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
(11547, '', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][CH2:12][C@H:13]2[CH2:14][C@:8]1([CH2:15][C:16]2=O)[C@@H:7](O)[CH2:6][C@:5]4([H])[C@@:4]([CH3:19])([CH2:18]O[C:18001]([CH3:18002])=O)[C@H:3](O)[CH2:2][CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13CC[C@H]2C[C@]1(CC2=O)[C@@H](O)C[C@]4([H])[C@@](C)(COC(C)=O)[C@H](O)CC[C@@]34C', '[H][C@@:49]13[CH2:18][CH2:30][C@H:47]2[CH2:36][C@:46]1([CH2:51][C:222]2=O)[C@@H:76](O)[CH2:26][C@:38]4([H])[C@@:42]([CH3:12])([CH2:66]O[C:172]([CH3:21])=O)[C@H:72](O)[CH2:26][CH2:38][C@@:39]34[CH3:18]', '28 31 H 16.08 -8.85 H 14.86 -10.98 C:18002 14.72 -15.45 C:19 12.60 -11.65 C:20 14.86 -7.17 O 16.49 -13.82 O 21.06 -7.17 O 11.18 -10.65 O 18.54 -10.65 C:2 12.40 -8.57 C:12 17.30 -5.74 C:11 16.08 -6.45 C:1 13.61 -7.86 C:18 14.58 -11.74 C:15 18.88 -8.85 C:6 16.08 -10.65 C:14 18.54 -7.86 O 14.17 -13.09 C:18001 15.13 -14.12 C:16 19.68 -7.45 C:3 12.40 -9.97 C:7 17.30 -9.97 C:13 18.54 -6.45 C:9 16.08 -7.86 C:5 14.86 -9.97 C:4 13.61 -10.65 C:10 14.86 -8.57 C:8 17.30 -8.57 24 1 -1 25 2 -1 3 19 1 26 4 -2 27 5 -2 6 19 2 7 20 2 21 8 -2 22 9 -1 10 13 1 10 21 1 11 12 1 11 23 1 12 24 1 13 27 1 14 18 1 26 14 -1 15 20 1 15 28 1 16 22 1 16 25 1 23 17 -2 28 17 -2 18 19 1 20 23 1 21 26 1 22 28 1 24 27 1 24 28 1 25 26 1 25 27 1', '28 31 H 16.08 -8.85 H 14.86 -10.98 C 14.72 -15.45 C 12.60 -11.65 C 14.86 -7.17 O 16.49 -13.82 O 21.06 -7.17 O 11.18 -10.65 O 18.54 -10.65 C 12.40 -8.57 C 17.30 -5.74 C 16.08 -6.45 C 13.61 -7.86 C 14.58 -11.74 C 18.88 -8.85 C 16.08 -10.65 C 18.54 -7.86 O 14.17 -13.09 C 15.13 -14.12 C 19.68 -7.45 C 12.40 -9.97 C 17.30 -9.97 C 18.54 -6.45 C 16.08 -7.86 C 14.86 -9.97 C 13.61 -10.65 C 14.86 -8.57 C 17.30 -8.57 24 1 -1 25 2 -1 3 19 1 26 4 -2 27 5 -2 6 19 2 7 20 2 21 8 -2 22 9 -1 10 13 1 10 21 1 11 12 1 11 23 1 12 24 1 13 27 1 14 18 1 26 14 -1 15 20 1 15 28 1 16 22 1 16 25 1 23 17 -2 28 17 -2 18 19 1 20 23 1 21 26 1 22 28 1 24 27 1 24 28 1 25 26 1 25 27 1', '28 31 H 16.08 -8.85 H 14.86 -10.98 C:21 14.72 -15.45 C:12 12.60 -11.65 C:18 14.86 -7.17 O 16.49 -13.82 O 21.06 -7.17 O 11.18 -10.65 O 18.54 -10.65 C:26 12.40 -8.57 C:30 17.30 -5.74 C:18 16.08 -6.45 C:38 13.61 -7.86 C:66 14.58 -11.74 C:51 18.88 -8.85 C:26 16.08 -10.65 C:36 18.54 -7.86 O 14.17 -13.09 C:172 15.13 -14.12 C:222 19.68 -7.45 C:72 12.40 -9.97 C:76 17.30 -9.97 C:47 18.54 -6.45 C:49 16.08 -7.86 C:38 14.86 -9.97 C:42 13.61 -10.65 C:39 14.86 -8.57 C:46 17.30 -8.57 24 1 -1 25 2 -1 3 19 1 26 4 -2 27 5 -2 6 19 2 7 20 2 21 8 -2 22 9 -1 10 13 1 10 21 1 11 12 1 11 23 1 12 24 1 13 27 1 14 18 1 26 14 -1 15 20 1 15 28 1 16 22 1 16 25 1 23 17 -2 28 17 -2 18 19 1 20 23 1 21 26 1 22 28 1 24 27 1 24 28 1 25 26 1 25 27 1', 'C21H32O5', 364.238, 'C', 'ph_58_463_8', 2992, '', '', '1', 1, NULL, NULL),
(11548, '', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]14[CH2:11][CH2:12][C@H:13]2[CH2:14][C@:8]1([CH2:15][C:16]23O[CH2:17]OO3)[C@@H:7](O)[CH2:6][C@:5]5([H])[C@@:4]([CH3:19])([CH2:18]O[C:18001]([CH3:18002])=O)[C@H:3](O)[CH2:2][CH2:1][C@@:10]45[CH3:20]', '[H][C@@]14CC[C@H]2C[C@]1(CC23OCOO3)[C@@H](O)C[C@]5([H])[C@@](C)(COC(C)=O)[C@H](O)CC[C@@]45C', '[H][C@@:50]14[CH2:17][CH2:26][C@H:43]2[CH2:36][C@:47]1([CH2:47][C:116]23O[CH2:93]OO3)[C@@H:76](O)[CH2:27][C@:38]5([H])[C@@:41]([CH3:12])([CH2:66]O[C:172]([CH3:21])=O)[C@H:72](O)[CH2:26][CH2:38][C@@:39]45[CH3:18]', '31 35 H 15.64 -8.85 H 14.42 -10.99 C:18002 14.28 -15.46 C:19 12.16 -11.66 C:20 14.42 -7.17 O 16.05 -13.83 O 10.74 -10.66 O 18.10 -10.66 C:17 21.21 -6.33 C:2 11.96 -8.57 C:12 16.86 -5.74 C:11 15.64 -6.45 C:1 13.17 -7.86 C:18 14.14 -11.75 C:6 15.64 -10.66 C:14 18.10 -7.86 C:15 18.44 -8.85 O 21.49 -7.70 O 13.73 -13.10 O 19.82 -6.18 O 20.28 -8.39 C:18001 14.69 -14.13 C:3 11.96 -9.98 C:7 16.86 -9.98 C:13 18.10 -6.45 C:9 15.64 -7.86 C:5 14.42 -9.98 C:4 13.17 -10.66 C:10 14.42 -8.57 C:16 19.24 -7.45 C:8 16.86 -8.57 26 1 -1 27 2 -1 3 22 1 28 4 -2 29 5 -2 6 22 2 23 7 -2 24 8 -1 9 18 1 9 20 1 10 13 1 10 23 1 11 12 1 11 25 1 12 26 1 13 29 1 14 19 1 28 14 -1 15 24 1 15 27 1 25 16 -2 31 16 -2 17 30 1 17 31 1 18 21 1 19 22 1 20 30 1 21 30 1 23 28 1 24 31 1 25 30 1 26 29 1 26 31 1 27 28 1 27 29 1', '31 35 H 15.64 -8.85 H 14.42 -10.99 C 14.28 -15.46 C 12.16 -11.66 C 14.42 -7.17 O 16.05 -13.83 O 10.74 -10.66 O 18.10 -10.66 C 21.21 -6.33 C 11.96 -8.57 C 16.86 -5.74 C 15.64 -6.45 C 13.17 -7.86 C 14.14 -11.75 C 15.64 -10.66 C 18.10 -7.86 C 18.44 -8.85 O 21.49 -7.70 O 13.73 -13.10 O 19.82 -6.18 O 20.28 -8.39 C 14.69 -14.13 C 11.96 -9.98 C 16.86 -9.98 C 18.10 -6.45 C 15.64 -7.86 C 14.42 -9.98 C 13.17 -10.66 C 14.42 -8.57 C 19.24 -7.45 C 16.86 -8.57 26 1 -1 27 2 -1 3 22 1 28 4 -2 29 5 -2 6 22 2 23 7 -2 24 8 -1 9 18 1 9 20 1 10 13 1 10 23 1 11 12 1 11 25 1 12 26 1 13 29 1 14 19 1 28 14 -1 15 24 1 15 27 1 25 16 -2 31 16 -2 17 30 1 17 31 1 18 21 1 19 22 1 20 30 1 21 30 1 23 28 1 24 31 1 25 30 1 26 29 1 26 31 1 27 28 1 27 29 1', '31 35 H 15.64 -8.85 H 14.42 -10.99 C:21 14.28 -15.46 C:12 12.16 -11.66 C:18 14.42 -7.17 O 16.05 -13.83 O 10.74 -10.66 O 18.10 -10.66 C:93 21.21 -6.33 C:26 11.96 -8.57 C:26 16.86 -5.74 C:17 15.64 -6.45 C:38 13.17 -7.86 C:66 14.14 -11.75 C:27 15.64 -10.66 C:36 18.10 -7.86 C:47 18.44 -8.85 O 21.49 -7.70 O 13.73 -13.10 O 19.82 -6.18 O 20.28 -8.39 C:172 14.69 -14.13 C:72 11.96 -9.98 C:76 16.86 -9.98 C:43 18.10 -6.45 C:50 15.64 -7.86 C:38 14.42 -9.98 C:41 13.17 -10.66 C:39 14.42 -8.57 C:116 19.24 -7.45 C:47 16.86 -8.57 26 1 -1 27 2 -1 3 22 1 28 4 -2 29 5 -2 6 22 2 23 7 -2 24 8 -1 9 18 1 9 20 1 10 13 1 10 23 1 11 12 1 11 25 1 12 26 1 13 29 1 14 19 1 28 14 -1 15 24 1 15 27 1 25 16 -2 31 16 -2 17 30 1 17 31 1 18 21 1 19 22 1 20 30 1 21 30 1 23 28 1 24 31 1 25 30 1 26 29 1 26 31 1 27 28 1 27 29 1', 'C22H34O7', 410.247, 'C', 'ph_58_463_9', 2992, '', '', '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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(11576, '', '', 'Aromatics', 'Naphthalenes', 'Naphthoquinones', '[CH3:8001][c:8]2[cH:7][cH:6][cH:5][c:10]3[c:4](=O)[c:3]1[CH2:3001][C:3002]([CH3:3003])([CH3:3004])O[c:2]1[c:1](=O)[c:9]23', 'Cc2cccc3c(=O)c1CC(C)(C)Oc1c(=O)c23', '[CH3:9999][c:142]2[cH:137][cH:133][cH:125][c:129]3[c:180](=O)[c:122]1[CH2:40][C:92]([CH3:30])([CH3:30])O[c:160]1[c:183](=O)[c:135]23', '18 20 C:8001 13.40 -7.80 C:3003 20.15 -11.59 C:3004 20.15 -9.61 O 15.78 -13.38 O 15.78 -7.80 C:6 12.14 -11.30 C:7 12.14 -9.90 C:5 13.40 -11.99 C:3001 18.33 -11.74 O 18.33 -9.47 C:8 13.40 -9.21 C:3 16.99 -11.30 C:2 16.99 -9.90 C:4 15.78 -11.99 C:1 15.78 -9.21 C:10 14.58 -11.30 C:9 14.58 -9.90 C:3002 19.15 -10.60 1 11 1 2 18 1 3 18 1 4 14 2 5 15 2 6 7 1 6 8 2 7 11 2 8 16 1 9 12 1 9 18 1 10 13 1 10 18 1 11 17 1 12 13 2 12 14 1 13 15 1 14 16 1 15 17 1 16 17 2', '18 20 C 13.40 -7.80 C 20.15 -11.59 C 20.15 -9.61 O 15.78 -13.38 O 15.78 -7.80 C 12.14 -11.30 C 12.14 -9.90 C 13.40 -11.99 C 18.33 -11.74 O 18.33 -9.47 C 13.40 -9.21 C 16.99 -11.30 C 16.99 -9.90 C 15.78 -11.99 C 15.78 -9.21 C 14.58 -11.30 C 14.58 -9.90 C 19.15 -10.60 1 11 1 2 18 1 3 18 1 4 14 2 5 15 2 6 7 1 6 8 2 7 11 2 8 16 1 9 12 1 9 18 1 10 13 1 10 18 1 11 17 1 12 13 2 12 14 1 13 15 1 14 16 1 15 17 1 16 17 2', '18 20 C 13.40 -7.80 C:30 20.15 -11.59 C:30 20.15 -9.61 O 15.78 -13.38 O 15.78 -7.80 C:133 12.14 -11.30 C:137 12.14 -9.90 C:125 13.40 -11.99 C:40 18.33 -11.74 O 18.33 -9.47 C:142 13.40 -9.21 C:122 16.99 -11.30 C:160 16.99 -9.90 C:180 15.78 -11.99 C:183 15.78 -9.21 C:129 14.58 -11.30 C:135 14.58 -9.90 C:92 19.15 -10.60 1 11 1 2 18 1 3 18 1 4 14 2 5 15 2 6 7 1 6 8 2 7 11 2 8 16 1 9 12 1 9 18 1 10 13 1 10 18 1 11 17 1 12 13 2 12 14 1 13 15 1 14 16 1 15 17 1 16 17 2', 'C15H14O3', 242.159, 'C', 'mrc08_191_4', 2995, '', '', '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
