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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'[H][C@@:47]15[CH:160]=[C:137]([CH3:10])[C:209](=O)[C@@:72]1(O)[C@H:70](O)[C@@:59]2([CH2:66]O[C:173](=O)[CH2:34][CH2:33][CH2:32][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:23][CH3:14])O[C@H:64]2[CH:35]4[C@H:80]3O[C:117]6([CH:122]=[CH:135][CH:129]=[CH:139][CH2:33][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:9999][CH2:23][CH3:14])O[C@@:84]3([C:143](=[CH2:113])[CH3:19])[C@H:78](O[C:170]([CH3:21])=O)[C@@H:44]([CH3:18])[C@@:78]45O6', '64 69 H 15.36 -10.16 C:17 17.46 -7.12 C:114 19.84 -1.51 C:20016 4.26 -11.62 C:16 19.91 -7.09 C:12002 15.10 -5.77 C:19 11.58 -10.60 C:18 15.19 -8.53 O 17.53 -5.76 O 18.23 -17.45 O 12.51 -13.45 O 14.69 -14.66 O 14.20 -13.63 C:104 24.12 -8.73 C:103 22.78 -8.75 C:105 24.78 -7.56 C:102 22.10 -9.94 C:1 13.98 -10.23 C:113 20.54 -2.72 C:20015 4.77 -12.92 C:106 26.19 -7.55 C:112 21.94 -2.71 C:20014 6.15 -13.14 C:107 26.89 -6.32 C:111 22.65 -3.92 C:20013 6.66 -14.44 C:108 26.17 -5.10 C:110 24.05 -3.91 C:20012 8.04 -14.65 C:109 24.76 -5.12 C:20011 8.55 -15.96 C:20010 9.93 -16.17 C:20009 10.44 -17.47 C:20008 11.82 -17.69 C:20007 12.33 -18.99 C:20006 13.72 -19.20 C:20005 14.22 -20.51 C:20004 15.61 -20.72 C:20003 16.48 -19.63 C:20002 15.98 -18.32 C:20 17.22 -14.83 O 16.34 -15.92 O 16.32 -7.86 O 19.95 -11.02 O 18.08 -13.90 O 19.98 -8.84 O 17.49 -9.95 C:15 18.70 -7.82 C:12001 16.32 -6.46 C:2 12.88 -11.02 C:20001 16.85 -17.23 C:3 13.31 -12.30 C:11 16.34 -9.21 C:5 15.39 -13.45 C:12 17.54 -8.56 C:7 17.68 -12.57 C:14 18.69 -10.58 C:8 17.49 -11.23 C:10 15.06 -11.02 C:101 20.76 -9.95 C:4 14.64 -12.30 C:6 16.73 -13.57 C:13 18.71 -9.23 C:9 16.34 -10.55 59 1 -2 2 48 2 3 19 1 4 20 1 5 48 1 6 49 1 7 50 1 53 8 -2 9 49 2 10 51 2 11 52 2 54 12 -1 61 13 -1 14 15 1 14 16 2 15 17 2 16 21 1 17 60 1 18 50 2 18 59 1 19 22 1 20 23 1 21 24 1 22 25 1 23 26 1 24 27 1 25 28 1 26 29 1 27 30 1 28 30 1 29 31 1 31 32 1 32 33 1 33 34 1 34 35 1 35 36 1 36 37 1 37 38 1 38 39 1 39 40 1 40 51 1 41 42 1 62 41 -1 42 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17.54 -8.56 C 17.68 -12.57 C 18.69 -10.58 C 17.49 -11.23 C 15.06 -11.02 C 20.76 -9.95 C 14.64 -12.30 C 16.73 -13.57 C 18.71 -9.23 C 16.34 -10.55 59 1 -2 2 48 2 3 19 1 4 20 1 5 48 1 6 49 1 7 50 1 53 8 -2 9 49 2 10 51 2 11 52 2 54 12 -1 61 13 -1 14 15 1 14 16 2 15 17 2 16 21 1 17 60 1 18 50 2 18 59 1 19 22 1 20 23 1 21 24 1 22 25 1 23 26 1 24 27 1 25 28 1 26 29 1 27 30 1 28 30 1 29 31 1 31 32 1 32 33 1 33 34 1 34 35 1 35 36 1 36 37 1 37 38 1 38 39 1 39 40 1 40 51 1 41 42 1 62 41 -1 42 51 1 43 49 1 55 43 -1 57 44 -2 44 60 1 56 45 -2 62 45 -2 46 60 1 63 46 -2 47 60 1 64 47 -2 48 63 1 50 52 1 52 61 1 53 55 1 53 64 1 54 61 1 54 62 1 55 63 1 56 58 1 56 62 1 57 58 1 57 63 1 58 64 1 59 61 1 59 64 1', '64 69 H 15.36 -10.16 C:113 17.46 -7.12 C:14 19.84 -1.51 C:14 4.26 -11.62 C:19 19.91 -7.09 C:21 15.10 -5.77 C:10 11.58 -10.60 C:18 15.19 -8.53 O 17.53 -5.76 O 18.23 -17.45 O 12.51 -13.45 O 14.69 -14.66 O 14.20 -13.63 C:129 24.12 -8.73 C:135 22.78 -8.75 C:139 24.78 -7.56 C:122 22.10 -9.94 C:160 13.98 -10.23 C:23 20.54 -2.72 C:23 4.77 -12.92 C:33 26.19 -7.55 C 21.94 -2.71 C 6.15 -13.14 C 26.89 -6.32 C 22.65 -3.92 C 6.66 -14.44 C 26.17 -5.10 C 24.05 -3.91 C 8.04 -14.65 C 24.76 -5.12 C 8.55 -15.96 C 9.93 -16.17 C 10.44 -17.47 C 11.82 -17.69 C 12.33 -18.99 C 13.72 -19.20 C 14.22 -20.51 C:32 15.61 -20.72 C:33 16.48 -19.63 C:34 15.98 -18.32 C:66 17.22 -14.83 O 16.34 -15.92 O 16.32 -7.86 O 19.95 -11.02 O 18.08 -13.90 O 19.98 -8.84 O 17.49 -9.95 C:143 18.70 -7.82 C:170 16.32 -6.46 C:137 12.88 -11.02 C:173 16.85 -17.23 C:209 13.31 -12.30 C:44 16.34 -9.21 C:70 15.39 -13.45 C:78 17.54 -8.56 C:64 17.68 -12.57 C:80 18.69 -10.58 C:35 17.49 -11.23 C:47 15.06 -11.02 C:117 20.76 -9.95 C:72 14.64 -12.30 C:59 16.73 -13.57 C:84 18.71 -9.23 C:78 16.34 -10.55 59 1 -2 2 48 2 3 19 1 4 20 1 5 48 1 6 49 1 7 50 1 53 8 -2 9 49 2 10 51 2 11 52 2 54 12 -1 61 13 -1 14 15 1 14 16 2 15 17 2 16 21 1 17 60 1 18 50 2 18 59 1 19 22 1 20 23 1 21 24 1 22 25 1 23 26 1 24 27 1 25 28 1 26 29 1 27 30 1 28 30 1 29 31 1 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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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(751, 'Tagalsin D', '', 'Terpenoids', 'Diterpenoids', 'Dolabranes', '[H][C@@:8]34[CH2:7][CH2:6][C@@:5]1([CH3:19])[C@:10]([H])([CH2:1][CH2:2][C@H:3](O)[C@@:4]12[CH2:18]O2)[C@@:9]3([CH3:20])[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14]4', '[H][C@@]34CC[C@@]1(C)[C@]([H])(CC[C@H](O)[C@@]12CO2)[C@@]3(C)CC[C@](C)(C=C)C4', '[H][C@@:42]34[CH2:28][CH2:34][C@@:36]1([CH3:31])[C@:55]([H])([CH2:16][CH2:29][C@H:73](O)[C@@:62]12[CH2:57]O2)[C@@:37]3([CH3:17])[CH2:36][CH2:32][C@:36]([CH3:23])([CH:151]=[CH2:109])[CH2:39]4', '24 27 H 16.80 -9.96 H 14.32 -9.96 C:16 20.42 -8.23 C:17 18.87 -7.71 C:20 15.56 -11.72 C:19 14.32 -13.88 O 10.66 -13.19 C:15 19.42 -9.25 C:2 11.87 -11.04 C:1 13.06 -10.31 C:7 16.80 -12.47 C:12 16.80 -8.17 C:6 15.56 -13.19 C:11 15.56 -8.88 C:18 13.05 -14.60 C:14 18.04 -10.31 O 11.84 -13.89 C:3 11.87 -12.47 C:8 16.80 -11.04 C:13 18.04 -8.88 C:10 14.32 -11.04 C:9 15.56 -10.31 C:5 14.32 -12.47 C:4 13.06 -13.19 19 1 -1 21 2 -1 3 8 2 20 4 -1 22 5 -2 23 6 -1 18 7 -1 20 8 -2 9 10 1 9 18 1 10 21 1 11 13 1 11 19 1 12 14 1 12 20 1 13 23 1 14 22 1 15 17 1 24 15 -2 16 19 1 16 20 1 17 24 1 18 24 1 19 22 1 21 22 1 21 23 1 23 24 1', '24 27 H 16.80 -9.96 H 14.32 -9.96 C 20.42 -8.23 C 18.87 -7.71 C 15.56 -11.72 C 14.32 -13.88 O 10.66 -13.19 C 19.42 -9.25 C 11.87 -11.04 C 13.06 -10.31 C 16.80 -12.47 C 16.80 -8.17 C 15.56 -13.19 C 15.56 -8.88 C 13.05 -14.60 C 18.04 -10.31 O 11.84 -13.89 C 11.87 -12.47 C 16.80 -11.04 C 18.04 -8.88 C 14.32 -11.04 C 15.56 -10.31 C 14.32 -12.47 C 13.06 -13.19 19 1 -1 21 2 -1 3 8 2 20 4 -1 22 5 -2 23 6 -1 18 7 -1 20 8 -2 9 10 1 9 18 1 10 21 1 11 13 1 11 19 1 12 14 1 12 20 1 13 23 1 14 22 1 15 17 1 24 15 -2 16 19 1 16 20 1 17 24 1 18 24 1 19 22 1 21 22 1 21 23 1 23 24 1', '24 27 H 16.80 -9.96 H 14.32 -9.96 C:109 20.42 -8.23 C:23 18.87 -7.71 C:17 15.56 -11.72 C:31 14.32 -13.88 O 10.66 -13.19 C:151 19.42 -9.25 C:29 11.87 -11.04 C:16 13.06 -10.31 C:28 16.80 -12.47 C:32 16.80 -8.17 C:34 15.56 -13.19 C:36 15.56 -8.88 C:57 13.05 -14.60 C:39 18.04 -10.31 O 11.84 -13.89 C:73 11.87 -12.47 C:42 16.80 -11.04 C:36 18.04 -8.88 C:55 14.32 -11.04 C:37 15.56 -10.31 C:36 14.32 -12.47 C:62 13.06 -13.19 19 1 -1 21 2 -1 3 8 2 20 4 -1 22 5 -2 23 6 -1 18 7 -1 20 8 -2 9 10 1 9 18 1 10 21 1 11 13 1 11 19 1 12 14 1 12 20 1 13 23 1 14 22 1 15 17 1 24 15 -2 16 19 1 16 20 1 17 24 1 18 24 1 19 22 1 21 22 1 21 23 1 23 24 1', 'C20H32O2', 304.229, 'C', 'ph66_1465_4', 2569, '', '', '1', 1, NULL, NULL),
