INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(4158, '', '', 'Flavonoids', 'Flavonoids', 'Flavanones', 'O=[C:4]2[CH2:3][C@@H:2]([c:101]1[cH:106][cH:105][c:104](O)[c:103](O)[cH:102]1)O[c:9]3[c:8](O)[c:7](O)[cH:6][cH:5][c:10]23', 'O=C2C[C@@H](c1ccc(O)c(O)c1)Oc3c(O)c(O)ccc23', 'O=[C:195]2[CH2:44][C@@H:80]([c:132]1[cH:120][cH:117][c:146](O)[c:146](O)[cH:115]1)O[c:152]3[c:134](O)[c:153](O)[cH:111][cH:120][c:111]23', '21 23 O 16.75 -10.88 O 22.81 -4.57 O 11.90 -6.69 C:105 21.61 -6.69 C:103 20.40 -4.58 C:106 20.40 -7.39 C:102 19.20 -5.28 C:8 14.34 -6.69 C:3 17.98 -8.79 O 16.75 -6.69 C:4 16.75 -9.49 C:104 21.61 -5.28 C:7 13.12 -7.39 C:5 14.34 -9.49 C:101 19.20 -6.69 C:9 15.55 -7.39 C:6 13.12 -8.79 C:10 15.55 -8.79 C:2 17.98 -7.39 O 20.39 -3.18 O 14.35 -5.29 1 11 2 2 12 1 3 13 1 4 6 1 4 12 2 5 7 2 5 12 1 6 15 2 7 15 1 8 13 2 8 16 1 9 11 1 9 19 1 10 16 1 10 19 1 11 18 1 13 17 1 14 17 2 14 18 1 19 15 -2 16 18 2 5 20 1 8 21 1', '21 23 O 16.75 -10.88 O 22.81 -4.57 O 11.90 -6.69 C 21.61 -6.69 C 20.40 -4.58 C 20.40 -7.39 C 19.20 -5.28 C 14.34 -6.69 C 17.98 -8.79 O 16.75 -6.69 C 16.75 -9.49 C 21.61 -5.28 C 13.12 -7.39 C 14.34 -9.49 C 19.20 -6.69 C 15.55 -7.39 C 13.12 -8.79 C 15.55 -8.79 C 17.98 -7.39 O 20.39 -3.18 O 14.35 -5.29 1 11 2 2 12 1 3 13 1 4 6 1 4 12 2 5 7 2 5 12 1 6 15 2 7 15 1 8 13 2 8 16 1 9 11 1 9 19 1 10 16 1 10 19 1 11 18 1 13 17 1 14 17 2 14 18 1 19 15 -2 16 18 2 5 20 1 8 21 1', '21 23 O 16.75 -10.88 O 22.81 -4.57 O 11.90 -6.69 C:117 21.61 -6.69 C:146 20.40 -4.58 C:120 20.40 -7.39 C:115 19.20 -5.28 C:134 14.34 -6.69 C:44 17.98 -8.79 O 16.75 -6.69 C:195 16.75 -9.49 C:146 21.61 -5.28 C:153 13.12 -7.39 C:120 14.34 -9.49 C:132 19.20 -6.69 C:152 15.55 -7.39 C:111 13.12 -8.79 C:111 15.55 -8.79 C:80 17.98 -7.39 O 20.39 -3.18 O 14.35 -5.29 1 11 2 2 12 1 3 13 1 4 6 1 4 12 2 5 7 2 5 12 1 6 15 2 7 15 1 8 13 2 8 16 1 9 11 1 9 19 1 10 16 1 10 19 1 11 18 1 13 17 1 14 17 2 14 18 1 19 15 -2 16 18 2 5 20 1 8 21 1', 'C15H12O6', 288.157, 'A', 'Fv-3.80', 1241, '', '', '3', 1, NULL, NULL),
(4159, '', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH3:8004][C:8003]([CH3:8005])=[CH:8002][CH2:8001][c:8]3[c:7]1O[C:6003]([CH3:6005])([CH3:6004])[CH:6002]=[CH:6001][c:6]1[c:5](O)[c:10]4[C:4](=O)[CH2:3][CH:2]([c:101]2[cH:102][cH:103][c:104](O)[cH:105][cH:106]2)O[c:9]34', 'CC(C)=CCc3c1OC(C)(C)C=Cc1c(O)c4C(=O)CC(c2ccc(O)cc2)Oc34', '[CH3:9999][C:9999]([CH3:9999])=[CH:9999][CH2:9999][c:102]3[c:159]1O[C:9999]([CH3:9999])([CH3:9999])[CH:9999]=[CH:9999][c:108]1[c:156](O)[c:102]4[C:196](=O)[CH2:42][CH:78]([c:130]2[cH:127][cH:115][c:156](O)[cH:115][cH:127]2)O[c:159]34', '30 33 C:8005 14.25 -5.00 C:8004 11.83 -4.98 C:6004 8.15 -8.48 C:6005 6.94 -10.58 O 14.22 -13.38 O 11.81 -13.38 C:8002 13.03 -7.09 C:104 19.07 -7.78 C:105 19.07 -9.18 C:103 17.86 -7.08 C:106 17.86 -9.88 C:8001 11.81 -7.78 C:6001 9.37 -11.98 C:6002 8.15 -11.28 C:3 15.43 -11.28 O 14.22 -9.18 O 9.37 -9.18 C:8003 13.04 -5.69 C:4 14.22 -11.98 C:102 16.65 -7.78 C:5 11.80 -11.98 C:8 11.80 -9.18 C:6 10.58 -11.28 C:101 16.65 -9.18 C:7 10.58 -9.88 C:9 13.01 -9.88 C:10 13.01 -11.28 C:2 15.43 -9.88 C:6003 8.15 -9.88 O 20.28 -7.08 1 18 1 2 18 1 3 29 1 4 29 1 5 19 2 6 21 1 7 12 1 7 18 2 8 9 2 8 10 1 9 11 1 10 20 2 11 24 2 12 22 1 13 14 2 13 23 1 14 29 1 15 19 1 15 28 1 16 26 1 16 28 1 17 25 1 17 29 1 19 27 1 20 24 1 21 23 1 21 27 2 22 25 1 22 26 2 23 25 2 24 28 1 26 27 1 8 30 1', '30 33 C 14.25 -5.00 C 11.83 -4.98 C 8.15 -8.48 C 6.94 -10.58 O 14.22 -13.38 O 11.81 -13.38 C 13.03 -7.09 C 19.07 -7.78 C 19.07 -9.18 C 17.86 -7.08 C 17.86 -9.88 C 11.81 -7.78 C 9.37 -11.98 C 8.15 -11.28 C 15.43 -11.28 O 14.22 -9.18 O 9.37 -9.18 C 13.04 -5.69 C 14.22 -11.98 C 16.65 -7.78 C 11.80 -11.98 C 11.80 -9.18 C 10.58 -11.28 C 16.65 -9.18 C 10.58 -9.88 C 13.01 -9.88 C 13.01 -11.28 C 15.43 -9.88 C 8.15 -9.88 O 20.28 -7.08 1 18 1 2 18 1 3 29 1 4 29 1 5 19 2 6 21 1 7 12 1 7 18 2 8 9 2 8 10 1 9 11 1 10 20 2 11 24 2 12 22 1 13 14 2 13 23 1 14 29 1 15 19 1 15 28 1 16 26 1 16 28 1 17 25 1 17 29 1 19 27 1 20 24 1 21 23 1 21 27 2 22 25 1 22 26 2 23 25 2 24 28 1 26 27 1 8 30 1', '30 33 C 14.25 -5.00 C 11.83 -4.98 C 8.15 -8.48 C 6.94 -10.58 O 14.22 -13.38 O 11.81 -13.38 C 13.03 -7.09 C:156 19.07 -7.78 C:115 19.07 -9.18 C:115 17.86 -7.08 C:127 17.86 -9.88 C 11.81 -7.78 C 9.37 -11.98 C 8.15 -11.28 C:42 15.43 -11.28 O 14.22 -9.18 O 9.37 -9.18 C 13.04 -5.69 C:196 14.22 -11.98 C:127 16.65 -7.78 C:156 11.80 -11.98 C:102 11.80 -9.18 C:108 10.58 -11.28 C:130 16.65 -9.18 C:159 10.58 -9.88 C:159 13.01 -9.88 C:102 13.01 -11.28 C:78 15.43 -9.88 C 8.15 -9.88 O 20.28 -7.08 1 18 1 2 18 1 3 29 1 4 29 1 5 19 2 6 21 1 7 12 1 7 18 2 8 9 2 8 10 1 9 11 1 10 20 2 11 24 2 12 22 1 13 14 2 13 23 1 14 29 1 15 19 1 15 28 1 16 26 1 16 28 1 17 25 1 17 29 1 19 27 1 20 24 1 21 23 1 21 27 2 22 25 1 22 26 2 23 25 2 24 28 1 26 27 1 8 30 1', 'C25H26O5', 406.264, '-', 'Fv-3.81', 989, '', '', '3', 1, NULL, NULL),
