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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(12862, 'Scutalpin N', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]24[CH2:1][CH2:2][CH2:3][C@:4]1([CH2:18]O1)[C@:5]2([CH2:19]O[C:19001]([CH3:19002])=O)[C@@H:6](O[C:6001](=O)[c:6002]3[cH:6007][cH:6006][cH:6005][cH:6004][cH:6003]3)[CH2:7][C@:8]([CH3:17])(O)[C@:9]4([CH3:20])[CH2:11][CH2:12][C:13]5=[CH:14][C:15](=O)O[CH2:16]5', '[H][C@]24CCC[C@]1(CO1)[C@]2(COC(C)=O)[C@@H](OC(=O)c3ccccc3)C[C@](C)(O)[C@]4(C)CCC5=CC(=O)OC5', '[H][C@:41]24[CH2:21][CH2:25][CH2:33][C@:65]1([CH2:49]O1)[C@:45]2([CH2:62]O[C:171]([CH3:22])=O)[C@@H:69](O[C:166](=O)[c:131]3[cH:130][cH:128][cH:133][cH:128][cH:130]3)[CH2:40][C@:77]([CH3:21])(O)[C@:42]4([CH3:21])[CH2:34][CH2:26][C:172]5=[CH:114][C:176](=O)O[CH2:73]5', '38 42 H 15.51 -9.08 C:19002 14.30 -16.59 C:17 19.17 -9.39 C:20 17.80 -8.46 O 13.09 -14.47 O 17.04 -2.58 O 19.17 -13.61 O 19.17 -10.79 C:14 16.72 -5.05 C:6005 17.93 -18.54 C:6006 19.17 -17.83 C:6004 16.72 -17.83 C:6007 19.17 -16.41 C:6003 16.72 -16.41 C:2 13.09 -10.09 C:12 15.51 -7.26 C:16 14.41 -5.05 C:1 14.30 -9.39 C:3 13.09 -11.50 C:11 16.77 -7.99 C:19 15.51 -13.11 C:18 14.30 -13.61 C:7 17.99 -11.50 O 14.82 -3.72 O 15.51 -14.47 O 13.09 -12.90 O 16.77 -13.61 C:19001 14.30 -15.19 C:15 16.23 -3.72 C:6001 17.93 -14.30 C:13 15.51 -5.86 C:6002 17.93 -15.70 C:6 16.77 -12.20 C:8 17.99 -10.09 C:10 15.51 -10.09 C:9 16.77 -9.39 C:4 14.30 -12.20 C:5 15.51 -11.50 35 1 -1 2 28 1 34 3 -2 36 4 -2 5 28 2 6 29 2 7 30 2 34 8 -1 9 29 1 9 31 2 10 11 1 10 12 2 11 13 2 12 14 1 13 32 1 14 32 2 15 18 1 15 19 1 16 20 1 16 31 1 17 24 1 17 31 1 18 35 1 19 37 1 20 36 1 21 25 1 38 21 -2 22 26 1 37 22 -1 23 33 1 23 34 1 24 29 1 25 28 1 37 26 -2 27 30 1 33 27 -2 30 32 1 33 38 1 34 36 1 35 36 1 35 38 1 37 38 1', '38 42 H 15.51 -9.08 C 14.30 -16.59 C 19.17 -9.39 C 17.80 -8.46 O 13.09 -14.47 O 17.04 -2.58 O 19.17 -13.61 O 19.17 -10.79 C 16.72 -5.05 C 17.93 -18.54 C 19.17 -17.83 C 16.72 -17.83 C 19.17 -16.41 C 16.72 -16.41 C 13.09 -10.09 C 15.51 -7.26 C 14.41 -5.05 C 14.30 -9.39 C 13.09 -11.50 C 16.77 -7.99 C 15.51 -13.11 C 14.30 -13.61 C 17.99 -11.50 O 14.82 -3.72 O 15.51 -14.47 O 13.09 -12.90 O 16.77 -13.61 C 14.30 -15.19 C 16.23 -3.72 C 17.93 -14.30 C 15.51 -5.86 C 17.93 -15.70 C 16.77 -12.20 C 17.99 -10.09 C 15.51 -10.09 C 16.77 -9.39 C 14.30 -12.20 C 15.51 -11.50 35 1 -1 2 28 1 34 3 -2 36 4 -2 5 28 2 6 29 2 7 30 2 34 8 -1 9 29 1 9 31 2 10 11 1 10 12 2 11 13 2 12 14 1 13 32 1 14 32 2 15 18 1 15 19 1 16 20 1 16 31 1 17 24 1 17 31 1 18 35 1 19 37 1 20 36 1 21 25 1 38 21 -2 22 26 1 37 22 -1 23 33 1 23 34 1 24 29 1 25 28 1 37 26 -2 27 30 1 33 27 -2 30 32 1 33 38 1 34 36 1 35 36 1 35 38 1 37 38 1', '38 42 H 15.51 -9.08 C:22 14.30 -16.59 C:21 19.17 -9.39 C:21 17.80 -8.46 O 13.09 -14.47 O 17.04 -2.58 O 19.17 -13.61 O 19.17 -10.79 C:114 16.72 -5.05 C:133 17.93 -18.54 C:128 19.17 -17.83 C:128 16.72 -17.83 C:130 19.17 -16.41 C:130 16.72 -16.41 C:25 13.09 -10.09 C:26 15.51 -7.26 C:73 14.41 -5.05 C:21 14.30 -9.39 C:33 13.09 -11.50 C:34 16.77 -7.99 C:62 15.51 -13.11 C:49 14.30 -13.61 C:40 17.99 -11.50 O 14.82 -3.72 O 15.51 -14.47 O 13.09 -12.90 O 16.77 -13.61 C:171 14.30 -15.19 C:176 16.23 -3.72 C:166 17.93 -14.30 C:172 15.51 -5.86 C:131 17.93 -15.70 C:69 16.77 -12.20 C:77 17.99 -10.09 C:41 15.51 -10.09 C:42 16.77 -9.39 C:65 14.30 -12.20 C:45 15.51 -11.50 35 1 -1 2 28 1 34 3 -2 36 4 -2 5 28 2 6 29 2 7 30 2 34 8 -1 9 29 1 9 31 2 10 11 1 10 12 2 11 13 2 12 14 1 13 32 1 14 32 2 15 18 1 15 19 1 16 20 1 16 31 1 17 24 1 17 31 1 18 35 1 19 37 1 20 36 1 21 25 1 38 21 -2 22 26 1 37 22 -1 23 33 1 23 34 1 24 29 1 25 28 1 37 26 -2 27 30 1 33 27 -2 30 32 1 33 38 1 34 36 1 35 36 1 35 38 1 37 38 1', 'C29H36O8', 512.313, 'C', 'ph49_2449_3', 3314, '', '', '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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(12877, 'Cascarillin B', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[CH2:1][CH2:2][C@H:3]1O[C@@:4]1([CH3:18])[C@:5]2([CH3:19])[CH2:6][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@H:8]([CH3:17])[C@:9]3([CH:20]=O)[CH2:11][C:12](=O)[c:13]4[cH:14][cH:15]o[cH:16]4', '[H][C@]23CC[C@H]1O[C@@]1(C)[C@]2(C)C[C@@H](OC(C)=O)[C@@H](C)[C@]3(C=O)CC(=O)c4ccoc4', '[H][C@:49]23[CH2:17][CH2:28][C@H:62]1O[C@@:65]1([CH3:20])[C@:36]2([CH3:19])[CH2:40][C@@H:74](O[C:170]([CH3:22])=O)[C@@H:37]([CH3:14])[C@:56]3([CH:206]=O)[CH2:39][C:194](=O)[c:129]4[cH:109][cH:145]o[cH:148]4', '29 32 H 14.93 -10.71 C:7002 19.86 -15.96 C:17 18.63 -11.02 C:19 14.93 -14.57 C:18 13.71 -15.32 O 18.55 -10.24 O 17.42 -15.96 O 13.71 -9.55 C:20 17.23 -10.08 C:15 15.63 -5.26 C:14 16.07 -6.60 C:16 13.79 -6.60 C:2 12.45 -11.74 C:1 13.71 -11.02 C:11 16.15 -9.55 C:6 16.15 -13.90 O 