(11577, '', '', 'Aromatics', 'Anthraquinones', 'Azaanthraquinones', 'O=[c:10]2[c:10001]1[cH:5][cH:6][cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]3n[cH:2][cH:3][cH:4][c:4001]23', 'O=c2c1ccccc1c(=O)c3ncccc23', 'O=[c:183]2[c:133]1[cH:127][cH:135][cH:135][cH:128][c:134]1[c:182](=O)[c:9999]3n[cH:155][cH:128][cH:136][c:131]23', '16 18 O 16.08 -13.39 O 16.08 -7.80 C:6 12.46 -11.30 C:7 12.46 -9.90 C:3 19.74 -11.30 C:2 19.74 -9.90 C:5 13.65 -12.00 C:8 13.65 -9.20 C:4 18.53 -12.00 N 18.53 -9.20 C:10 16.08 -12.00 C:9 16.08 -9.20 C:10001 14.84 -11.30 C:8001 14.84 -9.90 C:4001 17.32 -11.30 C:9001 17.32 -9.90 1 11 2 2 12 2 3 4 1 3 7 2 4 8 2 5 6 1 5 9 2 6 10 2 7 13 1 8 14 1 9 15 1 10 16 1 11 13 1 11 15 1 12 14 1 12 16 1 13 14 2 15 16 2', '16 18 O 16.08 -13.39 O 16.08 -7.80 C 12.46 -11.30 C 12.46 -9.90 C 19.74 -11.30 C 19.74 -9.90 C 13.65 -12.00 C 13.65 -9.20 C 18.53 -12.00 N 18.53 -9.20 C 16.08 -12.00 C 16.08 -9.20 C 14.84 -11.30 C 14.84 -9.90 C 17.32 -11.30 C 17.32 -9.90 1 11 2 2 12 2 3 4 1 3 7 2 4 8 2 5 6 1 5 9 2 6 10 2 7 13 1 8 14 1 9 15 1 10 16 1 11 13 1 11 15 1 12 14 1 12 16 1 13 14 2 15 16 2', '16 18 O 16.08 -13.39 O 16.08 -7.80 C:135 12.46 -11.30 C:135 12.46 -9.90 C:128 19.74 -11.30 C:155 19.74 -9.90 C:127 13.65 -12.00 C:128 13.65 -9.20 C:136 18.53 -12.00 N 18.53 -9.20 C:183 16.08 -12.00 C:182 16.08 -9.20 C:133 14.84 -11.30 C:134 14.84 -9.90 C:131 17.32 -11.30 C 17.32 -9.90 1 11 2 2 12 2 3 4 1 3 7 2 4 8 2 5 6 1 5 9 2 6 10 2 7 13 1 8 14 1 9 15 1 10 16 1 11 13 1 11 15 1 12 14 1 12 16 1 13 14 2 15 16 2', 'C13H7NO2', 209.145, 'C', 'mrc08_191_6', 2995, '', '', '1', 1, NULL, NULL),
(11578, '', '', 'Aromatics', 'Anthraquinones', 'Azaanthraquinones', '[CH3:5001][c:5]2[cH:6][cH:7][cH:8][c:8001]3[c:9](=O)[c:9001]1n[cH:2][cH:3][cH:4][c:4001]1[c:10](=O)[c:10001]23', 'Cc2cccc3c(=O)c1ncccc1c(=O)c23', '[CH3:9999][c:142]2[cH:139][cH:134][cH:127][c:135]3[c:182](=O)[c:9999]1n[cH:155][cH:128][cH:135][c:132]1[c:184](=O)[c:131]23', '17 19 C:5001 13.67 -13.39 O 16.10 -7.80 O 16.10 -13.39 C:3 19.78 -11.30 C:7 12.51 -9.90 C:2 19.78 -9.90 C:6 12.51 -11.30 C:4 18.57 -12.00 C:8 13.67 -9.20 N 18.57 -9.20 C:5 13.67 -12.00 C:9 16.10 -9.20 C:10 16.10 -12.00 C:4001 17.34 -11.30 C:8001 14.86 -9.90 C:9001 17.34 -9.90 C:10001 14.86 -11.30 1 11 1 2 12 2 3 13 2 4 6 1 4 8 2 5 7 1 5 9 2 6 10 2 7 11 2 8 14 1 9 15 1 10 16 1 11 17 1 12 15 1 12 16 1 13 14 1 13 17 1 14 16 2 15 17 2', '17 19 C 13.67 -13.39 O 16.10 -7.80 O 16.10 -13.39 C 19.78 -11.30 C 12.51 -9.90 C 19.78 -9.90 C 12.51 -11.30 C 18.57 -12.00 C 13.67 -9.20 N 18.57 -9.20 C 13.67 -12.00 C 16.10 -9.20 C 16.10 -12.00 C 17.34 -11.30 C 14.86 -9.90 C 17.34 -9.90 C 14.86 -11.30 1 11 1 2 12 2 3 13 2 4 6 1 4 8 2 5 7 1 5 9 2 6 10 2 7 11 2 8 14 1 9 15 1 10 16 1 11 17 1 12 15 1 12 16 1 13 14 1 13 17 1 14 16 2 15 17 2', '17 19 C 13.67 -13.39 O 16.10 -7.80 O 16.10 -13.39 C:128 19.78 -11.30 C:134 12.51 -9.90 C:155 19.78 -9.90 C:139 12.51 -11.30 C:135 18.57 -12.00 C:127 13.67 -9.20 N 18.57 -9.20 C:142 13.67 -12.00 C:182 16.10 -9.20 C:184 16.10 -12.00 C:132 17.34 -11.30 C:135 14.86 -9.90 C 17.34 -9.90 C:131 14.86 -11.30 1 11 1 2 12 2 3 13 2 4 6 1 4 8 2 5 7 1 5 9 2 6 10 2 7 11 2 8 14 1 9 15 1 10 16 1 11 17 1 12 15 1 12 16 1 13 14 1 13 17 1 14 16 2 15 17 2', 'C14H9NO2', 223.155, 'C', 'mrc08_191_7', 2995, '', '', '1', 1, NULL, NULL),
(11579, '', '', 'Aromatics', 'Anthraquinones', 'Azaanthraquinones', '[CH3:101][c:8]2[cH:7][cH:6][cH:5][c:10001]3[c:10](=O)[c:4001]1[cH:4][cH:3][cH:2]n[c:9001]1[c:9](=O)[c:8001]23', 'Cc2cccc3c(=O)c1cccnc1c(=O)c23', '[CH3:9999][c:143]2[cH:139][cH:140][cH:126][c:133]3[c:183](=O)[c:128]1[cH:135][cH:128][cH:155]n[c:9999]1[c:183](=O)[c:128]23', '17 19 C:101 13.68 -7.80 O 16.11 -13.40 O 16.11 -7.80 C:3 19.79 -11.31 C:6 12.52 -11.31 C:2 19.79 -9.91 C:7 12.52 -9.91 C:4 18.58 -12.01 C:5 13.68 -12.01 N 18.58 -9.21 C:8 13.68 -9.21 C:10 16.11 -12.01 C:9 16.11 -9.21 C:4001 17.35 -11.31 C:10001 14.87 -11.31 C:9001 17.35 -9.91 C:8001 14.87 -9.91 1 11 1 2 12 2 3 13 2 4 6 1 4 8 2 5 7 1 5 9 2 6 10 2 7 11 2 8 14 1 9 15 1 10 16 1 11 17 1 12 14 1 12 15 1 13 16 1 13 17 1 14 16 2 15 17 2', '17 19 C 13.68 -7.80 O 16.11 -13.40 O 16.11 -7.80 C 19.79 -11.31 C 12.52 -11.31 C 19.79 -9.91 C 12.52 -9.91 C 18.58 -12.01 C 13.68 -12.01 N 18.58 -9.21 C 13.68 -9.21 C 16.11 -12.01 C 16.11 -9.21 C 17.35 -11.31 C 14.87 -11.31 C 17.35 -9.91 C 14.87 -9.91 1 11 1 2 12 2 3 13 2 4 6 1 4 8 2 5 7 1 5 9 2 6 10 2 7 11 2 8 14 1 9 15 1 10 16 1 11 17 1 12 14 1 12 15 1 13 16 1 13 17 1 14 16 2 15 17 2', '17 19 C 13.68 -7.80 O 16.11 -13.40 O 16.11 -7.80 C:128 19.79 -11.31 C:140 12.52 -11.31 C:155 19.79 -9.91 C:139 12.52 -9.91 C:135 18.58 -12.01 C:126 13.68 -12.01 N 18.58 -9.21 C:143 13.68 -9.21 C:183 16.11 -12.01 C:183 16.11 -9.21 C:128 17.35 -11.31 C:133 14.87 -11.31 C 17.35 -9.91 C:128 14.87 -9.91 1 11 1 2 12 2 3 13 2 4 6 1 4 8 2 5 7 1 5 9 2 6 10 2 7 11 2 8 14 1 9 15 1 10 16 1 11 17 1 12 14 1 12 15 1 13 16 1 13 17 1 14 16 2 15 17 2', 'C14H9NO2', 223.155, 'C', 'mrc08_191_8', 2995, '', '', '1', 1, NULL, NULL),
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(11596, '', '1,8-Dihydroxy-3-(E)-3-hydroxymethilbut-2-enyloxy)-6-methylxanthone', 'Aromatics', 'Xanthones', '', '[CH3:3005][C:3003](=[CH:3002][CH2:3001]O[c:3]3[cH:2][c:1](O)[c:9001]2[c:9](=O)[c:8001]1[c:8](O)[cH:7][c:6]([CH3:6001])[cH:5][c:10001]1o[c:4001]2[cH:4]3)[CH2:3004]O', 'CC(=CCOc3cc(O)c2c(=O)c1c(O)cc(C)cc1oc2c3)CO', '[CH3:15][C:140](=[CH:122][CH2:66]O[c:142]3[cH:116][c:167](O)[c:105]2[c:183](=O)[c:104]1[c:167](O)[cH:101][c:168]([CH3:23])[cH:99][c:153]1o[c:155]2[cH:107]3)[CH2:69]O', '25 27 C:3005 21.59 -10.59 C:6001 8.27 -12.69 O 13.10 -8.47 O 23.98 -11.98 O 10.69 -8.47 O 15.54 -8.47 C:3002 20.38 -12.69 C:7 9.50 -10.59 C:2 16.74 -10.59 C:5 10.69 -12.69 C:4 15.54 -12.69 C:3004 22.77 -12.69 C:3001 19.17 -11.98 O 17.95 -12.69 O 13.10 -12.69 C:3003 21.59 -11.98 C:6 9.50 -11.98 C:8 10.69 -9.88 C:1 15.54 -9.88 C:3 16.74 -11.98 C:9 13.10 -9.88 C:10001 11.86 -11.98 C:4001 14.34 -11.98 C:8001 11.86 -10.59 C:9001 14.34 -10.59 1 16 1 2 17 1 3 21 2 4 12 1 5 18 1 6 19 1 7 13 1 7 16 2 8 17 1 8 18 2 9 19 2 9 20 1 10 17 2 10 22 1 11 20 2 11 23 1 12 16 1 13 14 1 14 20 1 15 22 1 15 23 1 18 24 1 19 25 1 21 24 1 21 25 1 22 24 2 23 25 2', '25 27 C 21.59 -10.59 C 8.27 -12.69 O 13.10 -8.47 O 23.98 -11.98 O 10.69 -8.47 O 15.54 -8.47 C 20.38 -12.69 C 9.50 -10.59 C 16.74 -10.59 C 10.69 -12.69 C 15.54 -12.69 C 22.77 -12.69 C 19.17 -11.98 O 17.95 -12.69 O 13.10 -12.69 C 21.59 -11.98 C 9.50 -11.98 C 10.69 -9.88 C 15.54 -9.88 C 16.74 -11.98 C 13.10 -9.88 C 11.86 -11.98 C 14.34 -11.98 C 11.86 -10.59 C 14.34 -10.59 1 16 1 2 17 1 3 21 2 4 12 1 5 18 1 6 19 1 7 13 1 7 16 2 8 17 1 8 18 2 9 19 2 9 20 1 10 17 2 10 22 1 11 20 2 11 23 1 12 16 1 13 14 1 14 20 1 15 22 1 15 23 1 18 24 1 19 25 1 21 24 1 21 25 1 22 24 2 23 25 2', '25 27 C:15 21.59 -10.59 C:23 8.27 -12.69 O 13.10 -8.47 O 23.98 -11.98 O 10.69 -8.47 O 15.54 -8.47 C:122 20.38 -12.69 C:101 9.50 -10.59 C:116 16.74 -10.59 C:99 10.69 -12.69 C:107 15.54 -12.69 C:69 22.77 -12.69 C:66 19.17 -11.98 O 17.95 -12.69 O 13.10 -12.69 C:140 21.59 -11.98 C:168 9.50 -11.98 C:167 10.69 -9.88 C:167 15.54 -9.88 C:142 16.74 -11.98 C:183 13.10 -9.88 C:153 11.86 -11.98 C:155 14.34 -11.98 C:104 11.86 -10.59 C:105 14.34 -10.59 1 16 1 2 17 1 3 21 2 4 12 1 5 18 1 6 19 1 7 13 1 7 16 2 8 17 1 8 18 2 9 19 2 9 20 1 10 17 2 10 22 1 11 20 2 11 23 1 12 16 1 13 14 1 14 20 1 15 22 1 15 23 1 18 24 1 19 25 1 21 24 1 21 25 1 22 24 2 23 25 2', 'C19H18O6', 342.2, 'C', 'np00_16_9', 2998, '', '', '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