(4160, '', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH3:6001][c:6]3[c:7](O)[c:8]([CH3:8001])[c:9]2O[CH:2]([c:101]1[cH:106][cH:105][cH:104][cH:103][c:102]1O)[CH2:3][C:4](=O)[c:10]2[c:5]3O', 'Cc3c(O)c(C)c2OC(c1ccccc1O)CC(=O)c2c3O', '[CH3:7][c:103]3[c:163](O)[c:103]([CH3:8])[c:159]2O[CH:75]([c:127]1[cH:127][cH:121][cH:130][cH:116][c:155]1O)[CH2:43][C:198](=O)[c:104]2[c:160]3O', '22 24 C:3 17.34 -11.57 C:2 17.34 -10.17 O 16.11 -9.47 C:9 14.91 -10.17 C:10 14.91 -11.57 C:4 16.11 -12.27 C:8 13.71 -9.47 C:7 12.49 -10.17 C:6 12.49 -11.57 C:5 13.71 -12.27 C:101 18.56 -9.47 C:106 19.76 -10.17 C:105 20.97 -9.47 C:104 20.97 -8.06 C:103 19.76 -7.36 C:102 18.56 -8.06 O 16.11 -13.66 O 11.27 -9.47 C:8001 13.73 -8.07 O 13.73 -13.67 C:6001 11.28 -12.27 O 17.36 -7.34 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 1 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 7 19 1 10 20 1 9 21 1 16 22 1', '22 24 C 17.34 -11.57 C 17.34 -10.17 O 16.11 -9.47 C 14.91 -10.17 C 14.91 -11.57 C 16.11 -12.27 C 13.71 -9.47 C 12.49 -10.17 C 12.49 -11.57 C 13.71 -12.27 C 18.56 -9.47 C 19.76 -10.17 C 20.97 -9.47 C 20.97 -8.06 C 19.76 -7.36 C 18.56 -8.06 O 16.11 -13.66 O 11.27 -9.47 C 13.73 -8.07 O 13.73 -13.67 C 11.28 -12.27 O 17.36 -7.34 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 1 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 7 19 1 10 20 1 9 21 1 16 22 1', '22 24 C:43 17.34 -11.57 C:75 17.34 -10.17 O 16.11 -9.47 C:159 14.91 -10.17 C:104 14.91 -11.57 C:198 16.11 -12.27 C:103 13.71 -9.47 C:163 12.49 -10.17 C:103 12.49 -11.57 C:160 13.71 -12.27 C:127 18.56 -9.47 C:127 19.76 -10.17 C:121 20.97 -9.47 C:130 20.97 -8.06 C:116 19.76 -7.36 C:155 18.56 -8.06 O 16.11 -13.66 O 11.27 -9.47 C:8 13.73 -8.07 O 13.73 -13.67 C:7 11.28 -12.27 O 17.36 -7.34 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 1 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 7 19 1 10 20 1 9 21 1 16 22 1', 'C17H16O5', 300.179, 'A', 'Fv-3.82', 266, '', '', '3', 1, NULL, NULL),
(4161, '', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH3:7001]O[c:7]3[c:6]([CH3:6001])[c:5](O)[c:10]2[C:4](=O)[CH2:3][CH:2]([c:101]1[cH:106][cH:105][cH:104][cH:103][c:102]1O)O[c:9]2[c:8]3[CH3:8001]', 'COc3c(C)c(O)c2C(=O)CC(c1ccccc1O)Oc2c3C', '[CH3:60]O[c:166]3[c:111]([CH3:88])[c:160](O)[c:106]2[C:199](=O)[CH2:43][CH:75]([c:127]1[cH:127][cH:121][cH:130][cH:116][c:155]1O)O[c:159]2[c:110]3[CH3:9]', '23 25 C:3 17.34 -11.91 C:2 17.34 -10.51 O 16.11 -9.81 C:9 14.91 -10.51 C:10 14.91 -11.91 C:4 16.11 -12.61 C:8 13.71 -9.81 C:7 12.49 -10.51 C:6 12.49 -11.91 C:5 13.71 -12.61 C:101 18.56 -9.81 C:106 19.76 -10.51 C:105 20.97 -9.81 C:104 20.97 -8.40 C:103 19.76 -7.70 C:102 18.56 -8.40 O 16.11 -14.00 O 11.27 -9.81 C:8001 13.73 -8.41 O 13.73 -14.01 C:6001 11.28 -12.61 O 17.36 -7.68 C:7001 11.27 -8.41 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 1 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 7 19 1 10 20 1 9 21 1 16 22 1 18 23 1', '23 25 C 17.34 -11.91 C 17.34 -10.51 O 16.11 -9.81 C 14.91 -10.51 C 14.91 -11.91 C 16.11 -12.61 C 13.71 -9.81 C 12.49 -10.51 C 12.49 -11.91 C 13.71 -12.61 C 18.56 -9.81 C 19.76 -10.51 C 20.97 -9.81 C 20.97 -8.40 C 19.76 -7.70 C 18.56 -8.40 O 16.11 -14.00 O 11.27 -9.81 C 13.73 -8.41 O 13.73 -14.01 C 11.28 -12.61 O 17.36 -7.68 C 11.27 -8.41 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 1 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 7 19 1 10 20 1 9 21 1 16 22 1 18 23 1', '23 25 C:43 17.34 -11.91 C:75 17.34 -10.51 O 16.11 -9.81 C:159 14.91 -10.51 C:106 14.91 -11.91 C:199 16.11 -12.61 C:110 13.71 -9.81 C:166 12.49 -10.51 C:111 12.49 -11.91 C:160 13.71 -12.61 C:127 18.56 -9.81 C:127 19.76 -10.51 C:121 20.97 -9.81 C:130 20.97 -8.40 C:116 19.76 -7.70 C:155 18.56 -8.40 O 16.11 -14.00 O 11.27 -9.81 C:9 13.73 -8.41 O 13.73 -14.01 C:8 11.28 -12.61 O 17.36 -7.68 C:60 11.27 -8.41 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 1 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 7 19 1 10 20 1 9 21 1 16 22 1 18 23 1', 'C18H18O5', 314.19, 'A', 'Fv-3.83', 266, '', '', '3', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(4177, 'Kuwanol B', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH2:8005]=[C:8003]([CH3:8004])[CH:8002]([CH2:8006][CH:8007]=[C:8008]([CH3:8010])[CH3:8009])[CH2:8001][c:8]2[c:7](O)[c:6]([CH2:6001][CH:6002]=[C:6003]([CH3:6005])[CH3:6004])[c:5](O)[c:10]3[C:4](=O)[CH2:3][CH:2]([c:101]1[cH:106][cH:105][c:104](O)[cH:103][c:102]1O)O[c:9]23', 'C=C(C)C(CC=C(C)C)Cc2c(O)c(CC=C(C)C)c(O)c3C(=O)CC(c1ccc(O)cc1O)Oc23', '[CH2:111]=[C:149]([CH3:20])[CH:48]([CH2:32][CH:124]=[C:130]([CH3:26])[CH3:18])[CH2:28][c:108]2[c:163](O)[c:109]([CH2:22][CH:123]=[C:132]([CH3:26])[CH3:18])[c:160](O)[c:104]3[C:198](=O)[CH2:43][CH:76]([c:112]1[cH:129][cH:108][c:159](O)[cH:104][c:156]1O)O[c:160]23', '36 38 C:8005 11.36 -7.81 C:6004 8.88 -12.29 C:6005 10.07 -14.42 C:8009 12.66 -1.76 C:8010 10.21 -1.72 C:8004 10.15 -5.94 O 16.21 -12.31 O 22.28 -6.00 O 17.43 -6.00 O 11.13 -8.41 O 13.78 -12.31 C:6002 11.32 -12.31 C:8007 11.41 -3.85 C:105 21.07 -8.10 C:106 19.84 -8.80 C:103 19.84 -6.00 C:6001 11.33 -10.89 C:8006 12.60 -4.56 C:3 17.42 -10.20 C:8001 13.79 -6.69 O 16.21 -8.10 C:6003 10.08 -13.00 C:8008 11.41 -2.44 C:8003 11.37 -6.65 C:4 16.21 -10.90 C:104 21.07 -6.69 C:102 18.63 -6.69 C:7 12.53 -8.80 C:5 13.77 -10.90 C:101 18.63 -8.10 C:6 12.53 -10.20 C:8 13.77 -8.10 C:9 14.99 -8.80 C:10 14.99 -10.20 C:8002 12.58 -5.98 C:2 17.42 -8.80 1 24 2 2 22 1 3 22 1 4 23 1 5 23 1 6 24 1 7 25 2 8 26 1 9 27 1 10 28 1 11 29 1 12 17 1 12 22 2 13 18 1 13 23 2 14 15 1 14 26 2 15 30 2 16 26 1 16 27 2 17 31 1 18 35 1 19 25 1 19 36 1 20 32 1 20 35 1 21 33 1 21 36 1 24 35 1 25 34 1 27 30 1 28 31 2 28 32 1 29 31 1 29 34 2 30 36 1 32 33 2 33 34 1', '36 38 C 11.36 -7.81 C 8.88 -12.29 C 10.07 -14.42 C 12.66 -1.76 C 10.21 -1.72 C 10.15 -5.94 O 16.21 -12.31 O 22.28 -6.00 O 17.43 -6.00 O 11.13 -8.41 O 13.78 -12.31 C 11.32 -12.31 C 11.41 -3.85 C 21.07 -8.10 C 19.84 -8.80 C 19.84 -6.00 C 11.33 -10.89 C 12.60 -4.56 C 17.42 -10.20 C 13.79 -6.69 O 16.21 -8.10 C 10.08 -13.00 C 11.41 -2.44 C 11.37 -6.65 C 16.21 -10.90 C 21.07 -6.69 C 18.63 -6.69 C 12.53 -8.80 C 13.77 -10.90 C 18.63 -8.10 C 12.53 -10.20 C 13.77 -8.10 C 14.99 -8.80 C 14.99 -10.20 C 12.58 -5.98 C 17.42 -8.80 1 24 2 2 22 1 3 22 1 4 23 1 5 23 1 6 24 1 7 25 2 8 26 1 9 27 1 10 28 1 11 29 1 12 17 1 12 22 2 13 18 1 13 23 2 14 15 1 14 26 2 15 30 2 16 26 1 