18.63 -13.90 O 12.68 -14.57 O 14.22 -5.26 C:7001 18.63 -15.26 C:12 14.93 -8.87 C:13 14.93 -7.44 C:8 17.42 -11.74 C:7 17.42 -13.16 C:3 12.45 -13.16 C:10 14.93 -11.74 C:5 14.93 -13.16 C:4 13.71 -13.90 C:9 16.15 -11.02 26 1 -1 2 20 1 23 3 -2 27 4 -2 28 5 -1 6 9 2 7 20 2 8 21 2 29 9 -2 10 11 2 10 19 1 11 22 1 12 19 1 12 22 2 13 14 1 13 25 1 14 26 1 15 21 1 15 29 1 16 24 1 16 27 1 17 20 1 24 17 -2 25 18 -2 28 18 -2 21 22 1 23 24 1 23 29 1 25 28 1 26 27 1 26 29 1 27 28 1', '29 32 H 14.93 -10.71 C 19.86 -15.96 C 18.63 -11.02 C 14.93 -14.57 C 13.71 -15.32 O 18.55 -10.24 O 17.42 -15.96 O 13.71 -9.55 C 17.23 -10.08 C 15.63 -5.26 C 16.07 -6.60 C 13.79 -6.60 C 12.45 -11.74 C 13.71 -11.02 C 16.15 -9.55 C 16.15 -13.90 O 18.63 -13.90 O 12.68 -14.57 O 14.22 -5.26 C 18.63 -15.26 C 14.93 -8.87 C 14.93 -7.44 C 17.42 -11.74 C 17.42 -13.16 C 12.45 -13.16 C 14.93 -11.74 C 14.93 -13.16 C 13.71 -13.90 C 16.15 -11.02 26 1 -1 2 20 1 23 3 -2 27 4 -2 28 5 -1 6 9 2 7 20 2 8 21 2 29 9 -2 10 11 2 10 19 1 11 22 1 12 19 1 12 22 2 13 14 1 13 25 1 14 26 1 15 21 1 15 29 1 16 24 1 16 27 1 17 20 1 24 17 -2 25 18 -2 28 18 -2 21 22 1 23 24 1 23 29 1 25 28 1 26 27 1 26 29 1 27 28 1', '29 32 H 14.93 -10.71 C:22 19.86 -15.96 C:14 18.63 -11.02 C:19 14.93 -14.57 C:20 13.71 -15.32 O 18.55 -10.24 O 17.42 -15.96 O 13.71 -9.55 C:206 17.23 -10.08 C:145 15.63 -5.26 C:109 16.07 -6.60 C:148 13.79 -6.60 C:28 12.45 -11.74 C:17 13.71 -11.02 C:39 16.15 -9.55 C:40 16.15 -13.90 O 18.63 -13.90 O 12.68 -14.57 O 14.22 -5.26 C:170 18.63 -15.26 C:194 14.93 -8.87 C:129 14.93 -7.44 C:37 17.42 -11.74 C:74 17.42 -13.16 C:62 12.45 -13.16 C:49 14.93 -11.74 C:36 14.93 -13.16 C:65 13.71 -13.90 C:56 16.15 -11.02 26 1 -1 2 20 1 23 3 -2 27 4 -2 28 5 -1 6 9 2 7 20 2 8 21 2 29 9 -2 10 11 2 10 19 1 11 22 1 12 19 1 12 22 2 13 14 1 13 25 1 14 26 1 15 21 1 15 29 1 16 24 1 16 27 1 17 20 1 24 17 -2 25 18 -2 28 18 -2 21 22 1 23 24 1 23 29 1 25 28 1 26 27 1 26 29 1 27 28 1', 'C22H28O6', 388.24, 'C', 'ph57_1209_1', 3320, '', '', '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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(12892, '11-Hydroxyfruticolone', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]23[C@@H:1](O)[CH2:2][CH2:3][C@:4]1([CH2:18]O1)[C@:5]2([CH2:19]O[C:19001]([CH3:19002])=O)[C:6](=O)[CH2:7][C@@H:8]([CH3:17])[C@:9]3([CH3:20])[CH:11](O)[CH2:12][c:13]4[cH:14][cH:15]o[cH:16]4', '[H][C@]23[C@@H](O)CC[C@]1(CO1)[C@]2(COC(C)=O)C(=O)C[C@@H](C)[C@]3(C)C(O)Cc4ccoc4', '[H][C@:50]23[C@@H:67](O)[CH2:34][CH2:28][C@:62]1([CH2:49]O1)[C@:55]2([CH2:65]O[C:171]([CH3:21])=O)[C:207](=O)[CH2:46][C@@H:36]([CH3:17])[C@:43]3([CH3:17])[CH:78](O)[CH2:26][c:121]4[cH:111][cH:144]o[cH:140]4', '30 