,1-3H3,(H,19,20)(H,21,22)/p-1/t11-,12+/m0/s1
SMILES: C1C=CC[C@H]([C@H]1C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C21H20N2O4/c24-19(15-10-4-5-11-16(15)21(26)27)23-18-13-7-6-12-17(18)20(25)22-14-8-2-1-3-9-14/h1-9,12-13,15-16H,10-11H2,(H,22,25)(H,23,24)(H,26,27)/t15-,16+/m0/s1
SMILES: CC1=CC(=CC(=C1)NC(=O)[C@@H]2[C@@H]3C=C[C@]4([C@@H]2C(=O)N(C4)CC5=CC=CO5)O3)C
InChI: InChI=1S/C22H22N2O4/c1-13-8-14(2)10-15(9-13)23-20(25)18-17-5-6-22(28-17)12-24(21(26)19(18)22)11-16-4-3-7-27-16/h3-10,17-19H,11-12H2,1-2H3,(H,23,25)/t17-,18+,19-,22-/m0/s1
SMILES: CCO[C@H]1C[C@@H]([C@@H]2[C@@H](O1)C=CC(=O)O2)CC(=O)OCC
InChI: InChI=1S/C14H20O6/c1-3-17-12(16)7-9-8-13(18-4-2)19-10-5-6-11(15)20-14(9)10/h5-6,9-10,13-14H,3-4,7-8H2,1-2H3/t9-,10-,13+,14+/m0/s1