(752, 'Tagalsin E', '', 'Terpenoids', 'Diterpenoids', 'Dolabranes', '[H][C@@:8]23[CH2:7][CH2:6][C@:5]1([CH3:19])[C:4](=[CH2:18])[C:3](=O)[CH2:2][CH2:1][C@:10]1([H])[C@@:9]2([CH3:20])[CH2:11][CH2:12][C@:13]([CH3:17])([CH:15]=[CH2:16])[CH2:14]3', '[H][C@@]23CC[C@]1(C)C(=C)C(=O)CC[C@]1([H])[C@@]2(C)CC[C@](C)(C=C)C3', '[H][C@@:43]23[CH2:26][CH2:38][C@:41]1([CH3:34])[C:153](=[CH2:117])[C:204](=O)[CH2:37][CH2:18][C@:53]1([H])[C@@:38]2([CH3:14])[CH2:36][CH2:32][C@:37]([CH3:23])([CH:151]=[CH2:109])[CH2:39]3', '23 25 H 16.24 -9.96 H 13.75 -9.96 C:16 19.85 -8.23 C:18 12.48 -14.60 C:17 18.30 -7.71 C:19 13.75 -13.88 C:20 14.99 -11.72 O 10.10 -13.19 C:15 18.85 -9.25 C:2 11.30 -11.04 C:7 16.24 -12.47 C:1 12.49 -10.31 C:12 16.24 -8.17 C:6 14.99 -13.19 C:11 14.99 -8.88 C:14 17.47 -10.31 C:4 12.49 -13.19 C:3 11.30 -12.47 C:8 16.24 -11.04 C:13 17.47 -8.88 C:10 13.75 -11.04 C:5 13.75 -12.47 C:9 14.99 -10.31 19 1 -1 21 2 -1 3 9 2 4 17 2 20 5 -1 22 6 -1 23 7 -2 8 18 2 20 9 -2 10 12 1 10 18 1 11 14 1 11 19 1 12 21 1 13 15 1 13 20 1 14 22 1 15 23 1 16 19 1 16 20 1 17 18 1 17 22 1 19 23 1 21 22 1 21 23 1', '23 25 H 16.24 -9.96 H 13.75 -9.96 C 19.85 -8.23 C 12.48 -14.60 C 18.30 -7.71 C 13.75 -13.88 C 14.99 -11.72 O 10.10 -13.19 C 18.85 -9.25 C 11.30 -11.04 C 16.24 -12.47 C 12.49 -10.31 C 16.24 -8.17 C 14.99 -13.19 C 14.99 -8.88 C 17.47 -10.31 C 12.49 -13.19 C 11.30 -12.47 C 16.24 -11.04 C 17.47 -8.88 C 13.75 -11.04 C 13.75 -12.47 C 14.99 -10.31 19 1 -1 21 2 -1 3 9 2 4 17 2 20 5 -1 22 6 -1 23 7 -2 8 18 2 20 9 -2 10 12 1 10 18 1 11 14 1 11 19 1 12 21 1 13 15 1 13 20 1 14 22 1 15 23 1 16 19 1 16 20 1 17 18 1 17 22 1 19 23 1 21 22 1 21 23 1', '23 25 H 16.24 -9.96 H 13.75 -9.96 C:109 19.85 -8.23 C:117 12.48 -14.60 C:23 18.30 -7.71 C:34 13.75 -13.88 C:14 14.99 -11.72 O 10.10 -13.19 C:151 18.85 -9.25 C:37 11.30 -11.04 C:26 16.24 -12.47 C:18 12.49 -10.31 C:32 16.24 -8.17 C:38 14.99 -13.19 C:36 14.99 -8.88 C:39 17.47 -10.31 C:153 12.49 -13.19 C:204 11.30 -12.47 C:43 16.24 -11.04 C:37 17.47 -8.88 C:53 13.75 -11.04 C:41 13.75 -12.47 C:38 14.99 -10.31 19 1 -1 21 2 -1 3 9 2 4 17 2 20 5 -1 22 6 -1 23 7 -2 8 18 2 20 9 -2 10 12 1 10 18 1 11 14 1 11 19 1 12 21 1 13 15 1 13 20 1 14 22 1 15 23 1 16 19 1 16 20 1 17 18 1 17 22 1 19 23 1 21 22 1 21 23 1', 'C20H30O', 286.229, 'C', 'ph66_1465_5', 2569, '', '', '1', 1, NULL, NULL),
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(769, 'Deoxyhypoestenone ', '', 'Terpenoids', 'Diterpenoids', 'Fusicoccanes', '[H][C@@:7]13[CH2:6][C:5](=O)[C:4]([CH3:16])=[C:3]1[CH2:2][C@:1]2([CH3:15])[CH2:14][CH2:13][C@@H:12]([CH:18]([CH3:19])[CH3:20])[C@@:11]2([H])[CH2:10][CH:9]=[C:8]3[CH3:17]', '[H][C@@]13CC(=O)C(C)=C1C[C@]2(C)CC[C@@H](C(C)C)[C@@]2([H])CC=C3C', '[H][C@@:43]13[CH2:37][C:210](=O)[C:137]([CH3:9])=[C:176]1[CH2:42][C@:44]2([CH3:19])[CH2:43][CH2:23][C@@H:48]([CH:29]([CH3:20])[CH3:24])[C@@:56]2([H])[CH2:24][CH:130]=[C:138]3[CH3:19]', '23 25 H 12.58 -11.00 H 16.77 -9.12 C:17 11.91 -9.49 C:16 14.28 -15.10 C:20 17.57 -7.15 C:19 19.96 -7.92 C:15 17.23 -12.86 O 11.21 -14.58 C:9 14.28 -9.02 C:10 15.70 -9.02 C:13 18.95 -10.78 C:14 18.10 -11.95 C:6 11.96 -12.15 C:2 15.70 -12.53 C:8 13.25 -10.06 C:4 13.62 -13.82 C:5 12.19 -13.59 C:3 14.28 -12.53 C:18 18.55 -8.22 C:12 18.10 -9.60 C:7 13.25 -11.50 C:1 16.73 -11.50 C:11 16.73 -10.06 21 1 -2 23 2 -1 3 15 1 4 16 1 5 19 1 6 19 1 22 7 -2 8 17 2 9 10 1 9 15 2 10 23 1 11 12 1 11 20 1 12 22 1 13 17 1 13 21 1 14 18 1 14 22 1 15 21 1 16 17 1 16 18 2 18 21 1 20 19 -2 20 23 1 22 23 1', '23 25 H 12.58 -11.00 H 16.77 -9.12 C 11.91 -9.49 C 14.28 -15.10 C 17.57 -7.15 C 19.96 -7.92 C 17.23 -12.86 O 11.21 -14.58 C 14.28 -9.02 C 15.70 -9.02 C 18.95 -10.78 C 18.10 -11.95 C 11.96 -12.15 C 15.70 -12.53 C 13.25 -10.06 C 13.62 -13.82 C 12.19 -13.59 C 14.28 -12.53 C 18.55 -8.22 C 18.10 -9.60 C 13.25 -11.50 C 16.73 -11.50 C 16.73 -10.06 21 1 -2 23 2 -1 3 15 1 4 16 1 5 19 1 6 19 1 22 7 -2 8 17 2 9 10 1 9 15 2 10 23 1 11 12 1 11 20 1 12 22 1 13 17 1 13 21 1 14 18 1 14 22 1 15 21 1 16 17 1 16 18 2 18 21 1 20 19 -2 20 23 1 22 23 1', '23 25 H 12.58 -11.00 H 16.77 -9.12 C:19 11.91 -9.49 C:9 14.28 -15.10 C:24 17.57 -7.15 C:20 19.96 -7.92 C:19 17.23 -12.86 O 11.21 -14.58 C:130 14.28 -9.02 C:24 15.70 -9.02 C:23 18.95 -10.78 C:43 18.10 -11.95 C:37 11.96 -12.15 C:42 15.70 -12.53 C:138 13.25 -10.06 C:137 13.62 -13.82 C:210 12.19 -13.59 C:176 14.28 -12.53 C:29 18.55 -8.22 C:48 18.10 -9.60 C:43 13.25 -11.50 C:44 16.73 -11.50 C:56 16.73 -10.06 21 1 -2 23 2 -1 3 15 1 4 16 1 5 19 1 6 19 1 22 7 -2 8 17 2 9 10 1 9 15 2 10 23 1 11 12 1 11 20 1 12 22 1 13 17 1 13 21 1 14 18 1 14 22 1 15 21 1 16 17 1 16 18 2 18 21 1 20 19 -2 20 23 1 22 23 1', 'C20H30O', 286.229, 'C', 'ph_47_1331_2', 1575, '', '', '1', 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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(776, 'Brassicicene D', '', 'Terpenoids', 'Diterpenoids', 'Fusicoccanes', '[H][C@@:7]13[CH2:6][CH2:5][C@:4](O)([CH2:16]O[CH3:16001])[C:3]1=[CH:2][C@@:1]2(O)[C:14](=[CH2:15])[C:13](=O)[C:12]([CH:18]([CH3:20])[CH3:19])=[C:11]2[CH2:10][C@H:9](O)[C@@H:8]3[CH3:17]', '[H][C@@]13CC[C@](O)(COC)C1=C[C@@]2(O)C(=C)C(=O)C(C(C)C)=C2C[C@H](O)[C@@H]3C', '[H][C@@:45]13[CH2:35][CH2:36][C@:83](O)([CH2:78]O[CH3:59])[C:147]1=[CH:132][C@@:82]2(O)[C:153](=[CH2:103])[C:202](=O)[C:147]([CH:27]([CH3:19])[CH3:21])=[C:161]2[CH2:30][C@H:75](O)[C@@H:48]3[CH3:10]', '27 29 H 12.05 -9.82 C:15 17.93 -12.08 C:16001 13.62 -16.27 C:19 19.35 -6.78 C:20 16.98 -6.02 C:17 11.39 -8.34 O 19.74 -9.60 O 13.24 -6.58 O 12.45 -13.84 O 16.65 -11.66 C:2 15.13 -11.33 C:6 11.44 -10.95 C:5 11.66 -12.38 C:16 13.73 -13.87 C:10 15.13 -7.87 O 12.99 -15.04 C:14 17.51 -10.76 C:13 18.36 -9.60 C:11 16.15 -8.89 C:3 13.73 -11.33 C:12 17.51 -8.44 C:18 17.96 -7.08 C:8 12.71 -8.89 C:9 13.73 -7.87 C:7 12.71 -10.31 C:4 13.08 -12.61 C:1 16.15 -10.31 25 1 -2 2 17 2 3 16 1 4 22 1 5 22 1 23 6 -1 7 18 2 24 8 -1 26 9 -2 27 10 -1 11 20 2 11 27 1 12 13 1 12 25 1 13 26 1 14 16 1 26 14 -1 15 19 1 15 24 1 17 18 1 17 27 1 18 21 1 19 21 2 19 27 1 20 25 1 20 26 1 21 22 1 23 24 1 23 25 1', '27 29 H 12.05 -9.82 C 17.93 -12.08 C 13.62 -16.27 C 19.35 -6.78 C 16.98 -6.02 C 11.39 -8.34 O 19.74 -9.60 O 13.24 -6.58 O 12.45 -13.84 O 16.65 -11.66 C 15.13 -11.33 C 11.44 -10.95 C 11.66 -12.38 C 13.73 -13.87 C 15.13 -7.87 O 12.99 -15.04 C 17.51 -10.76 C 18.36 -9.60 C 16.15 -8.89 C 13.73 -11.33 C 17.51 -8.44 C 17.96 -7.08 C 12.71 -8.89 C 13.73 -7.87 C 12.71 -10.31 C 13.08 -12.61 C 16.15 -10.31 25 1 -2 2 17 2 3 16 1 4 22 1 5 22 1 23 6 -1 7 18 2 24 8 -1 26 9 -2 27 10 -1 11 20 2 11 27 1 12 13 1 12 25 1 13 26 1 14 16 1 26 14 -1 15 19 1 15 24 1 17 18 1 17 27 1 18 21 1 19 21 2 19 27 1 20 25 1 20 26 1 21 22 1 23 24 1 23 25 1', '27 29 H 12.05 -9.82 C:103 17.93 -12.08 C:59 13.62 -16.27 C:21 19.35 -6.78 C:19 16.98 -6.02 C:10 11.39 -8.34 O 19.74 -9.60 O 13.24 -6.58 O 12.45 -13.84 O 16.65 -11.66 C:132 15.13 -11.33 C:35 11.44 -10.95 C:36 11.66 -12.38 C:78 13.73 -13.87 C:30 15.13 -7.87 O 12.99 -15.04 C:153 17.51 -10.76 C:202 18.36 -9.60 C:161 16.15 -8.89 C:147 13.73 -11.33 C:147 17.51 -8.44 C:27 17.96 -7.08 C:48 12.71 -8.89 C:75 13.73 -7.87 C:45 12.71 -10.31 C:83 13.08 -12.61 C:82 16.15 -10.31 25 1 -2 2 17 2 3 16 1 4 22 1 5 22 1 23 6 -1 7 18 2 24 8 -1 26 9 -2 27 10 -1 11 20 2 11 27 1 12 13 1 12 25 1 13 26 1 14 16 1 26 14 -1 15 19 1 15 24 1 17 18 1 17 27 1 18 21 1 19 21 2 19 27 1 20 25 1 20 26 1 21 22 1 23 24 1 23 25 1', 'C21H30O5', 362.23, 'M', 'ph_51_215_5', 1406, '', '', '1', 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
(788, 'Rhodomollein XVII', '', 'Terpenoids', 'Diterpenoids', 'Grayananes', '[H][C@@:9]13[CH2:11][CH2:12][C@@H:13]4[CH2:14][C@@:8]1([CH2:7][C@@H:6](O)[C@:5]2(O)[C@:4]([CH3:19])([CH3:18])[C@@H:3](O)[CH2:2][C@:1]2([H])[C@@:10]3([CH3:20])O)[CH2:15][C@@:16]4([CH3:17])O', '[H][C@@]13CC[C@@H]4C[C@@]1(C[C@@H](O)[C@]2(O)[C@](C)(C)[C@@H](O)C[C@]2([H])[C@@]3(C)O)C[C@@]4(C)O', '[H][C@@:60]13[CH2:20][CH2:28][C@@H:50]4[CH2:38][C@@:47]1([CH2:50][C@@H:71](O)[C@:86]2(O)[C@:51]([CH3:22])([CH3:23])[C@@H:83](O)[CH2:37][C@:65]2([H])[C@@:78]3([CH3:24])O)[CH2:61][C@@:78]4([CH3:25])O', '27 30 H 17.05 -9.18 H 14.68 -8.67 C:17 20.36 -13.29 C:19 11.42 -11.82 C:18 12.64 -12.16 C:20 15.36 -7.93 O 10.74 -9.04 O 13.61 -13.34 O 19.45 -14.35 O 16.61 -8.25 O 15.12 -10.86 C:12 19.18 -10.11 C:11 17.93 -9.45 C:2 13.31 -8.70 C:7 15.71 -12.45 C:14 17.98 -12.22 C:15 17.02 -13.06 C:3 12.09 -9.39 C:6 14.36 -12.16 C:13 19.18 -11.49 C:16 18.98 -13.03 C:4 12.37 -10.75 C:9 16.77 -10.15 C:1 14.31 -9.64 C:10 15.66 -9.33 C:8 16.77 -11.53 C:5 13.73 -10.89 23 1 -1 24 2 -1 21 3 -1 22 4 -1 22 5 -2 25 6 -2 18 7 -1 19 8 -1 21 9 -2 25 10 -1 27 11 -1 12 13 1 12 20 1 13 23 1 14 18 1 14 24 1 15 19 1 15 26 1 16 20 1 16 26 1 17 21 1 26 17 -1 18 22 1 19 27 1 20 21 -1 22 27 1 23 25 1 23 26 1 24 25 1 24 27 1', '27 30 H 17.05 -9.18 H 14.68 -8.67 C 20.36 -13.29 C 11.42 -11.82 C 12.64 -12.16 C 15.36 -7.93 O 10.74 -9.04 O 13.61 -13.34 O 19.45 -14.35 O 16.61 -8.25 O 15.12 -10.86 C 19.18 -10.11 C 17.93 -9.45 C 13.31 -8.70 C 15.71 -12.45 C 17.98 -12.22 C 17.02 -13.06 C 12.09 -9.39 C 14.36 -12.16 C 19.18 -11.49 C 18.98 -13.03 C 12.37 -10.75 C 16.77 -10.15 C 14.31 -9.64 C 15.66 -9.33 C 16.77 -11.53 C 13.73 -10.89 23 1 -1 24 2 -1 21 3 -1 22 4 -1 22 5 -2 25 6 -2 18 7 -1 19 8 -1 21 9 -2 25 10 -1 27 11 -1 12 13 1 12 20 1 13 23 1 14 18 1 14 24 1 15 19 1 15 26 1 16 20 1 16 26 1 17 21 1 26 17 -1 18 22 1 19 27 1 20 21 -1 22 27 1 23 25 1 23 26 1 24 25 1 24 27 1', '27 30 H 17.05 -9.18 H 14.68 -8.67 C:25 20.36 -13.29 C:22 11.42 -11.82 C:23 12.64 -12.16 C:24 15.36 -7.93 O 10.74 -9.04 O 13.61 -13.34 O 19.45 -14.35 O 16.61 -8.25 O 15.12 -10.86 C:28 19.18 -10.11 C:20 17.93 -9.45 C:37 13.31 -8.70 C:50 15.71 -12.45 C:38 17.98 -12.22 C:61 17.02 -13.06 C:83 12.09 -9.39 C:71 14.36 -12.16 C:50 19.18 -11.49 C:78 18.98 -13.03 C:51 12.37 -10.75 C:60 16.77 -10.15 C:65 14.31 -9.64 C:78 15.66 -9.33 C:47 16.77 -11.53 C:86 13.73 -10.89 23 1 -1 24 2 -1 21 3 -1 22 4 -1 22 5 -2 25 6 -2 18 7 -1 19 8 -1 21 9 -2 25 10 -1 27 11 -1 12 13 1 12 20 1 13 23 1 14 18 1 14 24 1 15 19 1 15 26 1 16 20 1 16 26 1 17 21 1 26 17 -1 18 22 1 19 27 1 20 21 -1 22 27 1 23 25 1 23 26 1 24 25 1 24 27 1', 'C20H34O5', 354.227, 'P', 'np00_1214_3', 1284, '', '', '1', 1, NULL, NULL),
(789, 'Rhodomollein XVIII', '', 'Terpenoids', 'Diterpenoids', 'Grayananes', '[H][C@@:9]13[CH2:11][CH2:12][C@@H:13]4[C@@H:14](O)[C@@:8]1([CH2:7][C@@H:6](O)[C@:5]2(O)[C@@:4]([CH3:18])([CH3:19])[C@@H:3](O)[C@H:2](O)[C@@:1]2([H])[C@:10]3([CH3:20])O)[CH2:15][C@@:16]4([CH3:17])O', '[H][C@@]13CC[C@@H]4[C@@H](O)[C@@]1(C[C@@H](O)[C@]2(O)[C@@](C)(C)[C@@H](O)[C@H](O)[C@@]2([H])[C@]3(C)O)C[C@@]4(C)O', '[H][C@@:57]13[CH2:22][CH2:27][C@@H:57]4[C@@H:80](O)[C@@:53]1([CH2:45][C@@H:75](O)[C@:84]2(O)[C@@:48]([CH3:23])([CH3:20])[C@@H:84](O)[C@H:75](O)[C@@:52]2([H])[C@:79]3([CH3:31])O)[CH2:60][C@@:80]4([CH3:24])O', '29 32 H 17.08 -9.45 H 14.71 -9.03 C:17 20.39 -13.59 C:18 12.67 -12.48 C:19 11.45 -12.14 C:20 16.63 -8.56 O 13.63 -13.65 O 10.77 -9.34 O 13.53 -7.59 O 17.99 -13.95 O 19.47 -14.65 O 15.39 -8.24 O 15.14 -11.17 C:12 19.18 -10.43 C:11 17.95 -9.76 C:7 15.75 -12.75 C:15 17.05 -13.36 C:6 14.39 -12.48 C:3 12.12 -9.70 C:2 13.33 -9.00 C:14 18.01 -12.54 C:13 19.18 -11.80 C:16 19.00 -13.33 C:4 12.40 -11.07 C:9 16.82 -10.47 C:10 15.69 -9.64 C:1 14.34 -9.95 C:8 16.82 -11.84 C:5 13.75 -11.20 25 1 -1 27 2 -2 23 3 -1 24 4 -2 24 5 -1 26 6 -1 18 7 -1 19 8 -1 20 9 -2 21 10 -1 23 11 -2 26 12 -2 29 13 -1 14 15 1 14 22 1 15 25 1 16 18 1 16 28 1 17 23 1 28 17 -1 18 29 1 19 20 1 19 24 1 20 27 1 21 22 1 21 28 1 22 23 -1 24 29 1 25 26 1 25 28 1 26 27 1 27 29 1', '29 32 H 17.08 -9.45 H 14.71 -9.03 C 20.39 -13.59 C 12.67 -12.48 C 11.45 -12.14 C 16.63 -8.56 O 13.63 -13.65 O 10.77 -9.34 O 13.53 -7.59 O 17.99 -13.95 O 19.47 -14.65 O 15.39 -8.24 O 15.14 -11.17 C 19.18 -10.43 C 17.95 -9.76 C 15.75 -12.75 C 17.05 -13.36 C 14.39 -12.48 C 12.12 -9.70 C 13.33 -9.00 C 18.01 -12.54 C 19.18 -11.80 C 