(11597, '', '1,8-Dihydroxy-3-(3-hydroxymethil-4-hydroxybut-2-enyloxy)-6-methilxanthone', 'Aromatics', 'Xanthones', '', '[CH3:6001][c:6]3[cH:7][c:8](O)[c:8001]2[c:9](=O)[c:9001]1[c:1](O)[cH:2][c:3](O[CH2:3001][CH:3002]=[C:3003]([CH2:3004]O)[CH2:3005]O)[cH:4][c:4001]1o[c:10001]2[cH:5]3', 'Cc3cc(O)c2c(=O)c1c(O)cc(OCC=C(CO)CO)cc1oc2c3', '[CH3:23][c:167]3[cH:101][c:168](O)[c:104]2[c:182](=O)[c:105]1[c:166](O)[cH:116][c:142](O[CH2:66][CH:122]=[C:142]([CH2:66]O)[CH2:60]O)[cH:107][c:155]1o[c:153]2[cH:100]3', '26 28 C:6001 8.28 -12.70 O 13.11 -8.48 O 24.00 -11.99 O 22.79 -9.89 O 10.70 -8.48 O 15.54 -8.48 C:3002 20.38 -12.70 C:7 9.51 -10.60 C:2 16.74 -10.60 C:5 10.70 -12.70 C:4 15.54 -12.70 C:3004 22.79 -12.70 C:3005 21.59 -10.60 C:3001 19.17 -11.99 O 17.95 -12.70 O 13.11 -12.70 C:3003 21.59 -11.99 C:6 9.51 -11.99 C:8 10.70 -9.89 C:1 15.54 -9.89 C:3 16.74 -11.99 C:9 13.11 -9.89 C:10001 11.87 -11.99 C:4001 14.35 -11.99 C:8001 11.87 -10.60 C:9001 14.35 -10.60 1 18 1 2 22 2 3 12 1 4 13 1 5 19 1 6 20 1 7 14 1 7 17 2 8 18 1 8 19 2 9 20 2 9 21 1 10 18 2 10 23 1 11 21 2 11 24 1 12 17 1 13 17 1 14 15 1 15 21 1 16 23 1 16 24 1 19 25 1 20 26 1 22 25 1 22 26 1 23 25 2 24 26 2', '26 28 C 8.28 -12.70 O 13.11 -8.48 O 24.00 -11.99 O 22.79 -9.89 O 10.70 -8.48 O 15.54 -8.48 C 20.38 -12.70 C 9.51 -10.60 C 16.74 -10.60 C 10.70 -12.70 C 15.54 -12.70 C 22.79 -12.70 C 21.59 -10.60 C 19.17 -11.99 O 17.95 -12.70 O 13.11 -12.70 C 21.59 -11.99 C 9.51 -11.99 C 10.70 -9.89 C 15.54 -9.89 C 16.74 -11.99 C 13.11 -9.89 C 11.87 -11.99 C 14.35 -11.99 C 11.87 -10.60 C 14.35 -10.60 1 18 1 2 22 2 3 12 1 4 13 1 5 19 1 6 20 1 7 14 1 7 17 2 8 18 1 8 19 2 9 20 2 9 21 1 10 18 2 10 23 1 11 21 2 11 24 1 12 17 1 13 17 1 14 15 1 15 21 1 16 23 1 16 24 1 19 25 1 20 26 1 22 25 1 22 26 1 23 25 2 24 26 2', '26 28 C:23 8.28 -12.70 O 13.11 -8.48 O 24.00 -11.99 O 22.79 -9.89 O 10.70 -8.48 O 15.54 -8.48 C:122 20.38 -12.70 C:101 9.51 -10.60 C:116 16.74 -10.60 C:100 10.70 -12.70 C:107 15.54 -12.70 C:66 22.79 -12.70 C:60 21.59 -10.60 C:66 19.17 -11.99 O 17.95 -12.70 O 13.11 -12.70 C:142 21.59 -11.99 C:167 9.51 -11.99 C:168 10.70 -9.89 C:166 15.54 -9.89 C:142 16.74 -11.99 C:182 13.11 -9.89 C:153 11.87 -11.99 C:155 14.35 -11.99 C:104 11.87 -10.60 C:105 14.35 -10.60 1 18 1 2 22 2 3 12 1 4 13 1 5 19 1 6 20 1 7 14 1 7 17 2 8 18 1 8 19 2 9 20 2 9 21 1 10 18 2 10 23 1 11 21 2 11 24 1 12 17 1 13 17 1 14 15 1 15 21 1 16 23 1 16 24 1 19 25 1 20 26 1 22 25 1 22 26 1 23 25 2 24 26 2', 'C19H18O7', 358.199, 'C', 'np00_16_10', 2998, '', '', '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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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
(11628, 'Altersolanol L', '', 'Aromatics', 'Anthraquinones', 'Anthraquinones', '[H][C@:4001]13[CH2:4][C@@H:3](O)[C@@:2]([CH3:11])(O)[C@H:1](O)[C@:9001]1([H])[C@@H:9](O)[c:8001]2[cH:8][c:7](O[CH3:7001])[cH:6][c:5](O)[c:10001]2[C:10]3=O', '[H][C@]13C[C@@H](O)[C@@](C)(O)[C@H](O)[C@]1([H])[C@@H](O)c2cc(OC)cc(O)c2C3=O', '[H][C@:42]13[CH2:30][C@@H:70](O)[C@@:72]([CH3:24])(O)[C@H:72](O)[C@:46]1([H])[C@@H:66](O)[c:152]2[cH:104][c:166](O[CH3:56])[cH:99][c:164](O)[c:109]2[C:204]3=O', '25 27 H 17.19 -12.43 H 17.19 -8.84 C:7001 11.00 -7.74 C:11 20.42 -8.91 O 15.91 -13.41 O 13.42 -13.41 O 20.87 -12.01 O 15.91 -7.74 O 18.42 -7.74 O 21.21 -10.43 C:6 12.20 -11.30 C:8 13.42 -9.14 C:4 18.42 -12.01 O 11.00 -9.14 C:10 15.91 -12.01 C:5 13.42 -12.01 C:7 12.20 -9.86 C:8001 14.64 -9.86 C:10001 14.64 -11.30 C:3 19.66 -11.30 C:9 15.91 -9.14 C:1 18.42 -9.14 C:4001 17.19 -11.30 C:2 19.66 -9.86 C:9001 17.19 -9.86 23 1 -1 25 2 -2 3 14 1 24 4 -1 5 15 2 6 16 1 20 7 -2 21 8 -2 22 9 -1 24 10 -2 11 16 2 11 17 1 12 17 2 12 18 1 13 20 1 13 23 1 14 17 1 15 19 1 15 23 1 16 19 1 18 19 2 18 21 1 20 24 1 21 25 1 22 24 1 22 25 1 23 25 1', '25 27 H 17.19 -12.43 H 17.19 -8.84 C 11.00 -7.74 C 20.42 -8.91 O 15.91 -13.41 O 13.42 -13.41 O 20.87 -12.01 O 15.91 -7.74 O 18.42 -7.74 O 21.21 -10.43 C 12.20 -11.30 C 13.42 -9.14 C 18.42 -12.01 O 11.00 -9.14 C 15.91 -12.01 C 13.42 -12.01 C 12.20 -9.86 C 14.64 -9.86 C 14.64 -11.30 C 19.66 -11.30 C 15.91 -9.14 C 18.42 -9.14 C 17.19 -11.30 C 19.66 -9.86 C 17.19 -9.86 23 1 -1 25 2 -2 3 14 1 24 4 -1 5 15 2 6 16 1 20 7 -2 21 8 -2 22 9 -1 24 10 -2 11 16 2 11 17 1 12 17 2 12 18 1 13 20 1 13 23 1 14 17 1 15 19 1 15 23 1 16 19 1 18 19 2 18 21 1 20 24 1 21 25 1 22 24 1 22 25 1 23 25 1', '25 27 H 17.19 -12.43 H 17.19 -8.84 C:56 11.00 -7.74 C:24 20.42 -8.91 O 15.91 -13.41 O 13.42 -13.41 O 20.87 -12.01 O 15.91 -7.74 O 18.42 -7.74 O 21.21 -10.43 C:99 12.20 -11.30 C:104 13.42 -9.14 C:30 18.42 -12.01 O 11.00 -9.14 C:204 15.91 -12.01 C:164 13.42 -12.01 C:166 12.20 -9.86 C:152 14.64 -9.86 C:109 14.64 -11.30 C:70 19.66 -11.30 C:66 15.91 -9.14 C:72 18.42 -9.14 C:42 17.19 -11.30 C:72 19.66 -9.86 C:46 17.19 -9.86 23 1 -1 25 2 -2 3 14 1 24 4 -1 5 15 2 6 16 1 20 7 -2 21 8 -2 22 9 -1 24 10 -2 11 16 2 11 17 1 12 17 2 12 18 1 13 20 1 13 23 1 14 17 1 15 19 1 15 23 1 16 19 1 18 19 2 18 21 1 20 24 1 21 25 1 22 24 1 22 25 1 23 25 1', 'C16H20O7', 324.183, 'A', 'np09_626_12', 3007, '', '', '1', 1, NULL, NULL),
(11629, 'Stemphypyrone', '', 'Pyranes', 'Pyrones', '', '[CH3:4001]O[c:4]1[cH:5][c:6]([C:6001]([CH3:6101])=[CH:6002][CH:6003]([CH3:6004])O)o[c:2](=O)[c:3]1[CH3:3001]', 'COc1cc(C(C)=CC(C)O)oc(=O)c1C', '[CH3:57]O[c:169]1[cH:95][c:161]([C:128]([CH3:13])=[CH:139][CH:65]([CH3:23])O)o[c:167](=O)[c:103]1[CH3:9]', '16 16 C:4001 19.14 -13.70 C:6101 15.51 -7.41 C:3001 20.37 -11.62 C:6004 11.88 -9.51 O 20.37 -8.81 O 13.09 -7.41 C:6002 14.30 -9.51 C:5 16.72 -10.91 O 17.93 -12.99 O 17.93 -8.81 C:6001 15.51 -8.81 C:3 19.14 -10.91 C:4 17.93 -11.60 C:6 16.72 -9.51 C:2 19.14 -9.51 C:6003 13.09 -8.81 1 9 1 2 11 1 3 12 1 4 16 1 5 15 2 6 16 1 7 11 2 7 16 1 8 13 1 8 14 2 9 13 1 10 14 1 10 15 1 11 14 1 12 13 2 12 15 1', '16 16 C 19.14 -13.70 C 15.51 -7.41 C 20.37 -11.62 C 11.88 -9.51 O 20.37 -8.81 O 13.09 -7.41 C 14.30 -9.51 C 16.72 -10.91 O 17.93 -12.99 O 17.93 -8.81 C 15.51 -8.81 C 19.14 -10.91 C 17.93 -11.60 C 16.72 -9.51 C 19.14 -9.51 C 13.09 -8.81 1 9 1 2 11 1 3 12 1 4 16 1 5 15 2 6 16 1 7 11 2 7 16 1 8 13 1 8 14 2 9 13 1 10 14 1 10 15 1 11 14 1 12 13 2 12 15 1', '16 16 C:57 19.14 -13.70 C:13 15.51 -7.41 C:9 20.37 -11.62 C:23 11.88 -9.51 O 20.37 -8.81 O 13.09 -7.41 C:139 14.30 -9.51 C:95 16.72 -10.91 O 17.93 -12.99 O 17.93 -8.81 C:128 15.51 -8.81 C:103 19.14 -10.91 C:169 17.93 -11.60 C:161 16.72 -9.51 C:167 19.14 -9.51 C:65 13.09 -8.81 1 9 1 2 11 1 3 12 1 4 16 1 5 15 2 6 16 1 7 11 2 7 16 1 8 13 1 8 14 2 9 13 1 10 14 1 10 15 1 11 14 1 12 13 2 12 15 1', 'C12H16O4', 224.126, 'A', 'np09_626_13', 3007, '', '', '1', 1, NULL, NULL),