16 27 2 17 31 1 18 35 1 19 25 1 19 36 1 20 32 1 20 35 1 21 33 1 21 36 1 24 35 1 25 34 1 27 30 1 28 31 2 28 32 1 29 31 1 29 34 2 30 36 1 32 33 2 33 34 1', '36 38 C:111 11.36 -7.81 C:18 8.88 -12.29 C:26 10.07 -14.42 C:18 12.66 -1.76 C:26 10.21 -1.72 C:20 10.15 -5.94 O 16.21 -12.31 O 22.28 -6.00 O 17.43 -6.00 O 11.13 -8.41 O 13.78 -12.31 C:123 11.32 -12.31 C:124 11.41 -3.85 C:108 21.07 -8.10 C:129 19.84 -8.80 C:104 19.84 -6.00 C:22 11.33 -10.89 C:32 12.60 -4.56 C:43 17.42 -10.20 C:28 13.79 -6.69 O 16.21 -8.10 C:132 10.08 -13.00 C:130 11.41 -2.44 C:149 11.37 -6.65 C:198 16.21 -10.90 C:159 21.07 -6.69 C:156 18.63 -6.69 C:163 12.53 -8.80 C:160 13.77 -10.90 C:112 18.63 -8.10 C:109 12.53 -10.20 C:108 13.77 -8.10 C:160 14.99 -8.80 C:104 14.99 -10.20 C:48 12.58 -5.98 C:76 17.42 -8.80 1 24 2 2 22 1 3 22 1 4 23 1 5 23 1 6 24 1 7 25 2 8 26 1 9 27 1 10 28 1 11 29 1 12 17 1 12 22 2 13 18 1 13 23 2 14 15 1 14 26 2 15 30 2 16 26 1 16 27 2 17 31 1 18 35 1 19 25 1 19 36 1 20 32 1 20 35 1 21 33 1 21 36 1 24 35 1 25 34 1 27 30 1 28 31 2 28 32 1 29 31 1 29 34 2 30 36 1 32 33 2 33 34 1', 'C30H36O6', 492.317, 'A', 'Fv-3.100', 1245, '', '', '3', 1, NULL, NULL),
(4178, 'Kushenol E', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH3:6004][C:6003]([CH3:6005])=[CH:6002][CH2:6001][c:6]3[c:7](O)[c:8]([CH2:8001][CH:8002]=[C:8003]([CH3:8004])[CH3:8005])[c:9]2O[CH:2]([c:101]1[cH:106][cH:105][c:104](O)[cH:103][c:102]1O)[CH2:3][C:4](=O)[c:10]2[c:5]3O', 'CC(C)=CCc3c(O)c(CC=C(C)C)c2OC(c1ccc(O)cc1O)CC(=O)c2c3O', '[CH3:18][C:134]([CH3:26])=[CH:123][CH2:22][c:109]3[c:162](O)[c:108]([CH2:23][CH:124]=[C:132]([CH3:18])[CH3:26])[c:160]2O[CH:75]([c:118]1[cH:129][cH:108][c:156](O)[cH:104][c:159]1O)[CH2:43][C:198](=O)[c:103]2[c:159]3O', '31 33 O 13.95 -12.37 O 20.02 -6.08 C:105 18.81 -8.18 C:106 17.59 -8.88 C:102 16.38 -6.78 C:8 11.53 -8.18 C:3 15.16 -10.28 O 9.09 -8.18 O 11.54 -12.37 O 13.95 -8.18 C:4 13.95 -10.98 C:104 18.81 -6.78 C:101 16.38 -8.18 C:103 17.59 -6.08 C:7 10.30 -8.88 C:9 12.74 -8.88 C:6 10.30 -10.28 C:5 11.53 -10.98 C:10 12.74 -10.28 C:2 15.16 -8.88 O 15.17 -6.08 C:8001 11.55 -6.78 C:8002 10.35 -6.06 C:8003 10.37 -4.66 C:8005 9.17 -3.94 C:8004 11.59 -3.98 C:6001 9.09 -10.97 C:6002 9.08 -12.37 C:6003 7.86 -13.06 C:6005 7.85 -14.46 C:6004 6.65 -12.35 1 11 2 2 12 1 3 4 1 3 12 2 4 13 2 5 13 1 5 14 2 6 15 1 6 16 2 7 11 1 7 20 1 8 15 1 9 18 1 10 16 1 10 20 1 11 19 1 12 14 1 13 20 1 15 17 2 16 19 1 17 18 1 18 19 2 5 21 1 6 22 1 22 23 1 23 24 2 24 25 1 24 26 1 17 27 1 27 28 1 28 29 2 29 30 1 29 31 1', '31 33 O 13.95 -12.37 O 20.02 -6.08 C 18.81 -8.18 C 17.59 -8.88 C 16.38 -6.78 C 11.53 -8.18 C 15.16 -10.28 O 9.09 -8.18 O 11.54 -12.37 O 13.95 -8.18 C 13.95 -10.98 C 18.81 -6.78 C 16.38 -8.18 C 17.59 -6.08 C 10.30 -8.88 C 12.74 -8.88 C 10.30 -10.28 C 11.53 -10.98 C 12.74 -10.28 C 15.16 -8.88 O 15.17 -6.08 C 11.55 -6.78 C 10.35 -6.06 C 10.37 -4.66 C 9.17 -3.94 C 11.59 -3.98 C 9.09 -10.97 C 9.08 -12.37 C 7.86 -13.06 C 7.85 -14.46 C 6.65 -12.35 1 11 2 2 12 1 3 4 1 3 12 2 4 13 2 5 13 1 5 14 2 6 15 1 6 16 2 7 11 1 7 20 1 8 15 1 9 18 1 10 16 1 10 20 1 11 19 1 12 14 1 13 20 1 15 17 2 16 19 1 17 18 1 18 19 2 5 21 1 6 22 1 22 23 1 23 24 2 24 25 1 24 26 1 17 27 1 27 28 1 28 29 2 29 30 1 29 31 1', '31 33 O 13.95 -12.37 O 20.02 -6.08 C:108 18.81 -8.18 C:129 17.59 -8.88 C:159 16.38 -6.78 C:108 11.53 -8.18 C:43 15.16 -10.28 O 9.09 -8.18 O 11.54 -12.37 O 13.95 -8.18 C:198 13.95 -10.98 C:156 18.81 -6.78 C:118 16.38 -8.18 C:104 17.59 -6.08 C:162 10.30 -8.88 C:160 12.74 -8.88 C:109 10.30 -10.28 C:159 11.53 -10.98 C:103 12.74 -10.28 C:75 15.16 -8.88 O 15.17 -6.08 C:23 11.55 -6.78 C:124 10.35 -6.06 C:132 10.37 -4.66 C:26 9.17 -3.94 C:18 11.59 -3.98 C:22 9.09 -10.97 C:123 9.08 -12.37 C:134 7.86 -13.06 C:26 7.85 -14.46 C:18 6.65 -12.35 1 11 2 2 12 1 3 4 1 3 12 2 4 13 2 5 13 1 5 14 2 6 15 1 6 16 2 7 11 1 7 20 1 8 15 1 9 18 1 10 16 1 10 20 1 11 19 1 12 14 1 13 20 1 15 17 2 16 19 1 17 18 1 18 19 2 5 21 1 6 22 1 22 23 1 23 24 2 24 25 1 24 26 1 17 27 1 27 28 1 28 29 2 29 30 1 29 31 1', 'C25H28O6', 424.264, 'A', 'Fv-3.101', 1248, '', '', '3', 1, NULL, NULL),
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(4193, '', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH3:8004][C:8003]([CH3:8005])=[CH:8002][CH2:8001][c:8]4[c:7]1O[C:6003]([CH3:6005])([CH3:6004])[CH:6002]=[CH:6001][c:6]1[c:5](O)[c:10]5[C:4](=O)[C:3]3([CH2:3001][CH:3002]=[C:3003]([CH3:3004])[CH3:3005])O[c:106]2[cH:105][c:104](O)[cH:103][cH:102][c:101]2[C:2]3(O)O[c:9]45', 'CC(C)=CCc4c1OC(C)(C)C=Cc1c(O)c5C(=O)C3(CC=C(C)C)Oc2cc(O)ccc2C3(O)Oc45', '[CH3:9999][C:9999]([CH3:9999])=[CH:9999][CH2:9999][c:109]4[c:161]1O[C:9999]([CH3:9999])([CH3:9999])[CH:9999]=[CH:9999][c:103]1[c:198](O)[c:101]5[C:190](=O)[C:92]3([CH2:32][CH:119]=[C:137]([CH3:18])[CH3:26])O[c:160]2[cH:100][c:161](O)[cH:110][cH:126][c:121]2[C:103]3(O)O[c:162]45', '37 41 C:8005 11.64 -3.89 C:8004 14.07 -3.89 C:3005 17.49 -14.46 C:3004 15.06 -14.35 C:6004 6.76 -9.20 C:6005 8.07 -7.40 O 14.00 -12.24 O 19.93 -6.03 O 11.66 -12.21 O 15.19 -7.36 C:6001 9.24 -10.83 C:6002 8.06 -10.15 C:8002 12.86 -5.99 C:3002 16.32 -12.31 C:103 17.56 -6.03 C:102 16.38 -6.71 C:105 18.74 -8.09 C:8001 11.65 -6.69 C:3001 15.19 -11.55 O 17.24 -10.28 O 9.25 -8.09 O 14.00 -8.09 C:8003 12.86 -4.59 C:3003 16.31 -13.71 C:4 14.00 -10.83 C:104 18.74 -6.71 C:5 11.65 -10.83 C:6 10.43 -10.15 C:106 17.56 -8.77 C:8 11.65 -8.09 C:101 16.38 -8.09 C:7 10.43 -8.77 C:9 12.83 -8.77 C:10 12.83 -10.15 C:6003 8.07 -8.77 C:2 15.19 -8.77 C:3 15.19 -10.15 1 23 1 2 23 1 3 24 1 4 24 1 5 35 1 6 35 1 7 25 2 8 26 1 9 27 1 10 36 1 11 12 2 11 28 1 12 35 1 13 18 1 13 23 2 14 19 1 14 24 2 15 16 2 15 26 1 16 31 1 17 26 