19.00 -13.33 C 12.40 -11.07 C 16.82 -10.47 C 15.69 -9.64 C 14.34 -9.95 C 16.82 -11.84 C 13.75 -11.20 25 1 -1 27 2 -2 23 3 -1 24 4 -2 24 5 -1 26 6 -1 18 7 -1 19 8 -1 20 9 -2 21 10 -1 23 11 -2 26 12 -2 29 13 -1 14 15 1 14 22 1 15 25 1 16 18 1 16 28 1 17 23 1 28 17 -1 18 29 1 19 20 1 19 24 1 20 27 1 21 22 1 21 28 1 22 23 -1 24 29 1 25 26 1 25 28 1 26 27 1 27 29 1', '29 32 H 17.08 -9.45 H 14.71 -9.03 C:24 20.39 -13.59 C:23 12.67 -12.48 C:20 11.45 -12.14 C:31 16.63 -8.56 O 13.63 -13.65 O 10.77 -9.34 O 13.53 -7.59 O 17.99 -13.95 O 19.47 -14.65 O 15.39 -8.24 O 15.14 -11.17 C:27 19.18 -10.43 C:22 17.95 -9.76 C:45 15.75 -12.75 C:60 17.05 -13.36 C:75 14.39 -12.48 C:84 12.12 -9.70 C:75 13.33 -9.00 C:80 18.01 -12.54 C:57 19.18 -11.80 C:80 19.00 -13.33 C:48 12.40 -11.07 C:57 16.82 -10.47 C:79 15.69 -9.64 C:52 14.34 -9.95 C:53 16.82 -11.84 C:84 13.75 -11.20 25 1 -1 27 2 -2 23 3 -1 24 4 -2 24 5 -1 26 6 -1 18 7 -1 19 8 -1 20 9 -2 21 10 -1 23 11 -2 26 12 -2 29 13 -1 14 15 1 14 22 1 15 25 1 16 18 1 16 28 1 17 23 1 28 17 -1 18 29 1 19 20 1 19 24 1 20 27 1 21 22 1 21 28 1 22 23 -1 24 29 1 25 26 1 25 28 1 26 27 1 27 29 1', 'C20H34O7', 386.226, 'P', 'np00_1214_4', 1284, '', '', '1', 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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(804, '', '2alfa,3beta,5beta,6beta,14beta,16R-pentahydroxygrayanane', 'Terpenoids', 'Diterpenoids', 'Grayananes', '[H][C@@:9]13[CH2:11][CH2:12][C@@H:13]4[C@@H:14](O)[C@@:8]1([CH2:7][C@@H:6](O)[C@:5]2(O)[C@:4]([CH3:19])([CH3:18])[C@H:3](O)[C@H:2](O)[C@@:1]2([H])[C@:10]3([CH3:20])O)[CH2:15][C@@:16]4([CH3:17])O', '[H][C@@]13CC[C@@H]4[C@@H](O)[C@@]1(C[C@@H](O)[C@]2(O)[C@](C)(C)[C@H](O)[C@H](O)[C@@]2([H])[C@]3(C)O)C[C@@]4(C)O', '[H][C@@:56]13[CH2:22][CH2:27][C@@H:55]4[C@@H:80](O)[C@@:52]1([CH2:45][C@@H:73](O)[C@:83]2(O)[C@:49]([CH3:20])([CH3:26])[C@H:87](O)[C@H:81](O)[C@@:58]2([H])[C@:78]3([CH3:30])O)[CH2:61][C@@:80]4([CH3:24])O', '29 32 H 16.74 -9.58 H 14.58 -9.06 C:17 20.31 -13.70 C:19 10.90 -11.43 C:18 11.94 -12.41 C:20 16.39 -8.46 O 13.40 -13.57 O 10.77 -9.04 O 13.46 -7.59 O 17.91 -14.00 O 19.37 -14.75 O 15.33 -8.27 O 15.06 -11.36 C:12 19.14 -10.50 C:11 17.93 -9.81 C:7 15.63 -12.78 C:15 16.96 -13.42 C:6 14.27 -12.46 C:3 12.03 -9.65 C:2 13.26 -8.99 C:14 17.93 -12.58 C:13 19.14 -11.88 C:16 18.92 -13.42 C:4 12.28 -11.02 C:9 16.74 -10.50 C:10 15.63 -9.64 C:1 14.27 -9.94 C:8 16.74 -11.88 C:5 13.66 -11.19 25 1 -1 27 2 -2 23 3 -1 24 4 -1 24 5 -2 26 6 -1 18 7 -1 19 8 -2 20 9 -2 21 10 -1 23 11 -2 26 12 -2 29 13 -1 14 15 1 14 22 1 15 25 1 16 18 1 16 28 1 17 23 1 28 17 -1 18 29 1 19 20 1 19 24 1 20 27 1 21 22 1 21 28 1 22 23 -1 24 29 1 25 26 1 25 28 1 26 27 1 27 29 1', '29 32 H 16.74 -9.58 H 14.58 -9.06 C 20.31 -13.70 C 10.90 -11.43 C 11.94 -12.41 C 16.39 -8.46 O 13.40 -13.57 O 10.77 -9.04 O 13.46 -7.59 O 17.91 -14.00 O 19.37 -14.75 O 15.33 -8.27 O 15.06 -11.36 C 19.14 -10.50 C 17.93 -9.81 C 15.63 -12.78 C 16.96 -13.42 C 14.27 -12.46 C 12.03 -9.65 C 13.26 -8.99 C 17.93 -12.58 C 19.14 -11.88 C 18.92 -13.42 C 12.28 -11.02 C 16.74 -10.50 C 15.63 -9.64 C 14.27 -9.94 C 16.74 -11.88 C 13.66 -11.19 25 1 -1 27 2 -2 23 3 -1 24 4 -1 24 5 -2 26 6 -1 18 7 -1 19 8 -2 20 9 -2 21 10 -1 23 11 -2 26 12 -2 29 13 -1 14 15 1 14 22 1 15 25 1 16 18 1 16 28 1 17 23 1 28 17 -1 18 29 1 19 20 1 19 24 1 20 27 1 21 22 1 21 28 1 22 23 -1 24 29 1 25 26 1 25 28 1 26 27 1 27 29 1', '29 32 H 16.74 -9.58 H 14.58 -9.06 C:24 20.31 -13.70 C:20 10.90 -11.43 C:26 11.94 -12.41 C:30 16.39 -8.46 O 13.40 -13.57 O 10.77 -9.04 O 13.46 -7.59 O 17.91 -14.00 O 19.37 -14.75 O 15.33 -8.27 O 15.06 -11.36 C:27 19.14 -10.50 C:22 17.93 -9.81 C:45 15.63 -12.78 C:61 16.96 -13.42 C:73 14.27 -12.46 C:87 12.03 -9.65 C:81 13.26 -8.99 C:80 17.93 -12.58 C:55 19.14 -11.88 C:80 18.92 -13.42 C:49 12.28 -11.02 C:56 16.74 -10.50 C:78 15.63 -9.64 C:58 14.27 -9.94 C:52 16.74 -11.88 C:83 13.66 -11.19 25 1 -1 27 2 -2 23 3 -1 24 4 -1 24 5 -2 26 6 -1 18 7 -1 19 8 -2 20 9 -2 21 10 -1 23 11 -2 26 12 -2 29 13 -1 14 15 1 14 22 1 15 25 1 16 18 1 16 28 1 17 23 1 28 17 -1 18 29 1 19 20 1 19 24 1 20 27 1 21 22 1 21 28 1 22 23 -1 24 29 1 25 26 1 25 28 1 26 27 1 27 29 1', 'C20H34O7', 386.226, 'P', 'np05_1646_5a', 927, '', '', '1', 1, NULL, NULL),
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(817, 'Grayanotoxin I', '', 'Terpenoids', 'Diterpenoids', 'Grayananes', '[H][C@@:9]13[CH2:11][CH2:12][C@@H:13]4[C@@H:14](O[C:14001]([CH3:14002])=O)[C@@:8]1([CH2:7][C@@H:6](O)[C@:5]2(O)[C@:4]([CH3:19])([CH3:18])[C@@H:3](O)[CH2:2][C@@:1]2([H])[C@:10]3([CH3:20])O)[CH2:15][C@@:16]4([CH3:17])O', '[H][C@@]13CC[C@@H]4[C@@H](OC(C)=O)[C@@]1(C[C@@H](O)[C@]2(O)[C@](C)(C)[C@@H](O)C[C@@]2([H])[C@]3(C)O)C[C@@]4(C)O', '[H][C@@:56]13[CH2:22][CH2:27][C@@H:55]4[C@@H:83](O[C:170]([CH3:21])=O)[C@@:51]1([CH2:44][C@@H:74](O)[C@:84]2(O)[C@:52]([CH3:20])([CH3:23])[C@@H:83](O)[CH2:36][C@@:51]2([H])[C@:78]3([CH3:28])O)[CH2:61][C@@:79]4([CH3:24])O', '31 34 H 16.94 -8.24 H 14.62 -7.77 C:14002 17.49 -15.14 C:19 11.03 -10.22 C:18 12.06 -11.17 C:17 20.26 -12.43 C:20 16.18 -7.14 O 15.59 -13.64 O 10.90 -7.86 O 13.48 -12.39 O 19.33 -13.48 O 15.04 -7.18 O 15.56 -10.00 C:12 19.10 -9.28 C:11 17.90 -8.62 C:2 13.36 -7.81 C:7 15.67 -11.52 C:15 16.98 -12.15 O 17.85 -12.75 C:14001 16.98 -13.83 C:3 12.14 -8.47 C:6 14.33 -11.22 C:13 19.10 -10.64 C:14 17.90 -11.33 C:4 12.39 -9.82 C:16 18.89 -12.15 C:10 15.67 -8.46 C:9 16.75 -9.28 C:1 14.33 -8.75 C:8 16.75 -10.64 C:5 13.73 -9.99 28 1 -1 29 2 -2 3 20 1 25 4 -1 25 5 -2 26 6 -1 27 7 -1 8 20 2 21 9 -1 22 10 -1 26 11 -2 27 12 -2 31 13 -1 14 15 1 14 23 1 15 28 1 16 21 1 16 29 1 17 22 1 17 30 1 18 26 1 30 18 -1 19 20 1 24 19 -1 21 25 1 22 31 1 23 24 1 23 26 -1 24 30 1 25 31 1 27 28 1 27 29 1 28 30 1 29 31 1', '31 34 H 16.94 -8.24 H 14.62 -7.77 C 17.49 -15.14 C 11.03 -10.22 C 12.06 -11.17 C 20.26 -12.43 C 16.18 -7.14 O 15.59 -13.64 O 10.90 -7.86 O 13.48 -12.39 O 19.33 -13.48 O 15.04 -7.18 O 15.56 -10.00 C 19.10 -9.28 C 17.90 -8.62 C 13.36 -7.81 C 15.67 -11.52 C 16.98 -12.15 O 17.85 -12.75 C 16.98 -13.83 C 12.14 -8.47 C 14.33 -11.22 C 19.10 -10.64 C 17.90 -11.33 C 12.39 -9.82 C 18.89 -12.15 C 15.67 -8.46 C 16.75 -9.28 C 14.33 -8.75 C 16.75 -10.64 C 13.73 -9.99 28 1 -1 29 2 -2 3 20 1 25 4 -1 25 5 -2 26 