(11630, 'Rubiflavinone C-1', '', 'Aromatics', 'Anthraquinones', 'Pluramycins', '[CH3:19][CH:18]=[CH:17][CH:16]=[C:14]([CH3:15])[c:2]4[cH:3][c:4](=O)[c:4001]3[c:5]([CH3:13])[cH:6][c:6001]2[c:7](=O)[c:7001]1[cH:8][cH:9][cH:10][c:11](O)[c:11001]1[c:12](=O)[c:12001]2[c:12002]3o4', 'CC=CC=C(C)c4cc(=O)c3c(C)cc2c(=O)c1cccc(O)c1c(=O)c2c3o4', '[CH3:14][CH:135]=[CH:126][CH:131]=[C:124]([CH3:12])[c:164]4[cH:110][c:180](=O)[c:127]3[c:150]([CH3:24])[cH:126][c:137]2[c:182](=O)[c:133]1[cH:120][cH:137][cH:125][c:163](O)[c:117]1[c:188](=O)[c:119]2[c:157]3o4', '29 32 C:19 20.96 -4.63 C:15 17.31 -8.17 C:13 19.76 -15.14 O 20.96 -13.06 O 14.86 -16.54 O 14.86 -10.96 O 12.44 -10.96 C:18 20.96 -6.03 C:17 19.76 -6.76 C:16 19.76 -8.17 C:9 11.25 -14.46 C:10 11.25 -13.06 C:8 12.44 -15.14 C:3 19.76 -10.96 C:6 17.31 -15.14 O 17.31 -10.96 C:14 18.54 -8.86 C:5 18.54 -14.46 C:11 12.44 -12.36 C:2 18.54 -10.26 C:4 19.76 -12.36 C:7 14.86 -15.14 C:12 14.86 -12.36 C:7001 13.63 -14.46 C:6001 16.10 -14.46 C:12002 17.31 -12.36 C:4001 18.54 -13.06 C:11001 13.63 -13.06 C:12001 16.10 -13.06 1 8 1 2 17 1 3 18 1 4 21 2 5 22 2 6 23 2 7 19 1 8 9 2 9 10 1 10 17 2 11 12 1 11 13 2 12 19 2 13 24 1 14 20 2 14 21 1 15 18 2 15 25 1 16 20 1 16 26 1 17 20 1 18 27 1 19 28 1 21 27 1 22 24 1 22 25 1 23 28 1 23 29 1 24 28 2 25 29 2 26 27 2 26 29 1', '29 32 C 20.96 -4.63 C 17.31 -8.17 C 19.76 -15.14 O 20.96 -13.06 O 14.86 -16.54 O 14.86 -10.96 O 12.44 -10.96 C 20.96 -6.03 C 19.76 -6.76 C 19.76 -8.17 C 11.25 -14.46 C 11.25 -13.06 C 12.44 -15.14 C 19.76 -10.96 C 17.31 -15.14 O 17.31 -10.96 C 18.54 -8.86 C 18.54 -14.46 C 12.44 -12.36 C 18.54 -10.26 C 19.76 -12.36 C 14.86 -15.14 C 14.86 -12.36 C 13.63 -14.46 C 16.10 -14.46 C 17.31 -12.36 C 18.54 -13.06 C 13.63 -13.06 C 16.10 -13.06 1 8 1 2 17 1 3 18 1 4 21 2 5 22 2 6 23 2 7 19 1 8 9 2 9 10 1 10 17 2 11 12 1 11 13 2 12 19 2 13 24 1 14 20 2 14 21 1 15 18 2 15 25 1 16 20 1 16 26 1 17 20 1 18 27 1 19 28 1 21 27 1 22 24 1 22 25 1 23 28 1 23 29 1 24 28 2 25 29 2 26 27 2 26 29 1', '29 32 C:14 20.96 -4.63 C:12 17.31 -8.17 C:24 19.76 -15.14 O 20.96 -13.06 O 14.86 -16.54 O 14.86 -10.96 O 12.44 -10.96 C:135 20.96 -6.03 C:126 19.76 -6.76 C:131 19.76 -8.17 C:137 11.25 -14.46 C:125 11.25 -13.06 C:120 12.44 -15.14 C:110 19.76 -10.96 C:126 17.31 -15.14 O 17.31 -10.96 C:124 18.54 -8.86 C:150 18.54 -14.46 C:163 12.44 -12.36 C:164 18.54 -10.26 C:180 19.76 -12.36 C:182 14.86 -15.14 C:188 14.86 -12.36 C:133 13.63 -14.46 C:137 16.10 -14.46 C:157 17.31 -12.36 C:127 18.54 -13.06 C:117 13.63 -13.06 C:119 16.10 -13.06 1 8 1 2 17 1 3 18 1 4 21 2 5 22 2 6 23 2 7 19 1 8 9 2 9 10 1 10 17 2 11 12 1 11 13 2 12 19 2 13 24 1 14 20 2 14 21 1 15 18 2 15 25 1 16 20 1 16 26 1 17 20 1 18 27 1 19 28 1 21 27 1 22 24 1 22 25 1 23 28 1 23 29 1 24 28 2 25 29 2 26 27 2 26 29 1', 'C24H18O5', 386.254, 'DC', 'np95_613_2', 3008, '', '', '1', 1, NULL, NULL),
(11631, 'P-indomycinone', '', 'Aromatics', 'Anthraquinones', 'Pluramycins', '[CH3:19][CH:18]=[CH:17][CH2:16][C:14]([CH3:15])(O)[c:2]4[cH:3][c:4](=O)[c:4001]3[c:5]([CH3:13])[cH:6][c:6001]2[c:7](=O)[c:7001]1[cH:8][cH:9][cH:10][c:11](O)[c:11001]1[c:12](=O)[c:12001]2[c:12002]3o4', 'CC=CCC(C)(O)c4cc(=O)c3c(C)cc2c(=O)c1cccc(O)c1c(=O)c2c3o4', '[CH3:13][CH:130]=[CH:123][CH2:38][C:74]([CH3:26])(O)[c:172]4[cH:110][c:179](=O)[c:126]3[c:150]([CH3:24])[cH:126][c:136]2[c:182](=O)[c:132]1[cH:120][cH:137][cH:125][c:163](O)[c:117]1[c:187](=O)[c:120]2[c:156]3o4', '30 33 C:19 21.00 -4.67 C:13 19.80 -15.14 C:15 17.88 -7.64 O 21.00 -13.05 O 14.90 -16.54 O 14.90 -10.95 O 12.48 -10.95 O 17.18 -8.85 C:18 21.00 -6.07 C:17 19.80 -6.76 C:9 11.29 -14.45 C:10 11.29 -13.05 C:8 12.48 -15.14 C:3 19.80 -10.95 C:6 17.35 -15.14 C:16 19.80 -8.17 O 17.35 -10.95 C:5 18.58 -14.45 C:11 12.48 -12.35 C:2 18.58 -10.25 C:4 19.80 -12.35 C:7 14.90 -15.14 C:12 14.90 -12.35 C:7001 13.67 -14.45 C:6001 16.14 -14.45 C:4001 18.58 -13.05 C:11001 13.67 -13.05 C:12002 17.35 -12.35 C:12001 16.14 -13.05 C:14 18.58 -8.85 1 9 1 2 18 1 3 30 1 4 21 2 5 22 2 6 23 2 7 19 1 8 30 1 9 10 2 10 16 1 11 12 1 11 13 2 12 19 2 13 24 1 14 20 2 14 21 1 15 18 2 15 25 1 16 30 1 17 20 1 17 28 1 18 26 1 19 27 1 20 30 1 21 26 1 22 24 1 22 25 1 23 27 1 23 29 1 24 27 2 25 29 2 26 28 2 28 29 1', '30 33 C 21.00 -4.67 C 19.80 -15.14 C 17.88 -7.64 O 21.00 -13.05 O 14.90 -16.54 O 14.90 -10.95 O 12.48 -10.95 O 17.18 -8.85 C 21.00 -6.07 C 19.80 -6.76 C 11.29 -14.45 C 11.29 -13.05 C 12.48 -15.14 C 19.80 -10.95 C 17.35 -15.14 C 19.80 -8.17 O 17.35 -10.95 C 18.58 -14.45 C 12.48 -12.35 C 18.58 -10.25 C 19.80 -12.35 C 14.90 -15.14 C 14.90 -12.35 C 13.67 -14.45 C 16.14 -14.45 C 18.58 -13.05 C 13.67 -13.05 C 17.35 -12.35 C 16.14 -13.05 C 18.58 -8.85 1 9 1 2 18 1 3 30 1 4 21 2 5 22 2 6 23 2 7 19 1 8 30 1 9 10 2 10 16 1 11 12 1 11 13 2 12 19 2 13 24 1 14 20 2 14 21 1 15 18 2 15 25 1 16 30 1 17 20 1 17 28 1 18 26 1 19 27 1 20 30 1 21 26 1 22 24 1 22 25 1 23 27 1 23 29 1 24 27 2 25 29 2 26 28 2 28 29 1', '30 33 C:13 21.00 -4.67 C:24 19.80 -15.14 C:26 17.88 -7.64 O 21.00 -13.05 O 14.90 -16.54 O 14.90 -10.95 O 12.48 -10.95 O 17.18 -8.85 C:130 21.00 -6.07 C:123 19.80 -6.76 C:137 11.29 -14.45 C:125 11.29 -13.05 C:120 12.48 -15.14 C:110 19.80 -10.95 C:126 17.35 -15.14 C:38 19.80 -8.17 O 17.35 -10.95 C:150 18.58 -14.45 C:163 12.48 -12.35 C:172 18.58 -10.25 C:179 19.80 -12.35 C:182 14.90 -15.14 C:187 14.90 -12.35 C:132 13.67 -14.45 C:136 16.14 -14.45 C:126 18.58 -13.05 C:117 13.67 -13.05 C:156 17.35 -12.35 C:120 16.14 -13.05 C:74 18.58 -8.85 1 9 1 2 18 1 3 30 1 4 21 2 5 22 2 6 23 2 7 19 1 8 30 1 9 10 2 10 16 1 11 12 1 11 13 2 12 19 2 13 24 1 14 20 2 14 21 1 15 18 2 15 25 1 16 30 1 17 20 1 17 28 1 18 26 1 19 27 1 20 30 1 21 26 1 22 24 1 22 25 1 23 27 1 23 29 1 24 27 2 25 29 2 26 28 2 28 29 1', 'C24H20O6', 404.253, 'DC', 'np95_613_3', 3008, '', '', '1', 1, NULL, NULL),