33 H 15.50 -9.52 C:19002 14.30 -17.02 C:17 19.19 -9.82 C:20 17.81 -8.90 O 13.09 -14.91 O 16.75 -14.05 O 14.30 -8.40 O 18.00 -7.70 C:15 16.22 -4.18 C:14 16.67 -5.49 C:16 14.41 -5.49 C:2 13.09 -10.54 C:3 13.09 -11.94 C:18 14.30 -14.05 C:19 15.50 -13.54 C:7 18.00 -11.94 C:12 15.50 -7.70 O 15.50 -14.91 O 13.09 -13.33 O 14.82 -4.18 C:19001 14.30 -15.62 C:6 16.75 -12.64 C:13 15.50 -6.29 C:8 18.00 -10.54 C:1 14.30 -9.82 C:11 16.75 -8.40 C:10 15.50 -10.54 C:4 14.30 -12.64 C:9 16.75 -9.82 C:5 15.50 -11.94 27 1 -1 2 21 1 24 3 -2 29 4 -2 5 21 2 6 22 2 25 7 -2 8 26 1 9 10 2 9 20 1 10 23 1 11 20 1 11 23 2 12 13 1 12 25 1 13 28 1 14 19 1 28 14 -1 15 18 1 30 15 -2 16 22 1 16 24 1 17 23 1 17 26 1 18 21 1 28 19 -2 22 30 1 24 29 1 25 27 1 26 29 1 27 29 1 27 30 1 28 30 1', '30 33 H 15.50 -9.52 C 14.30 -17.02 C 19.19 -9.82 C 17.81 -8.90 O 13.09 -14.91 O 16.75 -14.05 O 14.30 -8.40 O 18.00 -7.70 C 16.22 -4.18 C 16.67 -5.49 C 14.41 -5.49 C 13.09 -10.54 C 13.09 -11.94 C 14.30 -14.05 C 15.50 -13.54 C 18.00 -11.94 C 15.50 -7.70 O 15.50 -14.91 O 13.09 -13.33 O 14.82 -4.18 C 14.30 -15.62 C 16.75 -12.64 C 15.50 -6.29 C 18.00 -10.54 C 14.30 -9.82 C 16.75 -8.40 C 15.50 -10.54 C 14.30 -12.64 C 16.75 -9.82 C 15.50 -11.94 27 1 -1 2 21 1 24 3 -2 29 4 -2 5 21 2 6 22 2 25 7 -2 8 26 1 9 10 2 9 20 1 10 23 1 11 20 1 11 23 2 12 13 1 12 25 1 13 28 1 14 19 1 28 14 -1 15 18 1 30 15 -2 16 22 1 16 24 1 17 23 1 17 26 1 18 21 1 28 19 -2 22 30 1 24 29 1 25 27 1 26 29 1 27 29 1 27 30 1 28 30 1', '30 33 H 15.50 -9.52 C:21 14.30 -17.02 C:17 19.19 -9.82 C:17 17.81 -8.90 O 13.09 -14.91 O 16.75 -14.05 O 14.30 -8.40 O 18.00 -7.70 C:144 16.22 -4.18 C:111 16.67 -5.49 C:140 14.41 -5.49 C:34 13.09 -10.54 C:28 13.09 -11.94 C:49 14.30 -14.05 C:65 15.50 -13.54 C:46 18.00 -11.94 C:26 15.50 -7.70 O 15.50 -14.91 O 13.09 -13.33 O 14.82 -4.18 C:171 14.30 -15.62 C:207 16.75 -12.64 C:121 15.50 -6.29 C:36 18.00 -10.54 C:67 14.30 -9.82 C:78 16.75 -8.40 C:50 15.50 -10.54 C:62 14.30 -12.64 C:43 16.75 -9.82 C:55 15.50 -11.94 27 1 -1 2 21 1 24 3 -2 29 4 -2 5 21 2 6 22 2 25 7 -2 8 26 1 9 10 2 9 20 1 10 