6 -1 27 7 -1 8 20 2 21 9 -1 22 10 -1 26 11 -2 27 12 -2 31 13 -1 14 15 1 14 23 1 15 28 1 16 21 1 16 29 1 17 22 1 17 30 1 18 26 1 30 18 -1 19 20 1 24 19 -1 21 25 1 22 31 1 23 24 1 23 26 -1 24 30 1 25 31 1 27 28 1 27 29 1 28 30 1 29 31 1', '31 34 H 16.94 -8.24 H 14.62 -7.77 C:21 17.49 -15.14 C:20 11.03 -10.22 C:23 12.06 -11.17 C:24 20.26 -12.43 C:28 16.18 -7.14 O 15.59 -13.64 O 10.90 -7.86 O 13.48 -12.39 O 19.33 -13.48 O 15.04 -7.18 O 15.56 -10.00 C:27 19.10 -9.28 C:22 17.90 -8.62 C:36 13.36 -7.81 C:44 15.67 -11.52 C:61 16.98 -12.15 O 17.85 -12.75 C:170 16.98 -13.83 C:83 12.14 -8.47 C:74 14.33 -11.22 C:55 19.10 -10.64 C:83 17.90 -11.33 C:52 12.39 -9.82 C:79 18.89 -12.15 C:78 15.67 -8.46 C:56 16.75 -9.28 C:51 14.33 -8.75 C:51 16.75 -10.64 C:84 13.73 -9.99 28 1 -1 29 2 -2 3 20 1 25 4 -1 25 5 -2 26 6 -1 27 7 -1 8 20 2 21 9 -1 22 10 -1 26 11 -2 27 12 -2 31 13 -1 14 15 1 14 23 1 15 28 1 16 21 1 16 29 1 17 22 1 17 30 1 18 26 1 30 18 -1 19 20 1 24 19 -1 21 25 1 22 31 1 23 24 1 23 26 -1 24 30 1 25 31 1 27 28 1 27 29 1 28 30 1 29 31 1', 'C22H36O7', 412.247, 'P', 'ph_49_2045_4', 524, '', '', '1', 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
(818, 'Pierisformoside B', '', 'Terpenoids', 'Diterpenoids', 'Grayananes', '[H][C@@:9]14[CH2:11][CH2:12][C@@H:13]5[CH2:14][C@@:8]1([CH2:7][CH2:6][C@@:5]3(O)[C@:1]([H])([CH2:2][C@H:3](O[CH:3001]2O[C@H:3005]([CH2:3006]O)[C@@H:3004](O)[C@H:3003](O)[C@H:3002]2O)[C@@:4]3([CH3:19])[CH3:18])[C:10]4=[CH2:20])[CH2:15][C@@:16]5([CH3:17])O', '[H][C@@]14CC[C@@H]5C[C@@]1(CC[C@@]3(O)[C@]([H])(C[C@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]3(C)C)C4=C)C[C@@]5(C)O', '[H][C@@:54]14[CH2:26][CH2:25][C@@H:49]5[CH2:36][C@@:47]1([CH2:40][CH2:33][C@@:82]3(O)[C@:51]([H])([CH2:35][C@H:89](O[CH:106]2O[C@H:78]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]2O)[C@@:52]3([CH3:19])[CH3:21])[C:151]4=[CH2:111])[CH2:59][C@@:80]5([CH3:25])O', '36 40 H 18.31 -11.75 H 15.95 -11.29 C:20 17.30 -10.60 C:17 21.60 -15.67 C:18 13.38 -14.68 C:19 12.34 -13.73 O 15.63 -7.62 O 9.50 -7.32 O 11.84 -5.76 O 9.69 -10.13 O 21.26 -16.58 O 16.88 -13.51 C:3006 14.37 -7.00 C:12 20.44 -12.80 C:11 19.24 -12.14 C:7 16.99 -15.03 C:6 15.66 -14.73 C:14 19.24 -14.84 C:2 14.68 -11.32 C:15 18.32 -15.67 O 13.28 -9.19 O 12.21 -11.37 C:10 16.99 -11.98 C:3003 10.76 -7.94 C:3004 11.93 -7.16 C:3002 10.85 -9.35 C:3005 13.19 -7.78 C:13 20.44 -14.15 C:3001 12.12 -9.97 C:3 13.46 -11.99 C:16 20.23 -15.67 C:9 18.08 -12.80 C:1 15.66 -12.28 C:4 13.71 -13.33 C:8 18.08 -14.15 C:5 15.05 -13.50 32 1 -1 33 2 -1 3 23 2 31 4 -1 34 5 -2 34 6 -1 7 13 1 24 8 -1 25 9 -2 26 10 -2 31 11 -2 36 12 -1 27 13 -1 14 15 1 14 28 1 15 32 1 16 17 1 16 35 1 17 36 1 18 28 1 18 35 1 19 30 1 19 33 1 20 31 1 35 20 -1 21 27 1 21 29 1 22 29 1 30 22 -1 23 32 1 23 33 1 24 25 1 24 26 1 25 27 1 26 29 1 28 31 -1 30 34 1 32 35 1 33 36 1 34 36 1', '36 40 H 18.31 -11.75 H 15.95 -11.29 C 17.30 -10.60 C 21.60 -15.67 C 13.38 -14.68 C 12.34 -13.73 O 15.63 -7.62 O 9.50 -7.32 O 11.84 -5.76 O 9.69 -10.13 O 21.26 -16.58 O 16.88 -13.51 C 14.37 -7.00 C 20.44 -12.80 C 19.24 -12.14 C 16.99 -15.03 C 15.66 -14.73 C 19.24 -14.84 C 14.68 -11.32 C 18.32 -15.67 O 13.28 -9.19 O 12.21 -11.37 C 16.99 -11.98 C 10.76 -7.94 C 11.93 -7.16 C 10.85 -9.35 C 13.19 -7.78 C 20.44 -14.15 C 12.12 -9.97 C 13.46 -11.99 C 20.23 -15.67 C 18.08 -12.80 C 15.66 -12.28 C 13.71 -13.33 C 18.08 -14.15 C 15.05 -13.50 32 1 -1 33 2 -1 3 23 2 31 4 -1 34 5 -2 34 6 -1 7 13 1 24 8 -1 25 9 -2 26 10 -2 31 11 -2 36 12 -1 27 13 -1 14 15 1 14 28 1 15 32 1 16 17 1 16 35 1 17 36 1 18 28 1 18 35 1 19 30 1 19 33 1 20 31 1 35 20 -1 21 27 1 21 29 1 22 29 1 30 22 -1 23 32 1 23 33 1 24 25 1 24 26 1 25 27 1 26 29 1 28 31 -1 30 34 1 32 35 1 33 36 1 34 36 1', '36 40 H 18.31 -11.75 H 15.95 -11.29 C:111 17.30 -10.60 C:25 21.60 -15.67 C:21 13.38 -14.68 C:19 12.34 -13.73 O 15.63 -7.62 O 9.50 -7.32 O 11.84 -5.76 O 9.69 -10.13 O 21.26 -16.58 O 16.88 -13.51 C:63 14.37 -7.00 C:25 20.44 -12.80 C:26 19.24 -12.14 C:40 16.99 -15.03 C:33 15.66 -14.73 C:36 19.24 -14.84 C:35 14.68 -11.32 C:59 18.32 -15.67 O 13.28 -9.19 O 12.21 -11.37 C:151 16.99 -11.98 C:79 10.76 -7.94 C:72 11.93 -7.16 C:76 10.85 -9.35 C:78 13.19 -7.78 C:49 20.44 -14.15 C:106 12.12 -9.97 C:89 13.46 -11.99 C:80 20.23 -15.67 C:54 18.08 -12.80 C:51 15.66 -12.28 C:52 13.71 -13.33 C:47 18.08 -14.15 C:82 15.05 -13.50 32 1 -1 33 2 -1 3 23 2 31 4 -1 34 5 -2 34 6 -1 7 13 1 24 8 -1 25 9 -2 26 10 -2 31 11 -2 36 12 -1 27 13 -1 14 15 1 14 28 1 15 32 1 16 17 1 16 35 1 17 36 1 18 28 1 18 35 1 19 30 1 19 33 1 20 31 1 35 20 -1 21 27 1 21 29 1 22 29 1 30 22 -1 23 32 1 23 33 1 24 25 1 24 26 1 25 27 1 26 29 1 28 31 -1 30 34 1 32 35 1 33 36 1 34 36 1', 'C26H42O8', 482.289, 'P', 'ph_54_847_1', 2405, '', '', '1', 1, NULL, NULL),
(819, 'Pierisformoside C', '', 'Terpenoids', 'Diterpenoids', 'Grayananes', '[H][C@@:9]14[CH2:11][CH2:12][C@@H:13]5[CH2:14][C@@:8]1([CH:7]=[CH:6][C:5]3=[C:1]([CH2:2][C@H:3](O[CH:3001]2O[C@H:3005]([CH2:3006]O)[C@@H:3004](O)[C@H:3003](O)[C@H:3002]2O)[C@@:4]3([CH3:19])[CH3:18])[C:10]4=[CH2:20])[CH2:15][C@@:16]5([CH3:17])O', '[H][C@@]14CC[C@@H]5C[C@@]1(C=CC3=C(C[C@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]3(C)C)C4=C)C[C@@]5(C)O', '[H][C@@:47]14[CH2:25][CH2:26][C@@H:51]5[CH2:41][C@@:51]1([CH:143]=[CH:119][C:140]3=[C:138]([CH2:42][C@H:87](O[CH:106]2O[C@H:79]([CH2:63]O)[C@@H:72](O)[C@H:79](O)[C@H:76]2O)[C@@:51]3([CH3:22])[CH3:26])[C:149]4=[CH2:115])[CH2:58][C@@:80]5([CH3:25])O', '34 38 H 18.27 -11.70 C:20 17.31 -10.55 C:17 21.61 -15.63 C:18 13.38 -14.64 C:19 12.35 -13.69 O 15.63 -7.57 O 9.51 -7.27 O 11.85 -5.71 O 9.70 -10.08 O 21.28 -16.54 C:6 15.67 -14.69 C:7 17.00 -14.99 C:3006 14.38 -6.95 C:12 20.46 -12.75 C:11 19.26 -12.09 C:2 14.69 -11.27 C:14 19.26 -14.80 C:15 18.33 -15.63 O 13.29 -9.14 O 12.22 -11.32 C:10 17.00 -11.93 C:1 15.67 -12.22 C:5 15.06 -13.46 C:3003 10.77 -7.89 C:3004 11.94 -7.11 C:3002 10.86 -9.30 C:13 20.46 -14.11 C:3005 13.20 -7.73 C:3 13.46 -11.94 C:3001 12.13 -9.92 C:16 20.25 -15.63 C:4 13.72 -13.28 C:9 18.09 -12.75 C:8 18.09 -14.11 33 1 -1 2 21 2 31 3 -1 32 4 -2 32 5 -1 6 13 1 24 7 -1 25 8 -2 26 9 -2 31 10 -2 11 12 2 11 23 1 12 34 1 28 13 -1 14 15 1 14 27 1 15 33 1 16 22 1 16 29 1 17 27 1 17 34 1 18 31 1 34 18 -1 