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(11646, 'Capitellataquinone A', '', 'Aromatics', 'Anthraquinones', 'Anthraquinones', '[CH3:105][C:103]([CH3:104])(O)[CH:102]1[CH2:101][c:4]3[c:3](O1)[c:2]([CH2:13]O)[cH:1][c:9001]4[c:9](=O)[c:8001]2[c:8](O)[cH:7][cH:6][cH:5][c:10001]2[c:10](=O)[c:4001]34', 'CC(C)(O)C1Cc3c(O1)c(CO)cc4c(=O)c2c(O)cccc2c(=O)c34', '[CH3:26][C:71]([CH3:26])(O)[CH:92]1[CH2:32][c:130]3[c:164](O1)[c:130]([CH2:58]O)[cH:127][c:126]4[c:188](=O)[c:116]2[c:161](O)[cH:124][cH:137][cH:119][c:134]2[c:184](=O)[c:129]34', '26 29 C:105 21.06 -13.42 C:104 18.96 -14.64 O 14.82 -12.09 O 14.82 -6.51 O 20.91 -8.60 O 12.39 -6.51 O 20.36 -14.64 C:6 11.21 -10.00 C:7 11.21 -8.60 C:5 12.39 -10.70 C:1 17.27 -7.90 C:13 19.66 -7.90 C:101 17.56 -12.09 O 19.53 -10.93 C:8 12.39 -7.90 C:2 18.48 -8.60 C:3 18.48 -10.00 C:4 17.27 -10.70 C:10 14.82 -10.70 C:9 14.82 -7.90 C:10001 13.58 -10.00 C:9001 16.06 -8.60 C:8001 13.58 -8.60 C:4001 16.06 -10.00 C:102 18.96 -12.21 C:103 19.66 -13.42 1 26 1 2 26 1 3 19 2 4 20 2 5 12 1 6 15 1 7 26 1 8 9 1 8 10 2 9 15 2 10 21 1 11 16 2 11 22 1 12 16 1 13 18 1 13 25 1 14 17 1 14 25 1 15 23 1 16 17 1 17 18 2 18 24 1 19 21 1 19 24 1 20 22 1 20 23 1 21 23 2 22 24 2 25 26 1', '26 29 C 21.06 -13.42 C 18.96 -14.64 O 14.82 -12.09 O 14.82 -6.51 O 20.91 -8.60 O 12.39 -6.51 O 20.36 -14.64 C 11.21 -10.00 C 11.21 -8.60 C 12.39 -10.70 C 17.27 -7.90 C 19.66 -7.90 C 17.56 -12.09 O 19.53 -10.93 C 12.39 -7.90 C 18.48 -8.60 C 18.48 -10.00 C 17.27 -10.70 C 14.82 -10.70 C 14.82 -7.90 C 13.58 -10.00 C 16.06 -8.60 C 13.58 -8.60 C 16.06 -10.00 C 18.96 -12.21 C 19.66 -13.42 1 26 1 2 26 1 3 19 2 4 20 2 5 12 1 6 15 1 7 26 1 8 9 1 8 10 2 9 15 2 10 21 1 11 16 2 11 22 1 12 16 1 13 18 1 13 25 1 14 17 1 14 25 1 15 23 1 16 17 1 17 18 2 18 24 1 19 21 1 19 24 1 20 22 1 20 23 1 21 23 2 22 24 2 25 26 1', '26 29 C:26 21.06 -13.42 C:26 18.96 -14.64 O 14.82 -12.09 O 14.82 -6.51 O 20.91 -8.60 O 12.39 -6.51 O 20.36 -14.64 C:137 11.21 -10.00 C:124 11.21 -8.60 C:119 12.39 -10.70 C:127 17.27 -7.90 C:58 19.66 -7.90 C:32 17.56 -12.09 O 19.53 -10.93 C:161 12.39 -7.90 C:130 18.48 -8.60 C:164 18.48 -10.00 C:130 17.27 -10.70 C:184 14.82 -10.70 C:188 14.82 -7.90 C:134 13.58 -10.00 C:126 16.06 -8.60 C:116 13.58 -8.60 C:129 16.06 -10.00 C:92 18.96 -12.21 C:71 19.66 -13.42 1 26 1 2 26 1 3 19 2 4 20 2 5 12 1 6 15 1 7 26 1 8 9 1 8 10 2 9 15 2 10 21 1 11 16 2 11 22 1 12 16 1 13 18 1 13 25 1 14 17 1 14 25 1 15 23 1 16 17 1 17 18 2 18 24 1 19 21 1 19 24 1 20 22 1 20 23 1 21 23 2 22 24 2 25 26 1', 'C20H18O6', 354.21, 'A', 'ph66_1141_1', 3013, '', '', '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
(11647, 'Capitellataquinone B', '', 'Aromatics', 'Anthraquinones', 'Anthraquinones', '[CH3:105][C:103]([CH3:104])(O)[CH:102]4O[c:3]3[c:2]([CH2:13]O)[cH:1][c:9001]2[c:9](=O)[c:8001]1[c:8](O)[cH:7][cH:6][cH:5][c:10001]1[c:10](=O)[c:4001]2[c:4]3[CH:101]4O', 'CC(C)(O)C4Oc3c(CO)cc2c(=O)c1c(O)cccc1c(=O)c2c3C4O', '[CH3:25][C:71]([CH3:25])(O)[CH:98]4O[c:163]3[c:132]([CH2:58]O)[cH:128][c:127]2[c:188](=O)[c:116]1[c:161](O)[cH:125][cH:137][cH:119][c:134]1[c:185](=O)[c:130]2[c:131]3[CH:72]4O', '27 30 C:105 18.95 -14.64 C:104 21.07 -13.43 O 14.83 -12.10 O 14.83 -6.51 O 20.93 -8.62 O 12.40 -6.51 O 16.63 -13.12 O 20.36 -14.64 C:6 11.22 -10.01 C:7 11.22 -8.62 C:5 12.40 -10.71 C:1 17.27 -7.92 C:13 19.66 -7.92 O 19.53 -10.95 C:8 12.40 -7.92 C:2 18.48 -8.62 C:3 18.48 -10.01 C:4 17.27 -10.71 C:10 14.83 -10.71 C:9 14.83 -7.92 C:10001 13.59 -10.01 C:9001 16.07 -8.62 C:8001 13.59 -8.62 C:4001 16.07 -10.01 C:101 17.56 -12.10 C:102 18.95 -12.22 C:103 19.66 -13.43 1 27 1 2 27 1 3 19 2 4 20 2 5 13 1 6 15 1 7 25 1 8 27 1 9 10 1 9 11 2 10 15 2 11 21 1 12 16 2 12 22 1 13 16 1 14 17 1 14 26 1 15 23 1 16 17 1 17 18 2 18 24 1 18 25 1 19 21 1 19 24 1 20 22 1 20 23 1 21 23 2 22 24 2 25 26 1 26 27 1', '27 30 C 18.95 -14.64 C 21.07 -13.43 O 14.83 -12.10 O 14.83 -6.51 O 20.93 -8.62 O 12.40 -6.51 O 16.63 -13.12 O 20.36 -14.64 C 11.22 -10.01 C 11.22 -8.62 C 12.40 -10.71 C 17.27 -7.92 C 19.66 -7.92 O 19.53 -10.95 C 12.40 -7.92 C 18.48 -8.62 C 18.48 -10.01 C 17.27 -10.71 C 14.83 -10.71 C 14.83 -7.92 C 13.59 -10.01 C 16.07 -8.62 C 13.59 -8.62 C 16.07 -10.01 C 17.56 -12.10 C 18.95 -12.22 C 19.66 -13.43 1 27 1 2 27 1 3 19 2 4 20 2 5 13 1 6 15 1 7 25 1 8 27 1 9 10 1 9 11 2 10 15 2 11 21 1 12 16 2 12 22 1 13 16 1 14 17 1 14 26 1 15 23 1 16 17 1 17 18 2 18 24 1 18 25 1 19 21 1 19 24 1 20 22 1 20 23 1 21 23 2 22 24 2 25 26 1 26 27 1', '27 30 C:25 18.95 -14.64 C:25 21.07 -13.43 O 14.83 -12.10 O 14.83 -6.51 O 20.93 -8.62 O 12.40 -6.51 O 16.63 -13.12 O 20.36 -14.64 C:137 11.22 -10.01 C:125 11.22 -8.62 C:119 12.40 -10.71 C:128 17.27 -7.92 C:58 19.66 -7.92 O 19.53 -10.95 C:161 12.40 -7.92 C:132 18.48 -8.62 C:163 18.48 -10.01 C:131 17.27 -10.71 C:185 14.83 -10.71 C:188 14.83 -7.92 C:134 13.59 -10.01 C:127 16.07 -8.62 C:116 13.59 -8.62 C:130 16.07 -10.01 C:72 17.56 -12.10 C:98 18.95 -12.22 C:71 19.66 -13.43 1 27 1 2 27 1 3 19 2 4 20 2 5 13 1 6 15 1 7 25 1 8 27 1 9 10 1 9 11 2 10 15 2 11 21 1 12 16 2 12 22 1 13 16 1 14 17 1 14 26 1 15 23 1 16 17 1 17 18 2 18 24 1 18 25 1 19 21 1 19 24 1 20 22 1 20 23 1 21 23 2 22 24 2 25 26 1 26 27 1', 'C20H18O7', 370.21, 'A', 'ph66_1141_2', 3013, '', '', '1', 1, NULL, NULL),
(11648, 'Capitellataquinone C', '', 'Aromatics', 'Anthraquinones', 'Anthraquinones', '[CH3:105][C:103]([CH3:104])(O)[CH:102]4O[c:3]3[c:2]([CH2:13]O)[cH:1][c:9001]2[c:9](=O)[c:8001]1[cH:8][cH:7][cH:6][cH:5][c:10001]1[c:10](=O)[c:4001]2[c:4]3[CH:101]4O', 'CC(C)(O)C4Oc3c(CO)cc2c(=O)c1ccccc1c(=O)c2c3C4O', '[CH3:26][C:9999]([CH3:25])(O)[CH:93]4O[c:164]3[c:9999]([CH2:59]O)[cH:128][c:9999]2[c:182](=O)[c:9999]1[cH:128][cH:135][cH:135][cH:128][c:9999]1[c:9999](=O)[c:130]2[c:9999]3[CH:72]4O', '26 29 C:105 18.95 -14.68 C:104 21.03 -13.45 O 14.83 -6.52 O 14.83 -12.12 O 20.89 -8.62 O 16.64 -13.17 O 20.34 -14.68 C:7 11.18 -8.62 C:6 11.18 -10.02 C:8 12.38 -7.93 C:5 12.38 -10.71 C:1 17.28 -7.93 C:13 19.65 -7.93 O 19.52 -10.95 C:2 18.48 -8.62 C:3 18.48 -10.02 C:4 17.28 -10.71 C:9 14.83 -7.93 C:10 14.83 -10.71 C:8001 13.57 -8.62 C:10001 13.57 -10.02 C:9001 16.07 -8.62 C:4001 16.07 -10.02 C:101 17.56 -12.12 C:102 18.95 -12.24 C:103 19.65 -13.45 1 26 1 2 26 1 3 18 2 4 19 2 5 13 1 6 24 1 7 26 1 8 9 1 8 10 2 9 11 2 10 20 1 11 21 1 12 15 2 12 22 1 13 15 1 14 16 1 14 25 1 15 16 1 16 17 2 17 23 1 17 24 1 18 20 1 18 22 1 19 21 1 19 23 1 20 21 2 22 23 2 24 25 1 25 26 1', '26 29 C 18.95 -14.68 C 21.03 -13.45 O 14.83 -6.52 O 14.83 -12.12 O 20.89 -8.62 O 16.64 -13.17 O 20.34 -14.68 C 11.18 -8.62 C 11.18 -10.02 C 12.38 -7.93 C 12.38 -10.71 C 17.28 -7.93 C 19.65 -7.93 O 19.52 -10.95 C 18.48 -8.62 C 18.48 -10.02 C 17.28 -10.71 C 14.83 -7.93 C 14.83 -10.71 C 13.57 -8.62 C 13.57 -10.02 C 16.07 -8.62 C 16.07 -10.02 C 17.56 -12.12 C 18.95 -12.24 C 19.65 -13.45 1 26 1 2 26 1 3 18 2 4 19 2 5 13 1 6 24 1 7 26 1 8 9 1 8 10 2 9 11 2 10 20 1 11 21 1 12 15 2 12 22 1 13 15 1 14 16 1 14 25 1 15 16 1 16 17 2 17 23 1 17 24 1 18 20 1 18 22 1 19 21 1 19 23 1 20 21 2 22 23 2 24 25 1 25 26 1', '26 29 C:26 18.95 -14.68 C:25 21.03 -13.45 O 14.83 -6.52 O 14.83 -12.12 O 20.89 -8.62 O 16.64 -13.17 O 20.34 -14.68 C:135 11.18 -8.62 C:135 11.18 -10.02 C:128 12.38 -7.93 C:128 12.38 -10.71 C:128 17.28 -7.93 C:59 19.65 -7.93 O 19.52 -10.95 C 18.48 -8.62 C:164 18.48 -10.02 C 17.28 -10.71 C:182 14.83 -7.93 C 14.83 -10.71 C 13.57 -8.62 C 13.57 -10.02 C 16.07 -8.62 C:130 16.07 -10.02 C:72 17.56 -12.12 C:93 18.95 -12.24 C 19.65 -13.45 1 26 1 2 26 1 3 18 2 4 19 2 5 13 1 6 24 1 7 26 1 8 9 1 8 10 2 9 11 2 10 20 1 11 21 1 12 15 2 12 22 1 13 15 1 14 16 1 14 25 1 15 16 1 16 17 2 17 23 1 17 24 1 18 20 1 18 22 1 19 21 1 19 23 1 20 21 2 22 23 2 24 25 1 25 26 1', 'C20H18O6', 354.21, 'A', 'ph66_1141_3', 3013, 'Error in paper. -OH at 1', '', '1', 1, NULL, NULL),