2 17 29 1 18 30 1 19 37 1 20 29 1 20 37 1 21 32 1 21 35 1 22 33 1 22 36 1 25 34 1 25 37 1 27 28 2 27 34 1 28 32 1 29 31 2 30 32 2 30 33 1 31 36 1 33 34 2 36 37 1', '37 41 C 11.64 -3.89 C 14.07 -3.89 C 17.49 -14.46 C 15.06 -14.35 C 6.76 -9.20 C 8.07 -7.40 O 14.00 -12.24 O 19.93 -6.03 O 11.66 -12.21 O 15.19 -7.36 C 9.24 -10.83 C 8.06 -10.15 C 12.86 -5.99 C 16.32 -12.31 C 17.56 -6.03 C 16.38 -6.71 C 18.74 -8.09 C 11.65 -6.69 C 15.19 -11.55 O 17.24 -10.28 O 9.25 -8.09 O 14.00 -8.09 C 12.86 -4.59 C 16.31 -13.71 C 14.00 -10.83 C 18.74 -6.71 C 11.65 -10.83 C 10.43 -10.15 C 17.56 -8.77 C 11.65 -8.09 C 16.38 -8.09 C 10.43 -8.77 C 12.83 -8.77 C 12.83 -10.15 C 8.07 -8.77 C 15.19 -8.77 C 15.19 -10.15 1 23 1 2 23 1 3 24 1 4 24 1 5 35 1 6 35 1 7 25 2 8 26 1 9 27 1 10 36 1 11 12 2 11 28 1 12 35 1 13 18 1 13 23 2 14 19 1 14 24 2 15 16 2 15 26 1 16 31 1 17 26 2 17 29 1 18 30 1 19 37 1 20 29 1 20 37 1 21 32 1 21 35 1 22 33 1 22 36 1 25 34 1 25 37 1 27 28 2 27 34 1 28 32 1 29 31 2 30 32 2 30 33 1 31 36 1 33 34 2 36 37 1', '37 41 C 11.64 -3.89 C 14.07 -3.89 C:26 17.49 -14.46 C:18 15.06 -14.35 C 6.76 -9.20 C 8.07 -7.40 O 14.00 -12.24 O 19.93 -6.03 O 11.66 -12.21 O 15.19 -7.36 C 9.24 -10.83 C 8.06 -10.15 C 12.86 -5.99 C:119 16.32 -12.31 C:110 17.56 -6.03 C:126 16.38 -6.71 C:100 18.74 -8.09 C 11.65 -6.69 C:32 15.19 -11.55 O 17.24 -10.28 O 9.25 -8.09 O 14.00 -8.09 C 12.86 -4.59 C:137 16.31 -13.71 C:190 14.00 -10.83 C:161 18.74 -6.71 C:198 11.65 -10.83 C:103 10.43 -10.15 C:160 17.56 -8.77 C:109 11.65 -8.09 C:121 16.38 -8.09 C:161 10.43 -8.77 C:162 12.83 -8.77 C:101 12.83 -10.15 C 8.07 -8.77 C:103 15.19 -8.77 C:92 15.19 -10.15 1 23 1 2 23 1 3 24 1 4 24 1 5 35 1 6 35 1 7 25 2 8 26 1 9 27 1 10 36 1 11 12 2 11 28 1 12 35 1 13 18 1 13 23 2 14 19 1 14 24 2 15 16 2 15 26 1 16 31 1 17 26 2 17 29 1 18 30 1 19 37 1 20 29 1 20 37 1 21 32 1 21 35 1 22 33 1 22 36 1 25 34 1 25 37 1 27 28 2 27 34 1 28 32 1 29 31 2 30 32 2 30 33 1 31 36 1 33 34 2 36 37 1', 'C30H32O7', 504.317, 'A', 'Fv-3.122', 2491, '', '', '3', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(4194, 'Saggenon M', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH3:3005][C:3003]([CH3:3004])=[CH:3002][CH2:3001][C:3]25O[c:106]1[cH:105][c:104](O)[cH:103][cH:102][c:101]1[C:2]2(O)O[c:9]4[c:8]3[CH:8001]=[CH:8002][C:8003]([CH3:8004])([CH3:8005])O[c:7]3[cH:6][c:5](O)[c:10]4[C:4]5=O', 'CC(C)=CCC25Oc1cc(O)ccc1C2(O)Oc4c3C=CC(C)(C)Oc3cc(O)c4C5=O', '[CH3:26][C:137]([CH3:18])=[CH:119][CH2:32][C:93]25O[c:161]1[cH:100][c:162](O)[cH:110][cH:126][c:121]1[C:102]2(O)O[c:164]4[c:103]3[CH:116]=[CH:127][C:79]([CH3:29])([CH3:28])O[c:166]3[cH:98][c:158](O)[c:101]4[C:189]5=O', '32 36 C:3004 14.48 -13.75 C:3005 16.92 -13.80 C:8005 8.60 -4.62 C:8004 7.32 -6.58 O 13.36 -11.60 O 19.31 -5.38 O 11.00 -11.55 O 14.55 -6.73 C:8001 11.00 -6.05 C:8002 9.82 -5.33 C:3002 15.72 -11.65 C:103 16.92 -5.40 C:102 15.74 -6.08 C:105 18.11 -7.45 C:6 9.79 -9.51 C:3001 14.55 -10.91 O 8.58 -7.42 O 16.44 -9.51 O 13.36 -7.45 C:3003 15.72 -13.07 C:4 13.36 -10.18 C:104 18.11 -6.08 C:5 11.00 -10.18 C:8 11.00 -7.45 C:7 9.79 -8.14 C:106 16.92 -8.14 C:101 15.74 -7.45 C:9 12.17 -8.14 C:10 12.17 -9.51 C:8003 8.60 -6.02 C:2 14.55 -8.14 C:3 14.55 -9.51 1 20 1 2 20 1 3 30 1 4 30 1 5 21 2 6 22 1 7 23 1 8 31 1 9 10 2 9 24 1 10 30 1 11 16 1 11 20 2 12 13 2 12 22 1 13 27 1 14 22 2 14 26 1 15 23 2 15 25 1 16 32 1 17 25 1 17 30 1 18 26 1 18 32 1 19 28 1 19 31 1 21 29 1 21 32 1 23 29 1 24 25 2 24 28 1 26 27 2 27 31 1 28 29 2 31 32 1', '32 36 C 14.48 -13.75 C 16.92 -13.80 C 8.60 -4.62 C 7.32 -6.58 O 13.36 -11.60 O 19.31 -5.38 O 11.00 -11.55 O 14.55 -6.73 C 11.00 -6.05 C 9.82 -5.33 C 15.72 -11.65 C 16.92 -5.40 C 15.74 -6.08 C 18.11 -7.45 C 9.79 -9.51 C 14.55 -10.91 O 8.58 -7.42 O 16.44 -9.51 O 13.36 -7.45 C 15.72 -13.07 C 13.36 -10.18 C 18.11 -6.08 C 11.00 -10.18 C 11.00 -7.45 C 9.79 -8.14 C 16.92 -8.14 C 15.74 -7.45 C 12.17 -8.14 C 12.17 -9.51 C 8.60 -6.02 C 14.55 -8.14 C 14.55 -9.51 1 20 1 2 20 1 3 30 1 4 30 1 5 21 2 6 22 1 7 23 1 8 31 1 9 10 2 9 24 1 10 30 1 11 16 1 11 20 2 12 13 2 12 22 1 13 27 1 14 22 2 14 26 1 15 23 2 15 25 1 16 32 1 17 25 1 17 30 1 18 26 1 18 32 1 19 28 1 19 31 1 21 29 1 21 32 1 23 29 1 24 25 2 24 28 1 26 27 2 27 31 1 28 29 2 31 32 1', '32 36 C:18 14.48 -13.75 C:26 16.92 -13.80 C:28 8.60 -4.62 C:29 7.32 -6.58 O 13.36 -11.60 O 19.31 -5.38 O 11.00 -11.55 O 14.55 -6.73 C:116 11.00 -6.05 C:127 9.82 -5.33 C:119 15.72 -11.65 C:110 16.92 -5.40 C:126 15.74 -6.08 C:100 18.11 -7.45 C:98 9.79 -9.51 C:32 14.55 -10.91 O 8.58 -7.42 O 16.44 -9.51 O 13.36 -7.45 C:137 15.72 -13.07 C:189 13.36 -10.18 C:162 18.11 -6.08 C:158 11.00 -10.18 C:103 11.00 -7.45 C:166 9.79 -8.14 C:161 16.92 -8.14 C:121 15.74 -7.45 C:164 12.17 -8.14 C:101 12.17 -9.51 C:79 8.60 -6.02 C:102 14.55 -8.14 C:93 14.55 -9.51 1 20 1 2 20 1 3 30 1 4 30 1 5 21 2 6 22 1 7 23 1 8 31 1 9 10 2 9 24 1 10 30 1 11 16 1 11 20 2 12 13 2 12 22 1 13 27 1 14 22 2 14 26 1 15 23 2 15 25 1 16 32 1 17 25 1 17 30 1 18 26 1 18 32 1 19 28 1 19 31 1 21 29 1 21 32 1 23 29 1 24 25 2 24 28 1 26 27 2 27 31 1 28 29 2 31 32 1', 'C25H24O7', 436.263, 'A', 'Fv-3.123', 2491, '', '', '3', 1, NULL, NULL),