23 1 11 20 1 11 23 2 12 13 1 12 25 1 13 28 1 14 19 1 28 14 -1 15 18 1 30 15 -2 16 22 1 16 24 1 17 23 1 17 26 1 18 21 1 28 19 -2 22 30 1 24 29 1 25 27 1 26 29 1 27 29 1 27 30 1 28 30 1', 'C22H30O7', 406.239, 'C', 'ph65_387_5', 3323, '', '', '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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(12905, 'Salvigreside D', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]13[CH2:1][CH2:2][CH:3]=[C:4]([CH3:18])[C@:5]1([CH3:19])[C@@H:6](O[C@@H:101]2O[C@H:105]([CH2:106]O[C:106001]([CH3:106002])=O)[C@@H:104](O)[C@H:103](O)[C@H:102]2O)[CH2:7][C@@H:8]([CH3:17])[C@:9]3([CH3:20])[CH2:11][CH2:12][c:13]4[cH:14][cH:15]o[cH:16]4', '[H][C@]13CCC=C(C)[C@]1(C)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H](C)[C@]3(C)CCc4ccoc4', '[H][C@:47]13[CH2:19][CH2:28][CH:123]=[C:146]([CH3:16])[C@:46]1([CH3:17])[C@@H:87](O[C@@H:104]2O[C@H:75]([CH2:65]O[C:173]([CH3:21])=O)[C@@H:72](O)[C@H:78](O)[C@H:76]2O)[CH2:37][C@@H:36]([CH3:24])[C@:39]3([CH3:18])[CH2:40][CH2:19][c:127]4[cH:112][cH:144]o[cH:140]4', '37 40 H 13.09 -8.84 C:106002 20.36 -10.05 C:18 11.86 -13.42 C:17 16.79 -9.15 C:20 15.45 -8.24 C:19 13.09 -12.72 O 21.56 -12.15 O 16.58 -17.67 O 19.07 -16.31 O 14.21 -16.24 C:3 10.66 -11.30 C:15 13.79 -3.52 C:14 14.21 -4.85 C:16 11.95 -4.85 C:2 10.66 -9.87 C:12 13.09 -7.06 C:1 11.86 -9.15 C:11 14.27 -7.75 C:106 19.14 -13.55 C:7 15.59 -11.30 O 19.14 -12.15 O 16.71 -13.48 O 14.27 -13.42 O 12.39 -3.52 C:106001 20.36 -11.45 C:4 11.86 -12.01 C:13 13.09 -5.67 C:8 15.59 -9.87 C:103 16.63 -16.24 C:104 17.86 -15.60 C:102 15.45 -15.54 C:105 17.86 -14.22 C:6 14.27 -12.01 C:101 15.45 -14.12 C:10 13.09 -9.87 C:9 14.27 -9.15 C:5 13.09 -11.30 35 1 -1 2 25 1 3 26 1 28 4 -2 36 5 -2 37 6 -2 7 25 2 29 8 -2 30 9 -1 31 10 -1 11 15 1 11 26 2 12 13 2 12 24 1 13 27 1 14 24 1 14 27 2 15 17 1 16 18 1 16 27 1 17 35 1 18 36 1 19 21 1 32 19 -2 20 28 1 20 33 1 21 25 1 22 32 1 22 34 1 33 23 -2 34 23 -2 26 37 1 28 36 1 29 30 1 29 31 1 30 32 1 31 34 1 33 37 1 35 36 1 35 37 1', '37 40 H 13.09 -8.84 C 20.36 -10.05 C 11.86 -13.42 C 16.79 -9.15 C 15.45 -8.24 C 13.09 -12.72 O 21.56 -12.15 O 16.58 -17.67 O 19.07 -16.31 O 14.21 -16.24 C 10.66 -11.30 C 13.79 -3.52 C 14.21 -4.85 C 11.95 -4.85 C 10.66 -9.87 C 13.09 -7.06 C 11.86 -9.15 C 14.27 -7.75 C 19.14 -13.55 C 15.59 -11.30 O 19.14 -12.15 O 16.71 -13.48 O 14.27 -13.42 O 12.39 -3.52 