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(11653, 'Chlorocyclinone A', 'Methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydrotetraphene-10 carboxylate', 'Aromatics', 'Anthraquinones', 'Angucyclines', '[CH3:9002][CH2:9001][c:9]4[c:8](O)[c:7001]3[c:7](=O)[c:6001]2[c:6](O)[cH:5][c:4001]1[cH:4][c:3]([CH3:13])[c:2](Cl)[c:1](O[CH3:1001])[c:12002]1[c:12001]2[c:12](=O)[c:11001]3[cH:11][c:10]4[C:10001](=O)O[CH3:10002]', 'CCc4c(O)c3c(=O)c2c(O)cc1cc(C)c(Cl)c(OC)c1c2c(=O)c3cc4C(=O)OC', '[CH3:14][CH2:21][c:141]4[c:161](O)[c:116]3[c:193](=O)[c:120]2[c:157](O)[cH:118][c:139]1[cH:123][c:141]([CH3:21])[c:127](Cl)[c:154](O[CH3:62])[c:120]1[c:137]2[c:184](=O)[c:134]3[cH:119][c:138]4[C:167](=O)O[CH3:53]', '32 35 C:9002 10.07 -12.36 C:10002 10.07 -8.10 C:1001 17.34 -6.72 C:13 22.19 -8.10 O 10.07 -10.89 O 16.08 -14.42 O 16.08 -8.80 O 18.54 -14.42 O 13.67 -14.42 Cl 19.76 -6.72 C:4 20.96 -10.20 C:5 19.76 -12.36 C:11 13.67 -10.23 C:9001 11.29 -13.04 O 11.29 -8.80 O 17.34 -8.10 C:10001 11.29 -10.20 C:3 20.96 -8.80 C:6 18.54 -13.04 C:8 13.67 -13.04 C:2 19.76 -8.10 C:10 12.50 -10.89 C:9 12.50 -12.36 C:1 18.54 -8.80 C:7 16.08 -13.04 C:12 16.08 -10.23 C:4001 19.76 -10.89 C:11001 14.86 -10.89 C:7001 14.86 -12.36 C:6001 17.34 -12.36 C:12002 18.54 -10.20 C:12001 17.34 -10.89 1 14 1 2 15 1 3 16 1 4 18 1 5 17 2 6 25 2 7 26 2 8 19 1 9 20 1 10 21 1 11 18 2 11 27 1 12 19 2 12 27 1 13 22 2 13 28 1 14 23 1 15 17 1 16 24 1 17 22 1 18 21 1 19 30 1 20 23 2 20 29 1 21 24 2 22 23 1 24 31 1 25 29 1 25 30 1 26 28 1 26 32 1 27 31 2 28 29 2 30 32 2 31 32 1', '32 35 C 10.07 -12.36 C 10.07 -8.10 C 17.34 -6.72 C 22.19 -8.10 O 10.07 -10.89 O 16.08 -14.42 O 16.08 -8.80 O 18.54 -14.42 O 13.67 -14.42 Cl 19.76 -6.72 C 20.96 -10.20 C 19.76 -12.36 C 13.67 -10.23 C 11.29 -13.04 O 11.29 -8.80 O 17.34 -8.10 C 11.29 -10.20 C 20.96 -8.80 C 18.54 -13.04 C 13.67 -13.04 C 19.76 -8.10 C 12.50 -10.89 C 12.50 -12.36 C 18.54 -8.80 C 16.08 -13.04 C 16.08 -10.23 C 19.76 -10.89 C 14.86 -10.89 C 14.86 -12.36 C 17.34 -12.36 C 18.54 -10.20 C 17.34 -10.89 1 14 1 2 15 1 3 16 1 4 18 1 5 17 2 6 25 2 7 26 2 8 19 1 9 20 1 10 21 1 11 18 2 11 27 1 12 19 2 12 27 1 13 22 2 13 28 1 14 23 1 15 17 1 16 24 1 17 22 1 18 21 1 19 30 1 20 23 2 20 29 1 21 24 2 22 23 1 24 31 1 25 29 1 25 30 1 26 28 1 26 32 1 27 31 2 28 29 2 30 32 2 31 32 1', '32 35 C:14 10.07 -12.36 C:53 10.07 -8.10 C:62 17.34 -6.72 C:21 22.19 -8.10 O 10.07 -10.89 O 16.08 -14.42 O 16.08 -8.80 O 18.54 -14.42 O 13.67 -14.42 Cl 19.76 -6.72 C:123 20.96 -10.20 C:118 19.76 -12.36 C:119 13.67 -10.23 C:21 11.29 -13.04 O 11.29 -8.80 O 17.34 -8.10 C:167 11.29 -10.20 C:141 20.96 -8.80 C:157 18.54 -13.04 C:161 13.67 -13.04 C:127 19.76 -8.10 C:138 12.50 -10.89 C:141 12.50 -12.36 C:154 18.54 -8.80 C:193 16.08 -13.04 C:184 16.08 -10.23 C:139 19.76 -10.89 C:134 14.86 -10.89 C:116 14.86 -12.36 C:120 17.34 -12.36 C:120 18.54 -10.20 C:137 17.34 -10.89 1 14 1 2 15 1 3 16 1 4 18 1 5 17 2 6 25 2 7 26 2 8 19 1 9 20 1 10 21 1 11 18 2 11 27 1 12 19 2 12 27 1 13 22 2 13 28 1 14 23 1 15 17 1 16 24 1 17 22 1 18 21 1 19 30 1 20 23 2 20 29 1 21 24 2 22 23 1 24 31 1 25 29 1 25 30 1 26 28 1 26 32 1 27 31 2 28 29 2 30 32 2 31 32 1', 'C24H19ClO7', 454.705, 'C', 'np07_1934_1', 3016, '', '', '1', 1, NULL, NULL),
(11654, 'Chlorocyclinone B', 'Methyl 9-[1-(acetyloxyethyl)]-2-chloro-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydrotetraphene-10 carboxylate', 'Aromatics', 'Anthraquinones', 'Angucyclines', '[CH3:10002]O[C:10001](=O)[c:10]4[cH:11][c:11001]3[c:12](=O)[c:12001]2[c:6001]([c:6](O)[cH:5][c:4001]1[cH:4][c:3]([CH3:13])[c:2](Cl)[c:1](O[CH3:1001])[c:12002]12)[c:7](=O)[c:7001]3[c:8](O)[c:9]4[CH:9001]([CH3:9002])O[C:9101]([CH3:9102])=O', 'COC(=O)c4cc3c(=O)c2c(c(O)cc1cc(C)c(Cl)c(OC)c12)c(=O)c3c(O)c4C(C)OC(C)=O', '[CH3:53]O[C:168](=O)[c:139]4[cH:118][c:135]3[c:183](=O)[c:137]2[c:119]([c:157](O)[cH:118][c:139]1[cH:123][c:142]([CH3:21])[c:127](Cl)[c:154](O[CH3:62])[c:120]12)[c:193](=O)[c:116]3[c:159](O)[c:134]4[CH:67]([CH3:19])O[C:170]([CH3:21])=O', '36 39 C:10002 10.70 -7.05 C:1001 17.94 -5.66 C:9102 10.70 -15.51 C:13 22.80 -7.05 C:9002 10.70 -11.32 O 9.46 -13.42 O 10.70 -9.86 O 16.68 -7.75 O 16.68 -13.38 O 19.14 -13.38 O 14.26 -13.38 Cl 20.36 -5.66 C:4 21.57 -9.16 C:5 20.36 -11.32 C:11 14.26 -9.19 O 11.88 -7.75 O 17.94 -7.05 O 11.89 -13.40 C:9101 10.70 -14.11 C:10001 11.88 -9.16 C:3 21.57 -7.75 C:6 19.14 -12.00 C:2 20.36 -7.05 C:8 14.26 -12.00 C:10 13.09 -9.86 C:1 19.14 -7.75 C:9 13.09 -11.32 C:12 16.68 -9.19 C:7 16.68 -12.00 C:4001 20.36 -9.86 C:11001 15.45 -9.86 C:7001 15.45 -11.32 C:6001 17.94 -11.32 C:12002 19.14 -9.16 C:12001 17.94 -9.86 C:9001 11.88 -12.00 1 16 1 2 17 1 3 19 1 4 21 1 5 36 1 6 19 2 7 20 2 8 28 2 9 29 2 10 22 1 11 24 1 12 23 1 13 21 2 13 30 1 14 22 2 14 30 1 15 25 2 15 31 1 16 20 1 17 26 1 18 19 1 18 36 1 20 25 1 21 23 1 22 33 1 23 26 2 24 27 2 24 32 1 25 27 1 26 34 1 27 36 1 28 31 1 28 35 1 29 32 1 29 33 1 30 34 2 31 32 2 33 35 2 34 35 1', '36 39 C 10.70 -7.05 C 17.94 -5.66 C 10.70 -15.51 C 22.80 -7.05 C 10.70 -11.32 O 9.46 -13.42 O 10.70 -9.86 O 16.68 -7.75 O 16.68 -13.38 O 19.14 -13.38 O 14.26 -13.38 Cl 20.36 -5.66 C 21.57 -9.16 C 20.36 -11.32 C 14.26 -9.19 O 11.88 -7.75 O 17.94 -7.05 O 11.89 -13.40 C 10.70 -14.11 C 11.88 -9.16 C 21.57 -7.75 C 19.14 -12.00 C 20.36 -7.05 C 14.26 -12.00 C 13.09 -9.86 C 19.14 -7.75 C 13.09 -11.32 C 16.68 -9.19 C 16.68 -12.00 C 20.36 -9.86 C 15.45 -9.86 C 15.45 -11.32 C 17.94 -11.32 C 19.14 -9.16 C 17.94 -9.86 C 11.88 -12.00 1 16 1 2 17 1 3 19 1 4 21 1 5 36 1 6 19 2 7 20 2 8 28 2 9 29 2 10 22 1 11 24 1 12 23 1 13 21 2 13 30 1 14 22 2 14 30 1 15 25 2 15 31 1 16 20 1 17 26 1 18 19 1 18 36 1 20 25 1 21 23 1 22 33 1 23 26 2 24 27 2 24 32 1 25 27 1 26 34 1 27 36 1 28 31 1 28 35 1 29 32 1 29 33 1 30 34 2 31 32 2 33 35 2 34 35 1', '36 39 C:53 10.70 -7.05 C:62 17.94 -5.66 C:21 10.70 -15.51 C:21 22.80 -7.05 C:19 10.70 -11.32 O 9.46 -13.42 O 10.70 -9.86 O 16.68 -7.75 O 16.68 -13.38 O 19.14 -13.38 O 14.26 -13.38 Cl 20.36 -5.66 C:123 21.57 -9.16 C:118 20.36 -11.32 C:118 14.26 -9.19 O 11.88 -7.75 O 17.94 -7.05 O 11.89 -13.40 C:170 10.70 -14.11 C:168 11.88 -9.16 C:142 21.57 -7.75 C:157 19.14 -12.00 C:127 20.36 -7.05 C:159 14.26 -12.00 C:139 13.09 -9.86 C:154 19.14 -7.75 C:134 13.09 -11.32 C:183 16.68 -9.19 C:193 16.68 -12.00 C:139 20.36 -9.86 C:135 15.45 -9.86 C:116 15.45 -11.32 C:119 17.94 -11.32 C:120 19.14 -9.16 C:137 17.94 -9.86 C:67 11.88 -12.00 1 16 1 2 17 1 3 19 1 4 21 1 5 36 1 6 19 2 7 20 2 8 28 2 9 29 2 10 22 1 11 24 1 12 23 1 13 21 2 13 30 1 14 22 2 14 30 1 15 25 2 15 31 1 16 20 1 17 26 1 18 19 1 18 36 1 20 25 1 21 23 1 22 33 1 23 26 2 24 27 2 24 32 1 25 27 1 26 34 1 27 36 1 28 31 1 28 35 1 29 32 1 29 33 1 30 34 2 31 32 2 33 35 2 34 35 1', 'C26H21ClO9', 512.726, 'C', 'np07_1934_2', 3016, '', '', '1', 1, NULL, NULL),