(4195, '', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH3:104001]O[c:104]1[cH:103][cH:102][c:101]4[c:106]([cH:105]1)O[C:3]5([CH2:3001][CH:3002]=[C:3003]([CH3:3005])[CH3:3004])[C:4](=O)[c:10]3[c:9]([cH:8][c:7]2O[C:6003]([CH3:6004])([CH3:6005])[CH:6002]=[CH:6001][c:6]2[c:5]3O[CH3:5001])O[C:2]45O[CH3:2001]', 'COc1ccc4c(c1)OC5(CC=C(C)C)C(=O)c3c(cc2OC(C)(C)C=Cc2c3OC)OC45OC', '[CH3:56]O[c:161]1[cH:108][cH:125][c:122]4[c:157]([cH:101]1)O[C:91]5([CH2:9999][CH:9999]=[C:9999]([CH3:9999])[CH3:9999])[C:184](=O)[c:110]3[c:162]([cH:98][c:162]2O[C:9999]([CH3:9999])([CH3:9999])[CH:9999]=[CH:9999][c:109]2[c:161]3O[CH3:54])O[C:104]45O[CH3:62]', '35 39 C:3004 14.44 -13.34 C:3005 16.87 -13.45 C:6005 7.45 -6.39 C:6004 6.14 -8.19 O 13.38 -11.23 O 19.31 -5.02 O 11.04 -11.20 O 14.57 -6.35 C:6001 8.62 -9.82 C:6002 7.44 -9.14 C:3002 15.70 -11.30 C:103 16.94 -5.02 C:102 15.76 -5.70 C:105 18.12 -7.08 C:3001 14.57 -10.54 O 16.62 -9.27 O 8.63 -7.08 O 13.38 -7.08 C:3003 15.69 -12.70 C:4 13.38 -9.82 C:104 18.12 -5.70 C:5 11.03 -9.82 C:6 9.81 -9.14 C:106 16.94 -7.76 C:8 11.03 -7.08 C:101 15.76 -7.08 C:7 9.81 -7.76 C:9 12.21 -7.76 C:10 12.21 -9.14 C:6003 7.45 -7.76 C:2 14.57 -7.76 C:3 14.57 -9.14 C:2001 14.56 -4.95 C:5001 9.83 -11.91 C:104001 20.52 -5.73 1 19 1 2 19 1 3 30 1 4 30 1 5 20 2 6 21 1 7 22 1 8 31 1 9 10 2 9 23 1 10 30 1 11 15 1 11 19 2 12 13 2 12 21 1 13 26 1 14 21 2 14 24 1 15 32 1 16 24 1 16 32 1 17 27 1 17 30 1 18 28 1 18 31 1 20 29 1 20 32 1 22 23 2 22 29 1 23 27 1 24 26 2 25 27 2 25 28 1 26 31 1 28 29 2 31 32 1 8 33 1 7 34 1 6 35 1', '35 39 C 14.44 -13.34 C 16.87 -13.45 C 7.45 -6.39 C 6.14 -8.19 O 13.38 -11.23 O 19.31 -5.02 O 11.04 -11.20 O 14.57 -6.35 C 8.62 -9.82 C 7.44 -9.14 C 15.70 -11.30 C 16.94 -5.02 C 15.76 -5.70 C 18.12 -7.08 C 14.57 -10.54 O 16.62 -9.27 O 8.63 -7.08 O 13.38 -7.08 C 15.69 -12.70 C 13.38 -9.82 C 18.12 -5.70 C 11.03 -9.82 C 9.81 -9.14 C 16.94 -7.76 C 11.03 -7.08 C 15.76 -7.08 C 9.81 -7.76 C 12.21 -7.76 C 12.21 -9.14 C 7.45 -7.76 C 14.57 -7.76 C 14.57 -9.14 C 14.56 -4.95 C 9.83 -11.91 C 20.52 -5.73 1 19 1 2 19 1 3 30 1 4 30 1 5 20 2 6 21 1 7 22 1 8 31 1 9 10 2 9 23 1 10 30 1 11 15 1 11 19 2 12 13 2 12 21 1 13 26 1 14 21 2 14 24 1 15 32 1 16 24 1 16 32 1 17 27 1 17 30 1 18 28 1 18 31 1 20 29 1 20 32 1 22 23 2 22 29 1 23 27 1 24 26 2 25 27 2 25 28 1 26 31 1 28 29 2 31 32 1 8 33 1 7 34 1 6 35 1', '35 39 C 14.44 -13.34 C 16.87 -13.45 C 7.45 -6.39 C 6.14 -8.19 O 13.38 -11.23 O 19.31 -5.02 O 11.04 -11.20 O 14.57 -6.35 C 8.62 -9.82 C 7.44 -9.14 C 15.70 -11.30 C:108 16.94 -5.02 C:125 15.76 -5.70 C:101 18.12 -7.08 C 14.57 -10.54 O 16.62 -9.27 O 8.63 -7.08 O 13.38 -7.08 C 15.69 -12.70 C:184 13.38 -9.82 C:161 18.12 -5.70 C:161 11.03 -9.82 C:109 9.81 -9.14 C:157 16.94 -7.76 C:98 11.03 -7.08 C:122 15.76 -7.08 C:162 9.81 -7.76 C:162 12.21 -7.76 C:110 12.21 -9.14 C 7.45 -7.76 C:104 14.57 -7.76 C:91 14.57 -9.14 C:62 14.56 -4.95 C:54 9.83 -11.91 C:56 20.52 -5.73 1 19 1 2 19 1 3 30 1 4 30 1 5 20 2 6 21 1 7 22 1 8 31 1 9 10 2 9 23 1 10 30 1 11 15 1 11 19 2 12 13 2 12 21 1 13 26 1 14 21 2 14 24 1 15 32 1 16 24 1 16 32 1 17 27 1 17 30 1 18 28 1 18 31 1 20 29 1 20 32 1 22 23 2 22 29 1 23 27 1 24 26 2 25 27 2 25 28 1 26 31 1 28 29 2 31 32 1 8 33 1 7 34 1 6 35 1', 'C28H30O7', 478.295, 'C', 'Fv-3.124', 2491, '', '', '3', 1, NULL, NULL),
(4196, 'Saggenon N', '', 'Flavonoids', 'Flavonoids', 'Flavanones', '[CH3:103009][C:103008]([CH3:103010])=[CH:103007][CH2:103006][CH2:103005][C:103003]4([CH3:103004])[CH:103002]=[CH:103001][c:103]3[c:102](O)[c:101]([C@@H:2]2[CH2:3][C:4](=O)[c:10]1[c:5](O)[cH:6][c:7](O)[cH:8][c:9]1O2)[cH:106][cH:105][c:104]3O4', 'CC(C)=CCCC4(C)C=Cc3c(O)c([C@@H]2CC(=O)c1c(O)cc(O)cc1O2)ccc3O4', '[CH3:18][C:132]([CH3:26])=[CH:125][CH2:23][CH2:42][C:79]4([CH3:26])[CH:128]=[CH:118][c:111]3[c:155](O)[c:119]([C@@H:76]2[CH2:42][C:197](=O)[c:103]1[c:165](O)[cH:97][c:167](O)[cH:96][c:165]1O2)[cH:129][cH:109][c:151]3O4', '31 34 O 9.65 -13.73 C:103 13.25 -7.46 C:102 12.05 -8.15 C:105 14.45 -9.54 C:8 7.26 -9.54 O 15.71 -7.44 O 7.27 -13.70 O 4.84 -9.54 O 9.65 -9.54 C:4 9.65 -12.31 C:104 14.45 -8.15 C:7 6.03 -10.23 C:106 13.25 -10.23 C:9 8.46 -10.23 C:6 6.03 -11.62 C:101 12.05 -9.54 C:5 7.26 -12.31 C:10 8.46 -11.62 C:3 10.84 -11.62 C:2 10.84 -10.23 O 10.82 -7.43 C:103001 13.25 -6.04 C:103002 14.48 -5.33 C:103003 15.71 -6.04 C:103004 15.67 -4.62 C:103005 16.93 -6.75 C:103006 18.16 -6.04 C:103007 19.37 -6.75 C:103008 20.60 -6.04 C:103010 21.83 -6.75 C:103009 20.60 -4.62 1 10 2 2 3 2 2 11 1 3 16 1 4 11 2 4 13 1 5 12 2 5 14 1 6 11 1 7 17 1 8 12 1 9 14 1 9 20 1 10 18 1 10 19 1 12 15 1 13 16 2 14 18 2 15 17 2 20 16 -2 17 18 1 19 20 1 3 21 1 2 22 1 22 23 2 23 24 1 24 6 1 24 25 1 24 26 1 26 27 1 27 28 1 28 29 2 29 30 1 29 31 1', '31 34 O 9.65 -13.73 C 13.25 -7.46 C 12.05 -8.15 C 14.45 -9.54 C 7.26 -9.54 O 15.71 -7.44 O 7.27 -13.70 O 4.84 -9.54 O 9.65 -9.54 C 9.65 -12.31 C 14.45 -8.15 C 6.03 -10.23 C 13.25 -10.23 C 8.46 -10.23 C 6.03 -11.62 C 12.05 -9.54 C 7.26 -12.31 C 8.46 -11.62 C 10.84 -11.62 C 10.84 -10.23 O 10.82 -7.43 C 13.25 -6.04 C 14.48 -5.33 C 15.71 -6.04 C 15.67 -4.62 C 16.93 -6.75 C 18.16 -6.04 C 19.37 -6.75 C 20.60 -6.04 C 21.83 -6.75 C 20.60 -4.62 1 10 2 2 3 2 2 11 1 3 16 1 4 11 2 4 13 1 5 12 2 5 14 1 6 11 1 7 17 1 8 12 1 9 14 1 9 20 1 10 18 1 10 19 1 12 15 1 13 16 2 14 18 2 15 17 2 20 16 -2 17 18 1 19 20 1 3 21 1 2 22 1 22 23 2 23 24 1 24 6 1 24 25 1 24 26 1 26 27 1 27 28 1 28 29 2 29 30 1 29 31 1', '31 34 O 9.65 -13.73 C:111 13.25 -7.46 C:155 12.05 -8.15 C:109 14.45 -9.54 C:96 7.26 -9.54 O 15.71 -7.44 O 7.27 -13.70 O 4.84 -9.54 O 9.65 -9.54 C:197 9.65 -12.31 C:151 14.45 -8.15 C:167 6.03 -10.23 C:129 13.25 -10.23 C:165 8.46 -10.23 C:97 6.03 -11.62 C:119 12.05 -9.54 C:165 7.26 -12.31 C:103 8.46 -11.62 C:42 10.84 -11.62 C:76 10.84 -10.23 O 10.82 -7.43 C:118 13.25 -6.04 C:128 14.48 -5.33 C:79 15.71 -6.04 C:26 15.67 -4.62 C:42 16.93 -6.75 C:23 18.16 -6.04 C:125 19.37 -6.75 C:132 20.60 -6.04 C:26 21.83 -6.75 C:18 20.60 -4.62 1 10 2 2 3 2 2 11 1 3 16 1 4 11 2 4 13 1 5 12 2 5 14 1 6 11 1 7 17 1 8 12 1 9 14 1 9 20 1 10 18 1 10 19 1 12 15 1 13 16 2 14 18 2 15 17 2 20 16 -2 17 18 1 19 20 1 3 21 1 2 22 1 22 23 2 23 24 1 24 6 1 24 25 1 24 26 