19 28 1 19 30 1 29 20 -1 20 30 1 21 22 1 21 33 1 22 23 2 23 32 1 24 25 1 24 26 1 25 28 1 26 30 1 27 31 -1 29 32 1 33 34 1', '34 38 H 18.27 -11.70 C 17.31 -10.55 C 21.61 -15.63 C 13.38 -14.64 C 12.35 -13.69 O 15.63 -7.57 O 9.51 -7.27 O 11.85 -5.71 O 9.70 -10.08 O 21.28 -16.54 C 15.67 -14.69 C 17.00 -14.99 C 14.38 -6.95 C 20.46 -12.75 C 19.26 -12.09 C 14.69 -11.27 C 19.26 -14.80 C 18.33 -15.63 O 13.29 -9.14 O 12.22 -11.32 C 17.00 -11.93 C 15.67 -12.22 C 15.06 -13.46 C 10.77 -7.89 C 11.94 -7.11 C 10.86 -9.30 C 20.46 -14.11 C 13.20 -7.73 C 13.46 -11.94 C 12.13 -9.92 C 20.25 -15.63 C 13.72 -13.28 C 18.09 -12.75 C 18.09 -14.11 33 1 -1 2 21 2 31 3 -1 32 4 -2 32 5 -1 6 13 1 24 7 -1 25 8 -2 26 9 -2 31 10 -2 11 12 2 11 23 1 12 34 1 28 13 -1 14 15 1 14 27 1 15 33 1 16 22 1 16 29 1 17 27 1 17 34 1 18 31 1 34 18 -1 19 28 1 19 30 1 29 20 -1 20 30 1 21 22 1 21 33 1 22 23 2 23 32 1 24 25 1 24 26 1 25 28 1 26 30 1 27 31 -1 29 32 1 33 34 1', '34 38 H 18.27 -11.70 C:115 17.31 -10.55 C:25 21.61 -15.63 C:26 13.38 -14.64 C:22 12.35 -13.69 O 15.63 -7.57 O 9.51 -7.27 O 11.85 -5.71 O 9.70 -10.08 O 21.28 -16.54 C:119 15.67 -14.69 C:143 17.00 -14.99 C:63 14.38 -6.95 C:26 20.46 -12.75 C:25 19.26 -12.09 C:42 14.69 -11.27 C:41 19.26 -14.80 C:58 18.33 -15.63 O 13.29 -9.14 O 12.22 -11.32 C:149 17.00 -11.93 C:138 15.67 -12.22 C:140 15.06 -13.46 C:79 10.77 -7.89 C:72 11.94 -7.11 C:76 10.86 -9.30 C:51 20.46 -14.11 C:79 13.20 -7.73 C:87 13.46 -11.94 C:106 12.13 -9.92 C:80 20.25 -15.63 C:51 13.72 -13.28 C:47 18.09 -12.75 C:51 18.09 -14.11 33 1 -1 2 21 2 31 3 -1 32 4 -2 32 5 -1 6 13 1 24 7 -1 25 8 -2 26 9 -2 31 10 -2 11 12 2 11 23 1 12 34 1 28 13 -1 14 15 1 14 27 1 15 33 1 16 22 1 16 29 1 17 27 1 17 34 1 18 31 1 34 18 -1 19 28 1 19 30 1 29 20 -1 20 30 1 21 22 1 21 33 1 22 23 2 23 32 1 24 25 1 24 26 1 25 28 1 26 30 1 27 31 -1 29 32 1 33 34 1', 'C26H38O7', 462.282, 'P', 'ph_54_847_2', 2405, '', '', '1', 1, NULL, NULL),
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(834, 'Amoenolide M ', '', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[CH3:17][C@H:8]3[CH2:7][C@H:6](O)[C:5]1=[C:10]([CH2:1][CH2:2][C:3](=O)[C@:4]1([CH3:18])[CH2:19]O[C:19001](=O)[CH2:19002][CH2:19003][c:19004]2[cH:19005][cH:19006][c:19007](O)[cH:19008][cH:19009]2)[C@:9]3([CH3:20])[CH2:11][CH2:12][C:13]4=[CH:14][C:15](=O)O[CH2:16]4', 'C[C@H]3C[C@H](O)C1=C(CCC(=O)[C@]1(C)COC(=O)CCc2ccc(O)cc2)[C@]3(C)CCC4=CC(=O)OC4', '[CH3:16][C@H:31]3[CH2:38][C@H:69](O)[C:137]1=[C:140]([CH2:25][CH2:37][C:213](=O)[C@:51]1([CH3:24])[CH2:66]O[C:173](=O)[CH2:37][CH2:30][c:132]2[cH:129][cH:116][c:155](O)[cH:116][cH:129]2)[C@:42]3([CH3:21])[CH2:34][CH2:24][C:171]4=[CH:115][C:174](=O)O[CH2:73]4', '36 39 C:17 19.32 -7.61 C:18 15.33 -11.51 C:20 17.97 -6.72 O 19.60 -0.83 O 11.53 -13.49 O 11.98 -10.48 O 13.96 -21.41 O 16.84 -11.86 C:14 19.21 -3.25 C:19008 14.49 -19.07 C:19006 12.20 -19.76 C:19009 14.09 -17.76 C:19005 11.81 -18.44 C:2 13.17 -8.31 C:19002 13.30 -15.12 C:1 14.39 -7.61 C:12 18.10 -5.46 C:19003 12.36 -16.13 C:16 16.97 -3.25 C:11 16.85 -6.18 C:19 13.45 -11.49 C:7 18.10 -9.75 O 17.40 -1.94 O 13.84 -12.81 C:15 18.78 -1.94 C:19001 12.90 -13.81 C:13 18.10 -4.06 C:3 13.17 -9.75 C:10 15.63 -8.31 C:5 15.63 -9.75 C:19007 13.55 -20.08 C:19004 12.75 -17.44 C:8 18.10 -8.31 C:6 16.85 -10.46 C:4 14.39 -10.46 C:9 16.85 -7.61 33 1 -1 35 2 -2 36 3 -1 4 25 2 5 26 2 6 28 2 7 31 1 34 8 -2 9 25 1 9 27 2 10 12 1 10 31 2 11 13 2 11 31 1 12 32 2 13 32 1 14 16 1 14 28 1 15 18 1 15 26 1 16 29 1 17 20 1 17 27 1 18 32 1 19 23 1 19 27 1 36 20 -2 21 24 1 35 21 -1 22 33 1 22 34 1 23 25 1 24 26 1 28 35 1 29 30 2 29 36 1 30 34 1 30 35 1 33 36 1', '36 39 C 19.32 -7.61 C 15.33 -11.51 C 17.97 -6.72 O 19.60 -0.83 O 11.53 -13.49 O 11.98 -10.48 O 13.96 -21.41 O 16.84 -11.86 C 19.21 -3.25 C 14.49 -19.07 C 12.20 -19.76 C 14.09 -17.76 C 11.81 -18.44 C 13.17 -8.31 C 13.30 -15.12 C 14.39 -7.61 C 18.10 -5.46 C 12.36 -16.13 C 16.97 -3.25 C 16.85 -6.18 C 13.45 -11.49 C 18.10 -9.75 O 17.40 -1.94 O 13.84 -12.81 C 18.78 -1.94 C 12.90 -13.81 C 18.10 -4.06 C 13.17 -9.75 C 15.63 -8.31 C 15.63 -9.75 C 13.55 -20.08 C 12.75 -17.44 C 18.10 -8.31 C 16.85 -10.46 C 14.39 -10.46 C 16.85 -7.61 33 1 -1 35 2 -2 36 3 -1 4 25 2 5 26 2 6 28 2 7 31 1 34 8 -2 9 25 1 9 27 2 10 12 1 10 31 2 11 13 2 11 31 1 12 32 2 13 32 1 14 16 1 14 28 1 15 18 1 15 26 1 16 29 1 17 20 1 17 27 1 18 32 1 19 23 1 19 27 1 36 20 -2 21 24 1 35 21 -1 22 33 1 22 34 1 23 25 1 24 26 1 28 35 1 29 30 2 29 36 1 30 34 1 30 35 1 33 36 1', '36 39 C:16 19.32 -7.61 C:24 15.33 -11.51 C:21 17.97 -6.72 O 19.60 -0.83 O 11.53 -13.49 O 11.98 -10.48 O 13.96 -21.41 O 16.84 -11.86 C:115 19.21 -3.25 C:116 14.49 -19.07 C:116 12.20 -19.76 C:129 14.09 -17.76 C:129 11.81 -18.44 C:37 13.17 -8.31 C:37 13.30 -15.12 C:25 14.39 -7.61 C:24 18.10 -5.46 C:30 12.36 -16.13 C:73 16.97 -3.25 C:34 16.85 -6.18 C:66 13.45 -11.49 C:38 18.10 -9.75 O 17.40 -1.94 O 13.84 -12.81 C:174 18.78 -1.94 C:173 12.90 -13.81 C:171 18.10 -4.06 C:213 13.17 -9.75 C:140 15.63 -8.31 C:137 15.63 -9.75 C:155 13.55 -20.08 C:132 12.75 -17.44 C:31 18.10 -8.31 C:69 16.85 -10.46 C:51 14.39 -10.46 C:42 16.85 -7.61 33 1 -1 35 2 -2 36 3 -1 4 25 2 5 26 2 6 28 2 7 31 1 34 8 -2 9 25 1 9 27 2 10 12 1 10 31 2 11 13 2 11 31 1 12 32 2 13 32 1 14 16 1 14 28 1 15 18 1 15 26 1 16 29 1 17 20 1 17 27 1 18 32 1 19 23 1 19 27 1 36 20 -2 21 24 1 35 21 -1 22 33 1 22 34 1 23 25 1 24 26 1 28 35 1 29 30 2 29 36 1 30 34 1 30 35 1 33 36 1', 'C29H36O7', 496.306, 'C', 'np95_209_2', 1777, '', 'Halimanes', '1', 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