(11655, 'Chlorocyclinone C', 'Methyl 2-chloro-6,8-dihydroxy-9-{1-[(hydroxyacetyl)oxy]ethyl}-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydrotetraphene-10 carboxylate', 'Aromatics', 'Anthraquinones', 'Angucyclines', '[CH3:10002]O[C:10001](=O)[c:10]4[cH:11][c:11001]3[c:12](=O)[c:12001]2[c:6001]([c:6](O)[cH:5][c:4001]1[cH:4][c:3]([CH3:13])[c:2](Cl)[c:1](O[CH3:1001])[c:12002]12)[c:7](=O)[c:7001]3[c:8](O)[c:9]4[CH:9001]([CH3:9002])O[C:9101](=O)[CH2:9102]O', 'COC(=O)c4cc3c(=O)c2c(c(O)cc1cc(C)c(Cl)c(OC)c12)c(=O)c3c(O)c4C(C)OC(=O)CO', '[CH3:53]O[C:168](=O)[c:139]4[cH:118][c:136]3[c:183](=O)[c:137]2[c:119]([c:157](O)[cH:118][c:139]1[cH:123][c:142]([CH3:21])[c:127](Cl)[c:154](O[CH3:62])[c:120]12)[c:193](=O)[c:116]3[c:159](O)[c:133]4[CH:68]([CH3:19])O[C:172](=O)[CH2:61]O', '37 40 C:10002 10.70 -6.72 C:1001 17.95 -5.33 C:13 22.81 -6.72 C:9002 10.70 -10.99 O 9.49 -13.09 O 10.70 -9.53 O 16.69 -13.05 O 16.69 -7.42 O 9.49 -15.88 O 19.15 -13.05 O 14.27 -13.05 Cl 20.37 -5.33 C:4 21.58 -8.83 C:5 20.37 -10.99 C:11 14.27 -8.86 C:9102 10.70 -15.18 O 11.88 -7.42 O 17.95 -6.72 O 11.89 -13.07 C:9101 10.70 -13.78 C:10001 11.88 -8.83 C:3 21.58 -7.42 C:6 19.15 -11.67 C:8 14.27 -11.67 C:2 20.37 -6.72 C:10 13.09 -9.53 C:1 19.15 -7.42 C:9 13.09 -10.99 C:7 16.69 -11.67 C:12 16.69 -8.86 C:4001 20.37 -9.53 C:11001 15.46 -9.53 C:7001 15.46 -10.99 C:6001 17.95 -10.99 C:12002 19.15 -8.83 C:12001 17.95 -9.53 C:9001 11.88 -11.67 1 17 1 2 18 1 3 22 1 4 37 1 5 20 2 6 21 2 7 29 2 8 30 2 9 16 1 10 23 1 11 24 1 12 25 1 13 22 2 13 31 1 14 23 2 14 31 1 15 26 2 15 32 1 16 20 1 17 21 1 18 27 1 19 20 1 19 37 1 21 26 1 22 25 1 23 34 1 24 28 2 24 33 1 25 27 2 26 28 1 27 35 1 28 37 1 29 33 1 29 34 1 30 32 1 30 36 1 31 35 2 32 33 2 34 36 2 35 36 1', '37 40 C 10.70 -6.72 C 17.95 -5.33 C 22.81 -6.72 C 10.70 -10.99 O 9.49 -13.09 O 10.70 -9.53 O 16.69 -13.05 O 16.69 -7.42 O 9.49 -15.88 O 19.15 -13.05 O 14.27 -13.05 Cl 20.37 -5.33 C 21.58 -8.83 C 20.37 -10.99 C 14.27 -8.86 C 10.70 -15.18 O 11.88 -7.42 O 17.95 -6.72 O 11.89 -13.07 C 10.70 -13.78 C 11.88 -8.83 C 21.58 -7.42 C 19.15 -11.67 C 14.27 -11.67 C 20.37 -6.72 C 13.09 -9.53 C 19.15 -7.42 C 13.09 -10.99 C 16.69 -11.67 C 16.69 -8.86 C 20.37 -9.53 C 15.46 -9.53 C 15.46 -10.99 C 17.95 -10.99 C 19.15 -8.83 C 17.95 -9.53 C 11.88 -11.67 1 17 1 2 18 1 3 22 1 4 37 1 5 20 2 6 21 2 7 29 2 8 30 2 9 16 1 10 23 1 11 24 1 12 25 1 13 22 2 13 31 1 14 23 2 14 31 1 15 26 2 15 32 1 16 20 1 17 21 1 18 27 1 19 20 1 19 37 1 21 26 1 22 25 1 23 34 1 24 28 2 24 33 1 25 27 2 26 28 1 27 35 1 28 37 1 29 33 1 29 34 1 30 32 1 30 36 1 31 35 2 32 33 2 34 36 2 35 36 1', '37 40 C:53 10.70 -6.72 C:62 17.95 -5.33 C:21 22.81 -6.72 C:19 10.70 -10.99 O 9.49 -13.09 O 10.70 -9.53 O 16.69 -13.05 O 16.69 -7.42 O 9.49 -15.88 O 19.15 -13.05 O 14.27 -13.05 Cl 20.37 -5.33 C:123 21.58 -8.83 C:118 20.37 -10.99 C:118 14.27 -8.86 C:61 10.70 -15.18 O 11.88 -7.42 O 17.95 -6.72 O 11.89 -13.07 C:172 10.70 -13.78 C:168 11.88 -8.83 C:142 21.58 -7.42 C:157 19.15 -11.67 C:159 14.27 -11.67 C:127 20.37 -6.72 C:139 13.09 -9.53 C:154 19.15 -7.42 C:133 13.09 -10.99 C:193 16.69 -11.67 C:183 16.69 -8.86 C:139 20.37 -9.53 C:136 15.46 -9.53 C:116 15.46 -10.99 C:119 17.95 -10.99 C:120 19.15 -8.83 C:137 17.95 -9.53 C:68 11.88 -11.67 1 17 1 2 18 1 3 22 1 4 37 1 5 20 2 6 21 2 7 29 2 8 30 2 9 16 1 10 23 1 11 24 1 12 25 1 13 22 2 13 31 1 14 23 2 14 31 1 15 26 2 15 32 1 16 20 1 17 21 1 18 27 1 19 20 1 19 37 1 21 26 1 22 25 1 23 34 1 24 28 2 24 33 1 25 27 2 26 28 1 27 35 1 28 37 1 29 33 1 29 34 1 30 32 1 30 36 1 31 35 2 32 33 2 34 36 2 35 36 1', 'C26H21ClO10', 528.725, 'C', 'np07_1934_3', 3016, '', '', '1', 1, NULL, NULL),
(11656, 'Chlorocyclinone D', '2-Chloro-6,8-dihydroxy-1-methoxy-3,9-dimethyltetrapheno[10,9-c]furan-7,11,13(9H)-trione', 'Aromatics', 'Anthraquinones', 'Angucyclines', '[CH3:1001]O[c:1]3[c:2](Cl)[c:3]([CH3:13])[cH:4][c:4001]4[cH:5][c:6](O)[c:6001]2[c:7](=O)[c:7001]1[c:8](O)[c:9]5[c:10]([cH:11][c:11001]1[c:12](=O)[c:12001]2[c:12002]34)[C:10001](=O)O[CH:9001]5[CH3:9002]', 'COc3c(Cl)c(C)cc4cc(O)c2c(=O)c1c(O)c5c(cc1c(=O)c2c34)C(=O)OC5C', '[CH3:62]O[c:154]3[c:127](Cl)[c:142]([CH3:21])[cH:123][c:139]4[cH:118][c:157](O)[c:119]2[c:193](=O)[c:118]1[c:157](O)[c:143]5[c:134]([cH:115][c:139]1[c:184](=O)[c:137]2[c:120]34)[C:168](=O)O[CH:77]5[CH3:19]', '31 35 C:1001 17.23 -6.71 C:13 22.07 -8.10 C:9002 10.61 -14.08 O 10.61 -9.17 O 15.98 -14.41 O 15.98 -8.79 O 18.42 -14.41 O 13.56 -14.41 Cl 19.64 -6.71 C:4 20.85 -10.23 C:5 19.64 -12.36 C:11 13.56 -10.23 O 17.23 -8.10 O 10.23 -11.63 C:10001 11.05 -10.50 C:3 20.85 -8.79 C:6 18.42 -13.04 C:2 19.64 -8.10 C:8 13.56 -13.04 C:10 12.39 -10.90 C:1 18.42 -8.79 C:9 12.39 -12.36 C:7 15.98 -13.04 C:12 15.98 -10.23 C:4001 19.64 -10.90 C:11001 14.75 -10.90 C:7001 14.75 -12.36 C:6001 17.23 -12.36 C:12002 18.42 -10.23 C:12001 17.23 -10.90 C:9001 11.05 -12.76 1 13 1 2 16 1 3 31 1 4 15 2 5 23 2 6 24 2 7 17 1 8 19 1 9 18 1 10 16 2 10 25 1 11 17 2 11 25 1 12 20 2 12 26 1 13 21 1 14 15 1 14 31 1 15 20 1 16 18 1 17 28 1 18 21 2 19 22 2 19 27 1 20 22 1 21 29 1 22 31 1 23 27 1 23 28 1 24 26 1 24 30 1 25 29 2 26 27 2 28 30 2 29 30 1', '31 35 C 17.23 -6.71 C 22.07 -8.10 C 10.61 -14.08 O 10.61 -9.17 O 15.98 -14.41 O 15.98 -8.79 O 18.42 -14.41 O 13.56 -14.41 Cl 19.64 -6.71 C 20.85 -10.23 C 19.64 -12.36 C 13.56 -10.23 O 17.23 -8.10 O 10.23 -11.63 C 11.05 -10.50 C 20.85 -8.79 C 18.42 -13.04 C 19.64 -8.10 C 13.56 -13.04 C 12.39 -10.90 C 18.42 -8.79 C 12.39 -12.36 C 15.98 -13.04 C 15.98 -10.23 C 19.64 -10.90 C 14.75 -10.90 C 14.75 -12.36 C 17.23 -12.36 C 18.42 -10.23 C 17.23 -10.90 C 11.05 -12.76 1 13 1 2 16 1 3 31 1 4 15 2 5 23 2 6 24 2 7 17 1 8 19 1 9 18 1 10 16 2 10 25 1 11 17 2 11 25 1 12 20 2 12 26 1 13 21 1 14 15 1 14 31 1 15 20 1 16 18 1 17 28 1 18 21 2 19 22 2 19 27 1 20 22 1 21 29 1 22 31 1 23 27 1 23 28 1 24 26 1 24 30 1 25 29 2 26 27 2 28 30 2 29 30 1', '31 35 C:62 17.23 -6.71 C:21 22.07 -8.10 C:19 10.61 -14.08 O 10.61 -9.17 O 15.98 -14.41 O 15.98 -8.79 O 18.42 -14.41 O 13.56 -14.41 Cl 19.64 -6.71 C:123 20.85 -10.23 C:118 19.64 -12.36 C:115 13.56 -10.23 O 17.23 -8.10 O 10.23 -11.63 C:168 11.05 -10.50 C:142 20.85 -8.79 C:157 18.42 -13.04 C:127 19.64 -8.10 C:157 13.56 -13.04 C:134 12.39 -10.90 C:154 18.42 -8.79 C:143 12.39 -12.36 C:193 15.98 -13.04 C:184 15.98 -10.23 C:139 19.64 -10.90 C:139 14.75 -10.90 C:118 14.75 -12.36 C:119 17.23 -12.36 C:120 18.42 -10.23 C:137 17.23 -10.90 C:77 11.05 -12.76 1 13 1 2 16 1 3 31 1 4 15 2 5 23 2 6 24 2 7 17 1 8 19 1 9 18 1 10 16 2 10 25 1 11 17 2 11 25 1 12 20 2 12 26 1 13 21 1 14 15 1 14 31 1 15 20 1 16 18 1 17 28 1 18 21 2 19 22 2 19 27 1 20 22 1 21 29 1 22 31 1 23 27 1 23 28 1 24 26 1 24 30 1 25 29 2 26 27 2 28 30 2 29 30 1', 'C23H15ClO7', 438.695, 'C', 'np07_1934_4', 3016, '', '', '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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(11666, '', '10-Aromadendranol', 'Terpenoids', 'Sesquiterpenoids', 'Aromadendranes', '[H][C@:1]13[CH2:2][CH2:3][C@@H:4]([CH3:15])[C@@:5]1([H])[C@:6]2([H])[C@@:11]([CH3:12])([CH3:13])[C@:7]2([H])[CH2:8][CH2:9][C@@:10]3([CH3:14])O', '[H][C@]13CC[C@@H](C)[C@@]1([H])[C@]2([H])[C@@](C)(C)[C@]2([H])CC[C@@]3(C)O', '[H][C@:54]13[CH2:25][CH2:31][C@@H:38]([CH3:16])[C@@:41]1([H])[C@:23]2([H])[C@@:19]([CH3:15])([CH3:29])[C@:25]2([H])[CH2:20][CH2:39][C@@:75]3([CH3:31])O', '20 22 H 15.47 -8.37 H 19.06 -11.93 H 15.47 -11.75 H 15.98 -12.41 C:15 13.56 -12.67 C:14 17.32 -7.03 C:12 18.85 -13.71 C:13 16.80 -14.14 O 15.76 -7.19 C:3 13.18 -10.05 C:9 18.13 -8.85 C:2 14.08 -8.85 C:8 18.74 -10.14 C:4 14.03 -11.26 C:10 16.67 -8.43 