1 26 27 1 27 28 1 28 29 2 29 30 1 29 31 1', 'C25H26O6', 422.264, 'A', 'Fv-3.125', 2491, '', '', '3', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(4217, 'padmatin', '', 'Flavonoids', 'Flavonoids', 'Flavanonols', '[CH3:7001]O[c:7]3[cH:6][c:5](O)[c:10]2[C:4](=O)[C@H:3](O)[C@@H:2]([c:101]1[cH:106][cH:105][c:104](O)[c:103](O)[cH:102]1)O[c:9]2[cH:8]3', 'COc3cc(O)c2C(=O)[C@H](O)[C@@H](c1ccc(O)c(O)c1)Oc2c3', '[CH3:9999]O[c:169]3[cH:95][c:164](O)[c:102]2[C:196](=O)[C@H:73](O)[C@@H:84]([c:129]1[cH:120][cH:116][c:147](O)[c:146](O)[cH:116]1)O[c:163]2[cH:94]3', '23 25 C:3 17.34 -10.22 C:2 17.34 -8.82 O 16.13 -8.12 C:9 14.92 -8.82 C:10 14.92 -10.22 C:4 16.13 -10.92 C:8 13.71 -8.12 C:7 12.49 -8.82 C:6 12.49 -10.22 C:5 13.71 -10.92 C:101 18.56 -8.12 C:106 19.77 -8.82 C:105 20.98 -8.12 C:104 20.98 -6.72 C:103 19.77 -6.02 C:102 18.56 -6.72 O 16.13 -12.32 O 11.28 -8.12 C:7001 11.27 -6.72 O 13.72 -12.32 O 18.55 -10.92 O 19.77 -4.62 O 22.19 -6.02 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 -2 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 18 19 1 10 20 1 1 21 -1 15 22 1 14 23 1', '23 25 C 17.34 -10.22 C 17.34 -8.82 O 16.13 -8.12 C 14.92 -8.82 C 14.92 -10.22 C 16.13 -10.92 C 13.71 -8.12 C 12.49 -8.82 C 12.49 -10.22 C 13.71 -10.92 C 18.56 -8.12 C 19.77 -8.82 C 20.98 -8.12 C 20.98 -6.72 C 19.77 -6.02 C 18.56 -6.72 O 16.13 -12.32 O 11.28 -8.12 C 11.27 -6.72 O 13.72 -12.32 O 18.55 -10.92 O 19.77 -4.62 O 22.19 -6.02 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 -2 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 18 19 1 10 20 1 1 21 -1 15 22 1 14 23 1', '23 25 C:73 17.34 -10.22 C:84 17.34 -8.82 O 16.13 -8.12 C:163 14.92 -8.82 C:102 14.92 -10.22 C:196 16.13 -10.92 C:94 13.71 -8.12 C:169 12.49 -8.82 C:95 12.49 -10.22 C:164 13.71 -10.92 C:129 18.56 -8.12 C:120 19.77 -8.82 C:116 20.98 -8.12 C:147 20.98 -6.72 C:146 19.77 -6.02 C:116 18.56 -6.72 O 16.13 -12.32 O 11.28 -8.12 C 11.27 -6.72 O 13.72 -12.32 O 18.55 -10.92 O 19.77 -4.62 O 22.19 -6.02 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 -2 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 18 19 1 10 20 1 1 21 -1 15 22 1 14 23 1', 'C16H14O7', 318.167, 'A', 'Fv-3.146', 799, '', '', '3', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(4233, 'dihydromyricitin (ampelopsin)', '', 'Flavonoids', 'Flavonoids', 'Flavanonols', 'O=[C:4]3[c:10]1[c:5](O)[cH:6][c:7](O)[cH:8][c:9]1O[C@H:2]([c:101]2[cH:102][c:103](O)[c:104](O)[c:105](O)[cH:106]2)[C@H:3]3O', 'O=C3c1c(O)cc(O)cc1O[C@H](c2cc(O)c(O)c(O)c2)[C@H]3O', 'O=[C:198]3[c:100]1[c:162](O)[cH:95][c:167](O)[cH:96][c:163]1O[C@H:83]([c:127]2[cH:107][c:146](O)[c:133](O)[c:146](O)[cH:107]2)[C@H:72]3O', '23 25 C:3 13.93 -10.95 C:2 13.93 -9.55 O 12.72 -8.85 C:9 11.51 -9.55 C:10 11.51 -10.95 C:4 12.72 -11.65 C:8 10.30 -8.85 C:7 9.08 -9.55 C:6 9.08 -10.95 C:5 10.30 -11.65 C:101 15.15 -8.85 C:106 16.36 -9.55 C:105 17.57 -8.85 C:104 17.57 -7.45 C:103 16.36 -6.75 C:102 15.15 -7.45 O 12.72 -13.05 O 7.87 -8.85 O 10.31 -13.05 O 15.14 -11.65 O 16.36 -5.35 O 18.79 -6.75 O 18.79 -9.55 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 -2 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 10 19 1 1 20 -1 15 21 1 14 22 1 13 23 1', '23 25 C 13.93 -10.95 C 13.93 -9.55 O 12.72 -8.85 C 11.51 -9.55 C 11.51 -10.95 C 12.72 -11.65 C 10.30 -8.85 C 9.08 -9.55 C 9.08 -10.95 C 10.30 -11.65 C 15.15 -8.85 C 16.36 -9.55 C 17.57 -8.85 C 17.57 -7.45 C 16.36 -6.75 C 15.15 -7.45 O 12.72 -13.05 O 7.87 -8.85 O 10.31 -13.05 O 15.14 -11.65 O 16.36 -5.35 O 18.79 -6.75 O 18.79 -9.55 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 -2 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 10 19 1 1 20 -1 15 21 1 14 22 1 13 23 1', '23 25 C:72 13.93 -10.95 C:83 13.93 -9.55 O 12.72 -8.85 C:163 11.51 -9.55 C:100 11.51 -10.95 C:198 12.72 -11.65 C:96 10.30 -8.85 C:167 9.08 -9.55 C:95 9.08 -10.95 C:162 10.30 -11.65 C:127 15.15 -8.85 C:107 16.36 -9.55 C:146 17.57 -8.85 C:133 17.57 -7.45 C:146 16.36 -6.75 C:107 15.15 -7.45 O 12.72 -13.05 O 7.87 -8.85 O 10.31 -13.05 O 15.14 -11.65 O 16.36 -5.35 O 18.79 -6.75 O 18.79 -9.55 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 1 1 7 8 1 8 9 2 9 10 1 5 10 2 4 7 2 2 11 -2 12 13 1 13 14 2 14 15 1 15 16 2 11 16 1 11 12 2 6 17 2 8 18 1 10 19 1 1 20 -1 15 21 1 14 22 1 13 23 1', 'C15H12O8', 320.156, 'D', 'Fv-3.162', 990, '', '', '3', 1, NULL, NULL),
(4234, '', '', 'Flavonoids', 'Flavonoids', 'Flavanonols', '[CH3:6002]O[c:7]3[cH:6][c:5](O[CH3:5001])[c:10]2[C:4](=O)[C@H:3](O)[C@@H:2]([c:101]1[cH:102][c:103](O[CH3:103001])[c:104](O[CH3:104001])[c:105](O[CH3:105001])[cH:106]1)O[c:9]2[cH:8]3', 'COc3cc(OC)c2C(=O)[C@H](O)[C@@H](c1cc(OC)c(OC)c(OC)c1)Oc2c3', '[CH3:9999]O[c:165]3[cH:93][c:163](O[CH3:9999])[c:103]2[C:189](=O)[C@H:72](O)[C@@H:82]([c:133]1[cH:105][c:152](O[CH3:9999])[c:138](O[CH3:9999])[c:152](O[CH3:9999])[cH:105]1)O[c:161]2[cH:92]3', '28 30 C:6002 10.04 -7.45 C:105001 20.95 -10.95 C:103001 19.74 -4.65 C:104001 22.17 -7.45 C:5001 11.27 -13.76 O 14.89 -13.05 O 17.31 -11.65 C:106 18.53 -9.55 C:102 17.32 -7.45 C:8 12.47 -8.85 O 10.04 -8.85 O 20.95 -9.55 O 18.53 -5.35 O 20.95 -6.75 O 12.48 -13.05 O 14.89 -8.85 C:4 14.89 -11.65 C:101 17.32 -8.85 C:7 11.25 -9.55 C:105 19.74 -8.85 C:103 18.53 -6.75 C:9 13.68 -9.55 C:6 11.25 -10.95 C:104 19.74 -7.45 C:5 12.47 -11.65 C:10 13.68 -10.95 C:3 16.10 -10.95 C:2 16.10 -9.55 1 11 1 2 12 1 3 13 1 4 14 1 5 15 1 6 17 2 27 7 -1 8 18 2 8 20 1 9 18 1 9 21 2 10 19 1 10 22 2 11 19 1 12 20 1 13 21 1 14 24 1 15 25 1 16 22 1 16 28 1 17 26 1 17 27 1 28 18 -2 19 23 2 20 24 2 21 24 1 22 26 1 23 25 1 25 26 2 27 28 1', '28 30 C 10.04 -7.45 C 20.95 -10.95 C 19.74 -4.65 C 22.17 -7.45 C 11.27 -13.76 O 14.89 -13.05 O 17.31 -11.65 C 18.53 -9.55 C 17.32 -7.45 C 12.47 -8.85 O 10.04 -8.85 O 20.95 -9.55 O 18.53 -5.35 O 20.95 -6.75 O 12.48 -13.05 O 14.89 -8.85 C 14.89 -11.65 C 17.32 -8.85 C 11.25 -9.55 C 19.74 -8.85 C 18.53 -6.75 C 13.68 -9.55 C 11.25 -10.95 C 19.74 -7.45 C 12.47 -11.65 C 13.68 -10.95 C 16.10 -10.95 C 16.10 -9.55 1 11 1 2 12 1 3 13 1 4 14 1 5 15 1 6 17 2 27 7 -1 8 18 2 8 20 1 9 18 1 9 21 2 10 19 1 10 22 2 11 19 1 12 20 1 13 21 1 14 24 1 15 25 1 16 22 1 16 28 1 17 26 1 17 27 1 28 18 -2 19 23 2 20 24 2 21 24 1 22 26 1 23 25 1 25 26 2 27 28 1', '28 30 C 10.04 -7.45 C 20.95 -10.95 C 19.74 -4.65 C 22.17 -7.45 C 11.27 -13.76 O 14.89 -13.05 O 17.31 -11.65 C:105 18.53 -9.55 C:105 17.32 -7.45 C:92 12.47 -8.85 O 10.04 -8.85 O 20.95 -9.55 O 18.53 -5.35 O 20.95 -6.75 O 12.48 -13.05 O 14.89 -8.85 C:189 14.89 -11.65 C:133 17.32 -8.85 C:165 11.25 -9.55 C:152 19.74 -8.85 C:152 18.53 -6.75 C:161 13.68 -9.55 C:93 11.25 -10.95 C:138 19.74 -7.45 C:163 12.47 -11.65 C:103 13.68 -10.95 C:72 16.10 -10.95 C:82 16.10 -9.55 1 11 1 2 12 1 3 13 1 4 14 1 5 15 1 6 17 2 27 7 -1 8 18 2 8 20 1 9 18 1 9 21 2 10 19 1 10 22 2 11 19 1 12 20 1 13 21 1 14 24 1 15 25 1 16 22 1 16 28 1 17 26 1 17 27 1 28 18 -2 19 23 2 20 24 2 21 24 1 22 26 1 23 25 1 25 26 2 27 28 1', 'C20H22O8', 390.209, 'C+D', 'Fv-3.163', 1390, '', '', '3', 1, NULL, NULL),
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(4253, '', '', 'Flavonoids', 'Flavonoids', 'Flavones', 'O=[c:4]2[cH:3][c:2]([c:101]1[cH:106][cH:105][cH:104][cH:103][c:102]1O)o[c:9]3[cH:8][cH:7][cH:6][cH:5][c:10]23', 'O=c2cc(c1ccccc1O)oc3ccccc23', 'O=[c:177]2[cH:111][c:161]([c:118]1[cH:129][cH:120][cH:133][cH:117][c:157]1O)o[c:156]3[cH:119][cH:134][cH:125][cH:125][c:123]23', '18 20 O 15.50 -12.31 C:104 20.36 -6.71 C:103 19.15 -6.01 C:105 20.36 -8.11 C:6 11.87 -10.21 C:102 17.93 -6.71 C:106 19.15 -8.81 C:7 11.87 -8.81 C:5 13.09 -10.91 C:3 16.71 -10.21 O 15.50 -8.11 C:101 17.93 -8.11 C:8 13.09 -8.11 C:2 16.71 -8.81 C:4 15.50 -10.91 C:10 14.30 -10.21 C:9 14.30 -8.81 O 16.72 -6.02 1 15 2 2 3 1 2 4 2 3 6 2 4 7 1 5 8 2 5 9 1 6 12 1 7 12 2 8 13 1 9 16 2 10 14 2 10 15 1 11 14 1 11 17 1 12 14 1 13 17 2 15 16 1 16 17 1 6 18 1', '18 20 O 15.50 -12.31 C 20.36 -6.71 C 19.15 -6.01 C 20.36 -8.11 C 11.87 -10.21 C 17.93 -6.71 C 19.15 -8.81 C 11.87 -8.81 C 13.09 -10.91 C 16.71 -10.21 O 15.50 -8.11 C 17.93 -8.11 C 13.09 -8.11 C 16.71 -8.81 C 15.50 -10.91 C 14.30 -10.21 C 14.30 -8.81 O 16.72 -6.02 1 15 2 2 3 1 2 4 2 3 6 2 4 7 1 5 8 2 5 9 1 6 12 1 7 12 2 8 13 1 9 16 2 10 14 2 10 15 1 11 14 1 11 17 1 12 14 1 13 17 2 15 16 1 16 17 1 6 18 1', '18 20 O 15.50 -12.31 C:133 20.36 -6.71 C:117 19.15 -6.01 C:120 20.36 -8.11 C:125 11.87 -10.21 C:157 17.93 -6.71 C:129 19.15 -8.81 C:134 11.87 -8.81 C:125 13.09 -10.91 C:111 16.71 -10.21 O 15.50 -8.11 C:118 17.93 -8.11 C:119 13.09 -8.11 C:161 16.71 -8.81 C:177 15.50 -10.91 C:123 14.30 -10.21 C:156 14.30 -8.81 O 16.72 -6.02 1 15 2 2 3 1 2 4 2 3 6 2 4 7 1 5 8 2 5 9 1 6 12 1 7 12 2 8 13 1 9 16 2 10 14 2 10 15 1 11 14 1 11 17 1 12 14 1 13 17 2 15 16 1 16 17 1 6 18 1', 'C15H10O3', 238.159, 'C', 'Fv-3.181', 279, '', '', '3', 1, NULL, NULL),
(4254, '', '', 'Flavonoids', 'Flavonoids', 'Flavones', '[CH3:102001]N[c:102]1[cH:103][cH:104][cH:105][cH:106][c:101]1[c:2]3[cH:3][c:4](=O)[c:10]2[cH:5][cH:6][cH:7][cH:8][c:9]2o3', 'CNc1ccccc1c3cc(=O)c2ccccc2o3', '[CH3:9999]N[c:158]1[cH:112][cH:132][cH:121][cH:129][c:121]1[c:161]3[cH:113][c:179](=O)[c:9999]2[cH:125][cH:125][cH:133][cH:118][c:156]2o3', '19 21 C:102001 16.14 -7.31 O 14.93 -14.99 C:104 19.80 -9.39 C:105 19.80 -10.79 C:7 11.30 -11.49 C:6 11.30 -12.89 C:103 18.59 -8.69 C:106 18.59 -11.49 C:8 12.52 -10.79 C:5 12.52 -13.59 C:3 16.14 -12.89 N 16.14 -8.70 O 14.93 -10.79 C:102 17.37 -9.39 C:2 16.14 -11.49 C:101 17.37 -10.79 C:4 14.93 -13.59 C:9 13.73 -11.49 C:10 13.73 -12.89 1 12 1 2 17 2 3 4 2 3 7 1 4 8 1 5 6 2 5 9 1 6 10 1 7 14 2 8 16 2 9 18 2 10 19 2 11 15 2 11 17 1 12 14 1 13 15 1 13 18 1 14 16 1 15 16 1 17 19 1 18 19 1', '19 21 C 16.14 -7.31 O 14.93 -14.99 C 19.80 -9.39 C 19.80 -10.79 C 11.30 -11.49 C 11.30 -12.89 C 18.59 -8.69 C 18.59 -11.49 C 12.52 -10.79 C 12.52 -13.59 C 16.14 -12.89 N 16.14 -8.70 O 14.93 -10.79 C 17.37 -9.39 C 16.14 -11.49 C 17.37 -10.79 C 14.93 -13.59 C 13.73 -11.49 C 13.73 -12.89 1 12 1 2 17 2 3 4 2 3 7 1 4 8 1 5 6 2 5 9 1 6 10 1 7 14 2 8 16 2 9 18 2 10 19 2 11 15 2 11 17 1 12 14 1 13 15 1 13 18 1 14 16 1 15 16 1 17 19 1 18 19 1', '19 21 C 16.14 -7.31 O 14.93 -14.99 C:132 19.80 -9.39 C:121 19.80 -10.79 C:133 11.30 -11.49 C:125 11.30 -12.89 C:112 18.59 -8.69 C:129 18.59 -11.49 C:118 12.52 -10.79 C:125 12.52 -13.59 C:113 16.14 -12.89 N 16.14 -8.70 O 14.93 -10.79 C:158 17.37 -9.39 C:161 16.14 -11.49 C:121 17.37 -10.79 C:179 14.93 -13.59 C:156 13.73 -11.49 C 13.73 -12.89 1 12 1 2 17 2 3 4 2 3 7 1 4 8 1 5 6 2 5 9 1 6 10 1 7 14 2 8 16 2 9 18 2 10 19 2 11 15 2 11 17 1 12 14 1 13 15 1 13 18 1 14 16 1 15 16 1 17 19 1 18 19 1', 'C16H13NO2', 251.177, 'C', 'Fv-3.182', 279, '', '', '3', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(4256, '', '', 'Flavonoids', 'Flavonoids', 'Flavones', 'O=[c:4]2[cH:3][c:2]([c:101]1[cH:102][cH:103][c:104](Br)[cH:105][cH:106]1)o[c:9]3[cH:8][cH:7][cH:6][cH:5][c:10]23', 'O=c2cc(c1ccc(Br)cc1)oc3ccccc23', 'O=[c:178]2[cH:108][c:162]([c:131]1[cH:128][cH:132][c:126](Br)[cH:132][cH:128]1)o[c:156]3[cH:118][cH:134][cH:125][cH:126][c:124]23', '18 20 O 15.56 -13.38 C:105 20.43 -9.18 C:7 11.93 -9.88 C:6 11.93 -11.28 C:104 20.43 -7.78 C:106 19.22 -9.88 C:8 13.15 -9.18 C:5 13.15 -11.98 C:102 18.00 -7.78 C:3 16.77 -11.28 O 15.56 -9.18 C:103 19.22 -7.08 C:101 18.00 -9.18 C:2 16.77 -9.88 C:4 15.56 -11.98 