(835, 'Amoenolide M ', '', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[CH3:17][C@H:8]3[CH2:7][C@H:6](O)[C:5]1=[C:10]([CH2:1][CH2:2][C:3](=O)[C@:4]1([CH3:18])[CH2:19]O[C:19001](=O)[CH2:19002][CH2:19003][c:19004]2[cH:19005][cH:19006][c:19007](O)[cH:19008][cH:19009]2)[C@:9]3([CH3:20])[CH2:11][CH2:12][C:13]4=[CH:14][C:15](=O)O[CH2:16]4', 'C[C@H]3C[C@H](O)C1=C(CCC(=O)[C@]1(C)COC(=O)CCc2ccc(O)cc2)[C@]3(C)CCC4=CC(=O)OC4', '[CH3:16][C@H:31]3[CH2:39][C@H:69](O)[C:138]1=[C:139]([CH2:25][CH2:37][C:212](=O)[C@:52]1([CH3:24])[CH2:67]O[C:173](=O)[CH2:37][CH2:31][c:131]2[cH:130][cH:116][c:157](O)[cH:116][cH:130]2)[C@:42]3([CH3:21])[CH2:33][CH2:24][C:171]4=[CH:115][C:174](=O)O[CH2:73]4', '36 39 C:17 19.32 -7.61 C:18 15.33 -11.51 C:20 17.97 -6.72 O 19.60 -0.83 O 11.53 -13.49 O 11.98 -10.48 O 13.96 -21.41 O 16.84 -11.86 C:14 19.21 -3.25 C:19008 14.49 -19.07 C:19006 12.20 -19.76 C:19009 14.09 -17.76 C:19005 11.81 -18.44 C:2 13.17 -8.31 C:19002 13.30 -15.12 C:1 14.39 -7.61 C:12 18.10 -5.46 C:19003 12.36 -16.13 C:16 16.97 -3.25 C:11 16.85 -6.18 C:19 13.45 -11.49 C:7 18.10 -9.75 O 17.40 -1.94 O 13.84 -12.81 C:15 18.78 -1.94 C:19001 12.90 -13.81 C:13 18.10 -4.06 C:3 13.17 -9.75 C:10 15.63 -8.31 C:5 15.63 -9.75 C:19007 13.55 -20.08 C:19004 12.75 -17.44 C:8 18.10 -8.31 C:6 16.85 -10.46 C:4 14.39 -10.46 C:9 16.85 -7.61 33 1 -1 35 2 -2 36 3 -1 4 25 2 5 26 2 6 28 2 7 31 1 34 8 -2 9 25 1 9 27 2 10 12 1 10 31 2 11 13 2 11 31 1 12 32 2 13 32 1 14 16 1 14 28 1 15 18 1 15 26 1 16 29 1 17 20 1 17 27 1 18 32 1 19 23 1 19 27 1 36 20 -2 21 24 1 35 21 -1 22 33 1 22 34 1 23 25 1 24 26 1 28 35 1 29 30 2 29 36 1 30 34 1 30 35 1 33 36 1', '36 39 C 19.32 -7.61 C 15.33 -11.51 C 17.97 -6.72 O 19.60 -0.83 O 11.53 -13.49 O 11.98 -10.48 O 13.96 -21.41 O 16.84 -11.86 C 19.21 -3.25 C 14.49 -19.07 C 12.20 -19.76 C 14.09 -17.76 C 11.81 -18.44 C 13.17 -8.31 C 13.30 -15.12 C 14.39 -7.61 C 18.10 -5.46 C 12.36 -16.13 C 16.97 -3.25 C 16.85 -6.18 C 13.45 -11.49 C 18.10 -9.75 O 17.40 -1.94 O 13.84 -12.81 C 18.78 -1.94 C 12.90 -13.81 C 18.10 -4.06 C 13.17 -9.75 C 15.63 -8.31 C 15.63 -9.75 C 13.55 -20.08 C 12.75 -17.44 C 18.10 -8.31 C 16.85 -10.46 C 14.39 -10.46 C 16.85 -7.61 33 1 -1 35 2 -2 36 3 -1 4 25 2 5 26 2 6 28 2 7 31 1 34 8 -2 9 25 1 9 27 2 10 12 1 10 31 2 11 13 2 11 31 1 12 32 2 13 32 1 14 16 1 14 28 1 15 18 1 15 26 1 16 29 1 17 20 1 17 27 1 18 32 1 19 23 1 19 27 1 36 20 -2 21 24 1 35 21 -1 22 33 1 22 34 1 23 25 1 24 26 1 28 35 1 29 30 2 29 36 1 30 34 1 30 35 1 33 36 1', '36 39 C:16 19.32 -7.61 C:24 15.33 -11.51 C:21 17.97 -6.72 O 19.60 -0.83 O 11.53 -13.49 O 11.98 -10.48 O 13.96 -21.41 O 16.84 -11.86 C:115 19.21 -3.25 C:116 14.49 -19.07 C:116 12.20 -19.76 C:130 14.09 -17.76 C:130 11.81 -18.44 C:37 13.17 -8.31 C:37 13.30 -15.12 C:25 14.39 -7.61 C:24 18.10 -5.46 C:31 12.36 -16.13 C:73 16.97 -3.25 C:33 16.85 -6.18 C:67 13.45 -11.49 C:39 18.10 -9.75 O 17.40 -1.94 O 13.84 -12.81 C:174 18.78 -1.94 C:173 12.90 -13.81 C:171 18.10 -4.06 C:212 13.17 -9.75 C:139 15.63 -8.31 C:138 15.63 -9.75 C:157 13.55 -20.08 C:131 12.75 -17.44 C:31 18.10 -8.31 C:69 16.85 -10.46 C:52 14.39 -10.46 C:42 16.85 -7.61 33 1 -1 35 2 -2 36 3 -1 4 25 2 5 26 2 6 28 2 7 31 1 34 8 -2 9 25 1 9 27 2 10 12 1 10 31 2 11 13 2 11 31 1 12 32 2 13 32 1 14 16 1 14 28 1 15 18 1 15 26 1 16 29 1 17 20 1 17 27 1 18 32 1 19 23 1 19 27 1 36 20 -2 21 24 1 35 21 -1 22 33 1 22 34 1 23 25 1 24 26 1 28 35 1 29 30 2 29 36 1 30 34 1 30 35 1 33 36 1', 'C29H36O7', 496.306, 'P', 'np95_209_2b', 1777, '', '', '1', 1, NULL, NULL),
(836, 'Amoenolide M diacetate', '', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[CH3:19702][C:19701](=O)O[c:19007]4[cH:19006][cH:19005][c:19004]([CH2:19003][CH2:19002][C:19001](=O)O[CH2:19][C@@:4]1([CH3:18])[C:3](=O)[CH2:2][CH2:1][C:10]2=[C:5]1[C@@H:6](O[C:6001]([CH3:6002])=O)[CH2:7][C@H:8]([CH3:17])[C@@:9]2([CH3:20])[CH2:11][CH2:12][C:13]3=[CH:14][C:15](=O)O[CH2:16]3)[cH:19009][cH:19008]4', 'CC(=O)Oc4ccc(CCC(=O)OC[C@@]1(C)C(=O)CCC2=C1[C@@H](OC(C)=O)C[C@H](C)[C@@]2(C)CCC3=CC(=O)OC3)cc4', '[CH3:21][C:170](=O)O[c:149]4[cH:122][cH:129][c:138]([CH2:30][CH2:36][C:172](=O)O[CH2:66][C@@:51]1([CH3:23])[C:211](=O)[CH2:37][CH2:25][C:144]2=[C:132]1[C@@H:70](O[C:170]([CH3:22])=O)[CH2:33][C@H:31]([CH3:16])[C@@:42]2([CH3:21])[CH2:34][CH2:24][C:170]3=[CH:116][C:174](=O)O[CH2:73]3)[cH:129][cH:122]4', '42 45 C:19702 16.05 -22.05 C:6002 18.02 -13.38 C:17 19.31 -7.04 C:18 15.33 -10.92 C:20 17.96 -6.16 O 16.06 -19.62 O 19.25 -11.29 O 19.59 -0.27 O 11.51 -12.91 O 11.96 -9.90 C:14 19.20 -2.69 C:19009 14.08 -17.19 C:19005 11.79 -17.87 C:19008 14.48 -18.50 C:19006 12.19 -19.19 C:19002 13.29 -14.53 C:2 13.16 -7.72 C:1 14.38 -7.04 C:12 18.09 -4.90 C:19003 12.35 -15.55 C:16 16.95 -2.69 C:11 16.84 -5.62 C:19 13.44 -10.90 C:7 18.09 -9.17 O 17.38 -1.38 O 13.83 -12.22 O 13.95 -20.84 O 16.83 -11.27 C:19701 15.36 -20.83 C:6001 18.03 -11.98 C:15 18.77 -1.38 C:19001 12.89 -13.23 C:13 18.09 -3.50 C:3 13.16 -9.17 C:10 15.63 -7.72 C:5 15.63 -9.17 C:19004 12.74 -16.87 C:19007 13.54 -19.51 C:8 18.09 -7.72 C:6 16.84 -9.88 C:4 14.38 -9.88 C:9 16.84 -7.04 1 29 1 2 30 1 39 3 -1 41 4 -2 42 5 -1 6 29 2 7 30 2 8 31 2 9 32 2 10 34 2 11 31 1 11 33 2 12 14 1 12 37 2 13 15 2 13 37 1 14 38 2 15 38 1 16 20 1 16 32 1 17 18 1 17 34 1 18 35 1 19 22 1 19 33 1 20 37 1 21 25 1 21 33 1 42 22 -2 23 26 1 41 23 -1 24 39 1 24 40 1 25 31 1 26 32 1 27 29 1 27 38 1 28 30 1 40 28 -2 34 41 1 35 36 2 35 42 1 36 40 1 36 41 1 39 42 1', '42 45 C 16.05 -22.05 C 18.02 -13.38 C 19.31 -7.04 C 15.33 -10.92 C 17.96 -6.16 O 16.06 -19.62 O 19.25 -11.29 O 19.59 -0.27 O 11.51 -12.91 O 11.96 -9.90 C 19.20 -2.69 C 14.08 -17.19 C 11.79 -17.87 C 14.48 -18.50 C 12.19 -19.19 C 13.29 -14.53 C 13.16 -7.72 C 14.38 -7.04 C 18.09 -4.90 C 12.35 -15.55 C 16.95 -2.69 C 16.84 -5.62 C 13.44 -10.90 C 18.09 -9.17 O 17.38 -1.38 O 13.83 -12.22 O 13.95 -20.84 O 16.83 -11.27 C 15.36 -20.83 C 18.03 -11.98 C 18.77 -1.38 C 12.89 -13.23 C 18.09 -3.50 C 13.16 -9.17 C 15.63 -7.72 C 15.63 -9.17 C 12.74 -16.87 C 13.54 -19.51 C 18.09 -7.72 C 16.84 -9.88 C 14.38 -9.88 C 16.84 -7.04 1 29 1 2 30 1 39 3 -1 41 4 -2 42 5 -1 6 29 2 7 30 2 8 31 2 9 32 2 10 34 2 11 31 1 11 33 2 12 14 1 12 37 2 13 15 2 13 37 1 14 38 2 15 38 1 16 20 1 16 32 1 17 18 1 17 34 1 18 35 1 19 22 1 19 33 1 20 37 1 21 25 1 21 33 1 42 22 -2 23 26 1 41 23 -1 24 39 1 24 40 1 25 31 1 26 32 1 27 29 1 27 38 1 28 30 1 40 28 -2 34 41 1 35 36 2 35 42 1 36 40 1 36 41 1 39 42 1', '42 45 C:21 16.05 -22.05 C:22 18.02 -13.38 C:16 19.31 -7.04 C:23 15.33 -10.92 C:21 17.96 -6.16 O 16.06 -19.62 O 19.25 -11.29 O 19.59 -0.27 O 11.51 -12.91 O 11.96 -9.90 C:116 19.20 -2.69 C:129 14.08 -17.19 C:129 11.79 -17.87 C:122 14.48 -18.50 C:122 12.19 -19.19 C:36 13.29 -14.53 C:37 13.16 -7.72 C:25 14.38 -7.04 C:24 18.09 -4.90 C:30 12.35 -15.55 C:73 16.95 -2.69 C:34 16.84 -5.62 C:66 13.44 -10.90 C:33 18.09 -9.17 O 17.38 -1.38 O 13.83 -12.22 O 13.95 -20.84 O 16.83 -11.27 C:170 15.36 -20.83 C:170 18.03 -11.98 C:174 18.77 -1.38 C:172 12.89 -13.23 C:170 18.09 -3.50 C:211 13.16 -9.17 C:144 15.63 -7.72 C:132 15.63 -9.17 C:138 12.74 -16.87 C:149 13.54 -19.51 C:31 18.09 -7.72 C:70 16.84 -9.88 C:51 14.38 -9.88 C:42 16.84 -7.04 1 29 1 2 30 1 39 3 -1 41 4 -2 42 5 -1 6 29 2 7 30 2 8 31 2 9 32 2 10 34 2 11 31 1 11 33 2 12 14 1 12 37 2 13 15 2 13 37 1 14 38 2 15 38 1 16 20 1 16 32 1 17 18 1 17 34 1 18 35 1 19 22 1 19 33 1 20 37 1 21 25 1 21 33 1 42 22 -2 23 26 1 41 23 -1 24 39 1 24 40 1 25 31 1 26 32 1 27 29 1 27 38 1 28 30 1 40 28 -2 34 41 1 35 36 2 35 42 1 36 40 1 36 41 1 39 42 1', 'C33H40O9', 580.348, 'C', 'np95_209_4', 1777, '', 'Halimanes', '1', 1, NULL, NULL),