C:11 17.60 -12.89 C:1 15.47 -9.35 C:7 18.08 -11.47 C:5 15.47 -10.82 C:6 16.61 -11.75 17 1 -1 18 2 -2 19 3 -1 20 4 -2 14 5 -2 15 6 -1 16 7 -1 16 8 -2 15 9 -2 10 12 1 10 14 1 11 13 1 11 15 1 12 17 1 13 18 1 14 19 1 15 17 1 16 18 1 16 20 1 17 19 1 18 20 1 19 20 1', '20 22 H 15.47 -8.37 H 19.06 -11.93 H 15.47 -11.75 H 15.98 -12.41 C 13.56 -12.67 C 17.32 -7.03 C 18.85 -13.71 C 16.80 -14.14 O 15.76 -7.19 C 13.18 -10.05 C 18.13 -8.85 C 14.08 -8.85 C 18.74 -10.14 C 14.03 -11.26 C 16.67 -8.43 C 17.60 -12.89 C 15.47 -9.35 C 18.08 -11.47 C 15.47 -10.82 C 16.61 -11.75 17 1 -1 18 2 -2 19 3 -1 20 4 -2 14 5 -2 15 6 -1 16 7 -1 16 8 -2 15 9 -2 10 12 1 10 14 1 11 13 1 11 15 1 12 17 1 13 18 1 14 19 1 15 17 1 16 18 1 16 20 1 17 19 1 18 20 1 19 20 1', '20 22 H 15.47 -8.37 H 19.06 -11.93 H 15.47 -11.75 H 15.98 -12.41 C:16 13.56 -12.67 C:31 17.32 -7.03 C:15 18.85 -13.71 C:29 16.80 -14.14 O 15.76 -7.19 C:31 13.18 -10.05 C:39 18.13 -8.85 C:25 14.08 -8.85 C:20 18.74 -10.14 C:38 14.03 -11.26 C:75 16.67 -8.43 C:19 17.60 -12.89 C:54 15.47 -9.35 C:25 18.08 -11.47 C:41 15.47 -10.82 C:23 16.61 -11.75 17 1 -1 18 2 -2 19 3 -1 20 4 -2 14 5 -2 15 6 -1 16 7 -1 16 8 -2 15 9 -2 10 12 1 10 14 1 11 13 1 11 15 1 12 17 1 13 18 1 14 19 1 15 17 1 16 18 1 16 20 1 17 19 1 18 20 1 19 20 1', 'C15H26O', 222.192, 'C', 'ph55_749_1', 3020, '', '', '1', 1, NULL, NULL),
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(11687, '(6R,7S)-α-Taylorione', '', 'Terpenoids', 'Sesquiterpenoids', 'Aromadendranes', '[H][C@:7]1([CH2:8][CH2:9][C:10]([CH3:14])=O)[C@@:11]([CH3:13])([CH3:12])[C@@:6]1([H])[C:5]2=[CH:1][CH2:2][CH:3]=[C:4]2[CH3:15]', '[H][C@]1(CCC(C)=O)[C@@](C)(C)[C@@]1([H])C2=CCC=C2C', '[H][C@:29]1([CH2:21][CH2:44][C:206]([CH3:29])=O)[C@@:19]([CH3:29])([CH3:16])[C@@:26]1([H])[C:145]2=[CH:127][CH2:40][CH:128]=[C:137]2[CH3:14]', '18 19 H 18.38 -12.18 H 15.33 -12.65 C:14 17.93 -6.78 C:15 12.96 -12.90 C:13 16.15 -14.36 C:12 18.18 -13.93 O 19.72 -8.35 C:3 12.58 -10.33 C:1 14.83 -9.64 C:2 13.42 -9.15 C:9 17.46 -9.10 C:8 18.07 -10.41 C:10 18.38 -8.07 C:4 13.42 -11.52 C:5 14.83 -11.09 C:11 16.93 -13.12 C:7 17.41 -11.73 C:6 15.95 -12.03 17 1 -2 18 2 -2 3 13 1 4 14 1 16 5 -2 16 6 -1 7 13 2 8 10 1 8 14 2 9 10 1 9 15 2 11 12 1 11 13 1 12 17 1 14 15 1 15 18 1 16 17 1 16 18 1 17 18 1', '18 19 H 18.38 -12.18 H 15.33 -12.65 C 17.93 -6.78 C 12.96 -12.90 C 16.15 -14.36 C 18.18 -13.93 O 19.72 -8.35 C 12.58 -10.33 C 14.83 -9.64 C 13.42 -9.15 C 17.46 -9.10 C 18.07 -10.41 C 18.38 -8.07 C 13.42 -11.52 C 14.83 -11.09 C 16.93 -13.12 C 17.41 -11.73 C 15.95 -12.03 17 1 -2 18 2 -2 3 13 1 4 14 1 16 5 -2 16 6 -1 7 13 2 8 10 1 8 14 2 9 10 1 9 15 2 11 12 1 11 13 1 12 17 1 14 15 1 15 18 1 16 17 1 16 18 1 17 18 1', '18 19 H 18.38 -12.18 H 15.33 -12.65 C:29 17.93 -6.78 C:14 12.96 -12.90 C:29 16.15 -14.36 C:16 18.18 -13.93 O 19.72 -8.35 C:128 12.58 -10.33 C:127 14.83 -9.64 C:40 13.42 -9.15 C:44 17.46 -9.10 C:21 18.07 -10.41 C:206 18.38 -8.07 C:137 13.42 -11.52 C:145 14.83 -11.09 C:19 16.93 -13.12 C:29 17.41 -11.73 C:26 15.95 -12.03 17 1 -2 18 2 -2 3 13 1 4 14 1 16 5 -2 16 6 -1 7 13 2 8 10 1 8 14 2 9 10 1 9 15 2 11 12 1 11 13 1 12 17 1 14 15 1 15 18 1 16 17 1 16 18 1 17 18 1', 'C15H22O', 218.176, 'B', 'ph65_2277_7', 2377, '', '', '1', 1, NULL, NULL),
(11688, '', '(5S*,6S*,7S*)-Aromadendra-1(10),4(15)-diene', 'Terpenoids', 'Sesquiterpenoids', 'Aromadendranes', '[H][C@:7]23[CH2:8][CH2:9][C:10]([CH3:14])=[C:1]1[CH2:2][CH2:3][C:4](=[CH2:15])[C@:5]1([H])[C@@:6]2([H])[C@:11]3([CH3:13])[CH3:12]', '[H][C@]23CCC(C)=C1CCC(=C)[C@]1([H])[C@@]2([H])[C@]3(C)C', '[H][C@:27]23[CH2:24][CH2:37][C:126]([CH3:22])=[C:137]1[CH2:32][CH2:33][C:158](=[CH2:105])[C@:43]1([H])[C@@:35]2([H])[C@:19]3([CH3:29])[CH3:16]', '18 20 H 19.02 -11.96 H 15.45 -11.78 H 15.95 -12.43 C:15 13.57 -12.69 C:14 16.35 -7.06 C:13 16.78 -14.16 C:12 18.82 -13.72 C:3 13.20 -10.10 C:9 18.10 -8.87 C:2 14.03 -8.92 C:8 18.71 -10.19 C:4 14.03 -11.30 C:10 16.65 -8.50 C:1 15.45 -9.41 C:7 18.05 -11.51 C:5 15.45 -10.87 C:11 17.57 -12.91 C:6 16.58 -11.78 15 1 -1 16 2 -2 18 3 -1 4 12 2 5 13 1 17 6 -2 17 7 -1 8 10 1 8 12 1 9 11 1 9 13 1 10 14 1 11 15 1 12 16 1 13 14 2 14 16 1 15 17 1 15 18 1 16 18 1 17 18 1', '18 20 H 19.02 -11.96 H 15.45 -11.78 H 15.95 -12.43 C 13.57 -12.69 C 16.35 -7.06 C 16.78 -14.16 C 18.82 -13.72 C 13.20 -10.10 C 18.10 -8.87 C 14.03 -8.92 C 18.71 -10.19 C 14.03 -11.30 C 16.65 -8.50 C 15.45 -9.41 C 18.05 -11.51 C 15.45 -10.87 C 17.57 -12.91 C 16.58 -11.78 15 1 -1 16 2 -2 18 3 -1 4 12 2 5 13 1 17 6 -2 17 7 -1 8 10 1 8 12 1 9 11 1 9 13 1 10 14 1 11 15 1 12 16 1 13 14 2 14 16 1 15 17 1 15 18 1 16 18 1 17 18 1', '18 20 H 19.02 -11.96 H 15.45 -11.78 H 15.95 -12.43 C:105 13.57 -12.69 C:22 16.35 -7.06 C:29 16.78 -14.16 C:16 18.82 -13.72 C:33 13.20 -10.10 C:37 18.10 -8.87 C:32 14.03 -8.92 C:24 18.71 -10.19 C:158 14.03 -11.30 C:126 16.65 -8.50 C:137 15.45 -9.41 C:27 18.05 -11.51 C:43 15.45 -10.87 C:19 17.57 -12.91 C:35 16.58 -11.78 15 1 -1 16 2 -2 18 3 -1 4 12 2 5 13 1 17 6 -2 17 7 -1 8 10 1 8 12 1 9 11 1 9 13 1 10 14 1 11 15 1 12 16 1 13 14 2 14 16 1 15 17 1 15 18 1 16 18 1 17 18 1', 'C15H22', 202.184, 'B', 'ph65_2277_19', 2377, '', '', '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
(11689, '', '(1S,6R,7S)-Aromadendra-4,10(14)-diene', 'Terpenoids', 'Sesquiterpenoids', 'Aromadendranes', '[H][C@@:1]12[CH2:2][CH2:3][C:4]([CH3:15])=[C:5]1[C@:6]3([H])[C@:7]([H])([CH2:8][CH2:9][C:10]2=[CH2:14])[C@:11]3([CH3:12])[CH3:13]', '[H][C@@]12CCC(C)=C1[C@]3([H])[C@]([H])(CCC2=C)[C@]3(C)C', '[H][C@@:51]12[CH2:29][CH2:36][C:136]([CH3:15])=[C:138]1[C@:25]3([H])[C@:28]([H])([CH2:21][CH2:36][C:150]2=[CH2:108])[C@:20]3([CH3:17])[CH3:29]', '18 20 H 15.49 -8.42 H 19.05 -11.94 H 15.99 -12.41 C:14 16.38 -7.05 C:15 13.61 -12.67 C:12 18.85 -13.70 C:13 16.81 -14.13 C:9 18.13 -8.86 C:3 13.23 -10.09 C:2 14.07 -8.91 C:8 18.74 -10.17 C:10 16.68 -8.48 C:4 14.07 -11.28 C:5 15.49 -10.85 C:1 15.49 -9.40 C:7 18.08 -11.49 C:6 16.62 -11.80 C:11 17.60 -12.89 15 1 -2 16 2 -1 17 3 -1 4 12 2 5 13 1 18 6 -1 18 7 -2 8 11 1 8 12 1 9 10 1 9 13 1 10 15 1 11 16 1 12 15 1 13 14 2 14 15 1 14 17 1 16 17 1 16 18 1 17 18 1', '18 20 H 15.49 -8.42 H 19.05 -11.94 H 15.99 -12.41 C 16.38 -7.05 C 13.61 -12.67 C 18.85 -13.70 C 16.81 -14.13 C 18.13 -8.86 C 13.23 -10.09 C 14.07 -8.91 C 18.74 -10.17 C 16.68 -8.48 C 14.07 -11.28 C 15.49 -10.85 C 15.49 -9.40 C 18.08 -11.49 C 16.62 -11.80 C 17.60 -12.89 15 1 -2 16 2 -1 17 3 -1 4 12 2 5 13 1 18 6 -1 18 7 -2 8 11 1 8 12 1 9 10 1 9 13 1 10 15 1 11 16 1 12 15 1 13 14 2 14 15 1 14 17 1 16 17 1 16 18 1 17 18 1', '18 20 H 15.49 -8.42 H 19.05 -11.94 H 15.99 -12.41 C:108 16.38 -7.05 C:15 13.61 -12.67 C:17 18.85 -13.70 C:29 16.81 -14.13 C:36 18.13 -8.86 C:36 13.23 -10.09 C:29 14.07 -8.91 C:21 18.74 -10.17 C:150 16.68 -8.48 C:136 14.07 -11.28 C:138 15.49 -10.85 C:51 15.49 -9.40 C:28 18.08 -11.49 C:25 16.62 -11.80 C:20 17.60 -12.89 15 1 -2 16 2 -1 17 3 -1 4 12 2 5 13 1 18 6 -1 18 7 -2 8 11 1 8 12 1 9 10 1 9 13 1 10 15 1 11 16 1 12 15 1 13 14 2 14 15 1 14 17 1 16 17 1 16 18 1 17 18 1', 'C15H22', 202.184, 'B', 'ph65_2277_20', 2377, '', '', '1', 1, NULL, NULL),
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