C:9 14.36 -9.88 C:10 14.36 -11.28 Br 21.64 -7.07 1 15 2 2 5 2 2 6 1 3 4 2 3 7 1 4 8 1 5 12 1 6 13 2 7 16 2 8 17 2 9 12 2 9 13 1 10 14 2 10 15 1 11 14 1 11 16 1 13 14 1 15 17 1 16 17 1 5 18 1', '18 20 O 15.56 -13.38 C 20.43 -9.18 C 11.93 -9.88 C 11.93 -11.28 C 20.43 -7.78 C 19.22 -9.88 C 13.15 -9.18 C 13.15 -11.98 C 18.00 -7.78 C 16.77 -11.28 O 15.56 -9.18 C 19.22 -7.08 C 18.00 -9.18 C 16.77 -9.88 C 15.56 -11.98 C 14.36 -9.88 C 14.36 -11.28 Br 21.64 -7.07 1 15 2 2 5 2 2 6 1 3 4 2 3 7 1 4 8 1 5 12 1 6 13 2 7 16 2 8 17 2 9 12 2 9 13 1 10 14 2 10 15 1 11 14 1 11 16 1 13 14 1 15 17 1 16 17 1 5 18 1', '18 20 O 15.56 -13.38 C:132 20.43 -9.18 C:134 11.93 -9.88 C:125 11.93 -11.28 C:126 20.43 -7.78 C:128 19.22 -9.88 C:118 13.15 -9.18 C:126 13.15 -11.98 C:128 18.00 -7.78 C:108 16.77 -11.28 O 15.56 -9.18 C:132 19.22 -7.08 C:131 18.00 -9.18 C:162 16.77 -9.88 C:178 15.56 -11.98 C:156 14.36 -9.88 C:124 14.36 -11.28 Br 21.64 -7.07 1 15 2 2 5 2 2 6 1 3 4 2 3 7 1 4 8 1 5 12 1 6 13 2 7 16 2 8 17 2 9 12 2 9 13 1 10 14 2 10 15 1 11 14 1 11 16 1 13 14 1 15 17 1 16 17 1 5 18 1', 'C15H9BrO2', 301.063, 'C', 'Fv-3.184', 605, '', '', '3', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(4324, '', '', 'Flavonoids', 'Flavonoids', 'Flavones', '[CH3:7001]O[c:7]3[cH:8][c:9]2o[c:2]([c:101]1[cH:106][cH:105][cH:104][cH:103][c:102]1O)[cH:3][c:4](=O)[c:10]2[c:5](O[CH3:5001])[c:6]3O[CH3:6001]', 'COc3cc2oc(c1ccccc1O)cc(=O)c2c(OC)c3OC', '[CH3:61]O[c:154]3[cH:97][c:157]2o[c:158]([c:117]1[cH:128][cH:119][cH:132][cH:117][c:156]1O)[cH:111][c:175](=O)[c:111]2[c:151](O[CH3:56])[c:139]3O[CH3:60]', '24 26 C:7001 9.10 -6.41 C:6001 7.89 -9.90 O 13.96 -11.99 O 15.17 -5.69 O 11.55 -12.00 C:104 18.80 -6.40 C:105 18.80 -7.81 C:103 17.58 -5.70 C:106 17.58 -8.51 C:3 15.16 -9.91 C:8 11.54 -7.81 O 9.10 -7.81 O 9.10 -10.61 O 13.96 -7.81 C:102 16.38 -6.40 C:7 10.32 -8.51 C:2 15.16 -8.51 C:5 11.54 -10.61 C:101 16.38 -7.81 C:6 10.32 -9.91 C:4 13.96 -10.61 C:9 12.76 -8.51 C:10 12.76 -9.91 C:5001 10.34 -12.71 1 12 1 2 13 1 3 21 2 4 15 1 5 18 1 6 7 2 6 8 1 7 9 1 8 15 2 9 19 2 10 17 2 10 21 1 11 16 1 11 22 2 12 16 1 13 20 1 14 17 1 14 22 1 15 19 1 16 20 2 17 19 1 18 20 1 18 23 2 21 23 1 22 23 1 5 24 1', '24 26 C 9.10 -6.41 C 7.89 -9.90 O 13.96 -11.99 O 15.17 -5.69 O 11.55 -12.00 C 18.80 -6.40 C 18.80 -7.81 C 17.58 -5.70 C 17.58 -8.51 C 15.16 -9.91 C 11.54 -7.81 O 9.10 -7.81 O 9.10 -10.61 O 13.96 -7.81 C 16.38 -6.40 C 10.32 -8.51 C 15.16 -8.51 C 11.54 -10.61 C 16.38 -7.81 C 10.32 -9.91 C 13.96 -10.61 C 12.76 -8.51 C 12.76 -9.91 C 10.34 -12.71 1 12 1 2 13 1 3 21 2 4 15 1 5 18 1 6 7 2 6 8 1 7 9 1 8 15 2 9 19 2 10 17 2 10 21 1 11 16 1 11 22 2 12 16 1 13 20 1 14 17 1 14 22 1 15 19 1 16 20 2 17 19 1 18 20 1 18 23 2 21 23 1 22 23 1 5 24 1', '24 26 C:61 9.10 -6.41 C:60 7.89 -9.90 O 13.96 -11.99 O 15.17 -5.69 O 11.55 -12.00 C:132 18.80 -6.40 C:119 18.80 -7.81 C:117 17.58 -5.70 C:128 17.58 -8.51 C:111 15.16 -9.91 C:97 11.54 -7.81 O 9.10 -7.81 O 9.10 -10.61 O 13.96 -7.81 C:156 16.38 -6.40 C:154 10.32 -8.51 C:158 15.16 -8.51 C:151 11.54 -10.61 C:117 16.38 -7.81 C:139 10.32 -9.91 C:175 13.96 -10.61 C:157 12.76 -8.51 C:111 12.76 -9.91 C:56 10.34 -12.71 1 12 1 2 13 1 3 21 2 4 15 1 5 18 1 6 7 2 6 8 1 7 9 1 8 15 2 9 19 2 10 17 2 10 21 1 11 16 1 11 22 2 12 16 1 13 20 1 14 17 1 14 22 1 15 19 1 16 20 2 17 19 1 18 20 1 18 23 2 21 23 1 22 23 1 5 24 1', 'C18H16O6', 328.189, 'D', 'Fv-3.253', 1383, '', '', '3', 1, NULL, NULL),
(4325, '', '', 'Flavonoids', 'Flavonoids', 'Flavones', '[CH3:6001]O[c:6]3[cH:7][c:8](O[CH3:8001])[c:9]2o[c:2]([c:101]1[cH:106][cH:105][cH:104][cH:103][c:102]1O)[cH:3][c:4](=O)[c:10]2[c:5]3O', 'COc3cc(OC)c2oc(c1ccccc1O)cc(=O)c2c3O', '[CH3:57]O[c:139]3[cH:117][c:142](O[CH3:57])[c:139]2o[c:162]([c:119]1[cH:128][cH:119][cH:132][cH:117][c:156]1O)[cH:108][c:183](=O)[c:108]2[c:141]3O', '23 25 C:6001 10.69 -9.10 C:8001 15.56 -4.92 O 16.75 -11.21 O 14.34 -11.21 C:104 21.60 -5.61 C:103 20.39 -4.91 C:105 21.60 -7.01 C:102 19.18 -5.61 C:106 20.39 -7.71 C:3 17.96 -9.11 O 11.90 -9.81 O 14.34 -5.61 O 16.75 -7.01 C:101 19.18 -7.01 C:7 13.11 -7.71 C:2 17.96 -7.71 C:5 14.33 -9.81 C:6 13.11 -9.11 C:8 14.33 -7.01 C:4 16.75 -9.81 C:9 15.54 -7.71 C:10 15.54 -9.11 O 17.97 -4.91 1 11 1 2 12 1 3 20 2 4 17 1 5 6 1 5 7 2 6 8 2 7 9 1 8 14 1 9 14 2 10 16 2 10 20 1 11 18 1 12 19 1 13 16 1 13 21 1 14 16 1 15 18 2 15 19 1 17 18 1 17 22 2 19 21 2 20 22 1 21 22 1 8 23 1', '23 25 C 10.69 -9.10 C 15.56 -4.92 O 16.75 -11.21 O 14.34 -11.21 C 21.60 -5.61 C 20.39 -4.91 C 21.60 -7.01 C 19.18 -5.61 C 20.39 -7.71 C 17.96 -9.11 O 11.90 -9.81 O 14.34 -5.61 O 16.75 -7.01 C 19.18 -7.01 C 13.11 -7.71 C 17.96 -7.71 C 14.33 -9.81 C 13.11 -9.11 C 14.33 -7.01 C 16.75 -9.81 C 15.54 -7.71 C 15.54 -9.11 O 17.97 -4.91 1 11 1 2 12 1 3 20 2 4 17 1 5 6 1 5 7 2 6 8 2 7 9 1 8 14 1 9 14 2 10 16 2 10 20 1 11 18 1 12 19 1 13 16 1 13 21 1 14 16 1 15 18 2 15 19 1 17 18 1 17 22 2 19 21 2 20 22 1 21 22 1 8 23 1', '23 25 C:57 10.69 -9.10 C:57 15.56 -4.92 O 16.75 -11.21 O 14.34 -11.21 C:132 21.60 -5.61 C:117 20.39 -4.91 C:119 21.60 -7.01 C:156 19.18 -5.61 C:128 20.39 -7.71 C:108 17.96 -9.11 O 11.90 -9.81 O 14.34 -5.61 O 16.75 -7.01 C:119 19.18 -7.01 C:117 13.11 -7.71 C:162 17.96 -7.71 C:141 14.33 -9.81 C:139 13.11 -9.11 C:142 14.33 -7.01 C:183 16.75 -9.81 C:139 15.54 -7.71 C:108 15.54 -9.11 O 17.97 -4.91 1 11 1 2 12 1 3 20 2 4 17 1 5 6 1 5 7 2 6 8 2 7 9 1 8 14 1 9 14 2 10 16 2 10 20 1 11 18 1 12 19 1 13 16 1 13 21 1 14 16 1 15 18 2 15 19 1 17 18 1 17 22 2 19 21 2 20 22 1 21 22 1 8 23 1', 'C17H14O6', 314.178, 'D', 'Fv-3.254', 1383, '', '', '3', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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