(843, '', 'Methyl 15-aceloxy-1(1O)-ent-halimadien-18-oate ', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[CH3:18001]O[C:18](=O)[C@@:4]1([CH3:19])[CH2:3][CH2:2][CH:1]=[C:10]2[CH:5]1[CH2:6][CH2:7][C@@H:8]([CH3:17])[C@:9]2([CH3:20])[CH2:11][CH2:12][CH:13]([CH3:16])[CH2:14][CH2:15]O[C:15001]([CH3:15002])=O', 'COC(=O)[C@@]1(C)CCC=C2C1CC[C@@H](C)[C@]2(C)CCC(C)CCOC(C)=O', '[CH3:52]O[C:179](=O)[C@@:45]1([CH3:20])[CH2:31][CH2:23][CH:119]=[C:142]2[CH:38]1[CH2:23][CH2:29][C@@H:39]([CH3:16])[C@:43]2([CH3:23])[CH2:37][CH2:31][CH:31]([CH3:20])[CH2:36][CH2:63]O[C:172]([CH3:21])=O', '27 28 C:18001 13.34 -17.38 C:15002 20.40 -4.88 C:16 14.33 -6.97 C:17 16.77 -11.15 C:19 10.97 -14.98 C:20 15.44 -10.28 O 19.19 -6.97 O 14.21 -14.71 C:1 11.91 -11.15 C:2 10.70 -11.85 C:15 16.77 -5.58 C:14 16.77 -6.97 C:7 15.56 -13.25 C:6 14.33 -13.96 C:12 15.56 -9.03 C:3 10.70 -13.25 C:11 14.33 -9.76 O 12.40 -16.33 O 17.98 -4.88 C:15001 19.19 -5.58 C:18 12.84 -15.00 C:10 13.12 -11.85 C:13 15.56 -7.67 C:8 15.56 -11.85 C:5 13.12 -13.25 C:4 11.91 -13.96 C:9 14.33 -11.15 1 18 1 2 20 1 3 23 1 24 4 -2 26 5 -2 27 6 -2 7 20 2 8 21 2 9 10 1 9 22 2 10 16 1 11 12 1 11 19 1 12 23 1 13 14 1 13 24 1 14 25 1 15 17 1 15 23 1 16 26 1 17 27 1 18 21 1 19 20 1 26 21 -1 22 25 1 22 27 1 24 27 1 25 26 1', '27 28 C 13.34 -17.38 C 20.40 -4.88 C 14.33 -6.97 C 16.77 -11.15 C 10.97 -14.98 C 15.44 -10.28 O 19.19 -6.97 O 14.21 -14.71 C 11.91 -11.15 C 10.70 -11.85 C 16.77 -5.58 C 16.77 -6.97 C 15.56 -13.25 C 14.33 -13.96 C 15.56 -9.03 C 10.70 -13.25 C 14.33 -9.76 O 12.40 -16.33 O 17.98 -4.88 C 19.19 -5.58 C 12.84 -15.00 C 13.12 -11.85 C 15.56 -7.67 C 15.56 -11.85 C 13.12 -13.25 C 11.91 -13.96 C 14.33 -11.15 1 18 1 2 20 1 3 23 1 24 4 -2 26 5 -2 27 6 -2 7 20 2 8 21 2 9 10 1 9 22 2 10 16 1 11 12 1 11 19 1 12 23 1 13 14 1 13 24 1 14 25 1 15 17 1 15 23 1 16 26 1 17 27 1 18 21 1 19 20 1 26 21 -1 22 25 1 22 27 1 24 27 1 25 26 1', '27 28 C:52 13.34 -17.38 C:21 20.40 -4.88 C:20 14.33 -6.97 C:16 16.77 -11.15 C:20 10.97 -14.98 C:23 15.44 -10.28 O 19.19 -6.97 O 14.21 -14.71 C:119 11.91 -11.15 C:23 10.70 -11.85 C:63 16.77 -5.58 C:36 16.77 -6.97 C:29 15.56 -13.25 C:23 14.33 -13.96 C:31 15.56 -9.03 C:31 10.70 -13.25 C:37 14.33 -9.76 O 12.40 -16.33 O 17.98 -4.88 C:172 19.19 -5.58 C:179 12.84 -15.00 C:142 13.12 -11.85 C:31 15.56 -7.67 C:39 15.56 -11.85 C:38 13.12 -13.25 C:45 11.91 -13.96 C:43 14.33 -11.15 1 18 1 2 20 1 3 23 1 24 4 -2 26 5 -2 27 6 -2 7 20 2 8 21 2 9 10 1 9 22 2 10 16 1 11 12 1 11 19 1 12 23 1 13 14 1 13 24 1 14 25 1 15 17 1 15 23 1 16 26 1 17 27 1 18 21 1 19 20 1 26 21 -1 22 25 1 22 27 1 24 27 1 25 26 1', 'C23H38O4', 378.244, 'C', 'ph37_1359_5', 2337, '', 'ent-Halimanes', '1', 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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(877, '', 'Methyl 9-(furan-3-yl)-2,7,13-trimethyl-4-oxo-10-oxatricyclo[5.3.3.01,6]trideca-5,8-diene-2-carboxylate', 'Terpenoids', 'Diterpenoids', 'Halimanes', '[CH3:18001]O[C:18](=O)[C@@:4]3([CH3:19])[CH2:3][C:2](=O)[CH:1]=[C:10]2[C@@:9]4([CH3:20])[CH:11]=[C:12]([c:13]1[cH:14][cH:15]o[cH:16]1)O[C@:5]23[CH2:6][CH2:7][C@H:8]4[CH3:17]', 'COC(=O)[C@@]3(C)CC(=O)C=C2[C@@]4(C)C=C(c1ccoc1)O[C@]23CC[C@H]4C', '[CH3:52]O[C:174](=O)[C@@:51]3([CH3:20])[CH2:46][C:196](=O)[CH:122]=[C:158]2[C@@:41]4([CH3:22])[CH:103]=[C:146]([c:121]1[cH:107][cH:143]o[cH:140]1)O[C@:80]23[CH2:32][CH2:27][C@H:43]4[CH3:14]', '26 29 C:18001 15.76 -16.80 C:17 18.97 -10.78 C:20 17.71 -9.96 C:19 13.47 -14.41 O 12.11 -10.75 O 16.60 -14.08 C:1 14.35 -10.78 C:11 16.66 -9.46 C:15 16.13 -5.54 C:14 16.55 -6.78 C:16 14.45 -6.81 C:7 17.82 -12.77 C:6 16.66 -13.44 C:3 13.21 -12.77 O 14.82 -15.77 O 14.41 -12.18 O 14.86 -5.56 C:2 13.21 -11.42 C:18 15.25 -14.43 C:12 15.53 -8.82 C:10 15.52 -11.42 C:13 15.51 -7.53 C:8 17.82 -11.42 C:9 16.66 -10.78 C:4 14.35 -13.44 C:5 15.52 -12.77 1 15 1 23 2 -2 24 3 -2 25 4 -2 5 18 2 6 19 2 7 18 1 7 21 2 8 20 2 24 8 -1 9 10 2 9 17 1 10 22 1 11 17 1 11 22 2 12 13 1 12 23 1 13 26 1 14 18 1 14 25 1 15 19 1 16 20 1 26 16 -1 25 19 -1 20 22 1 21 24 1 21 26 1 23 24 1 25 26 1', '26 29 C 15.76 -16.80 C 18.97 -10.78 C 17.71 -9.96 C 13.47 -14.41 O 12.11 -10.75 O 16.60 -14.08 C 14.35 -10.78 C 16.66 -9.46 C 16.13 -5.54 C 16.55 -6.78 C 14.45 -6.81 C 17.82 -12.77 C 16.66 -13.44 C 13.21 -12.77 O 14.82 -15.77 O 14.41 -12.18 O 14.86 -5.56 C 13.21 -11.42 C 15.25 -14.43 C 15.53 -8.82 C 15.52 -11.42 C 15.51 -7.53 C 17.82 -11.42 C 16.66 -10.78 C 14.35 -13.44 C 15.52 -12.77 1 15 1 23 2 -2 24 3 -2 25 4 -2 5 18 2 6 19 2 7 18 1 7 21 2 8 20 2 24 8 -1 9 10 2 9 17 1 10 22 1 11 17 1 11 22 2 12 13 1 12 23 1 13 26 1 14 18 1 14 25 1 15 19 1 16 20 1 26 16 -1 25 19 -1 20 22 1 21 24 1 21 26 1 23 24 1 25 26 1', '26 29 C:52 15.76 -16.80 C:14 18.97 -10.78 C:22 17.71 -9.96 C:20 13.47 -14.41 O 12.11 -10.75 O 16.60 -14.08 C:122 14.35 -10.78 C:103 16.66 -9.46 C:143 16.13 -5.54 C:107 16.55 -6.78 C:140 14.45 -6.81 C:27 17.82 -12.77 C:32 16.66 -13.44 C:46 13.21 -12.77 O 14.82 -15.77 O 14.41 -12.18 O 14.86 -5.56 C:196 13.21 -11.42 C:174 15.25 -14.43 C:146 15.53 -8.82 C:158 15.52 -11.42 C:121 15.51 -7.53 C:43 17.82 -11.42 C:41 16.66 -10.78 C:51 14.35 -13.44 C:80 15.52 -12.77 1 15 1 23 2 -2 24 3 -2 25 4 -2 5 18 2 6 19 2 7 18 1 7 21 2 8 20 2 24 8 -1 9 10 2 9 17 1 10 22 1 11 17 1 11 22 2 12 13 1 12 23 1 13 26 1 14 18 1 14 25 1 15 19 1 16 20 1 26 16 -1 25 19 -1 20 22 1 21 24 1 21 26 1 23 24 1 25 26 1', 'C21H24O5', 356.222, 'C', 'np05_7_4', 1082, '', 'ent-Halimanes', '1', 1, NULL, NULL),
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