C 20.36 -11.45 C 11.86 -12.01 C 13.09 -5.67 C 15.59 -9.87 C 16.63 -16.24 C 17.86 -15.60 C 15.45 -15.54 C 17.86 -14.22 C 14.27 -12.01 C 15.45 -14.12 C 13.09 -9.87 C 14.27 -9.15 C 13.09 -11.30 35 1 -1 2 25 1 3 26 1 28 4 -2 36 5 -2 37 6 -2 7 25 2 29 8 -2 30 9 -1 31 10 -1 11 15 1 11 26 2 12 13 2 12 24 1 13 27 1 14 24 1 14 27 2 15 17 1 16 18 1 16 27 1 17 35 1 18 36 1 19 21 1 32 19 -2 20 28 1 20 33 1 21 25 1 22 32 1 22 34 1 33 23 -2 34 23 -2 26 37 1 28 36 1 29 30 1 29 31 1 30 32 1 31 34 1 33 37 1 35 36 1 35 37 1', '37 40 H 13.09 -8.84 C:21 20.36 -10.05 C:16 11.86 -13.42 C:24 16.79 -9.15 C:18 15.45 -8.24 C:17 13.09 -12.72 O 21.56 -12.15 O 16.58 -17.67 O 19.07 -16.31 O 14.21 -16.24 C:123 10.66 -11.30 C:144 13.79 -3.52 C:112 14.21 -4.85 C:140 11.95 -4.85 C:28 10.66 -9.87 C:19 13.09 -7.06 C:19 11.86 -9.15 C:40 14.27 -7.75 C:65 19.14 -13.55 C:37 15.59 -11.30 O 19.14 -12.15 O 16.71 -13.48 O 14.27 -13.42 O 12.39 -3.52 C:173 20.36 -11.45 C:146 11.86 -12.01 C:127 13.09 -5.67 C:36 15.59 -9.87 C:78 16.63 -16.24 C:72 17.86 -15.60 C:76 15.45 -15.54 C:75 17.86 -14.22 C:87 14.27 -12.01 C:104 15.45 -14.12 C:47 13.09 -9.87 C:39 14.27 -9.15 C:46 13.09 -11.30 35 1 -1 2 25 1 3 26 1 28 4 -2 36 5 -2 37 6 -2 7 25 2 29 8 -2 30 9 -1 31 10 -1 11 15 1 11 26 2 12 13 2 12 24 1 13 27 1 14 24 1 14 27 2 15 17 1 16 18 1 16 27 1 17 35 1 18 36 1 19 21 1 32 19 -2 20 28 1 20 33 1 21 25 1 22 32 1 22 34 1 33 23 -2 34 23 -2 26 37 1 28 36 1 29 30 1 29 31 1 30 32 1 31 34 1 33 37 1 35 36 1 35 37 1', 'C28H42O8', 506.303, 'M', 'ph65_2577_4', 3326, '', '', '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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(12907, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@:10]12[CH2:1][CH2:2][CH:3]=[C:4]([C:18](=O)O[CH3:18001])[C@:5]1([CH3:19])[C@@H:6](O)[C@@H:7](O)[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', '[H][C@]12CCC=C(C(=O)OC)[C@]1(C)[C@@H](O)[C@@H](O)[C@@H](C)[C@]2(C)CCC3=CC(=O)OC3', '[H][C@:46]12[CH2:17][CH2:27][CH:141]=[C:142]([C:174](=O)O[CH3:53])[C@:45]1([CH3:18])[C@@H:75](O)[C@@H:75](O)[C@@H:37]([CH3:12])[C@:38]2([CH3:20])[CH2:38][CH2:22][C:170]3=[CH:115][C:171](=O)O[CH2:73]3', '28 30 H 15.48 -10.53 C:18001 13.06 -17.20 C:17 19.18 -10.83 C:20 17.78 -9.90 C:19 15.48 -14.41 O 17.00 -3.99 O 15.48 -15.80 O 19.18 -13.69 O 16.67 -15.10 C:3 13.06 -12.98 C:14 16.62 -6.45 C:2 13.06 -11.56 C:12 15.48 -8.69 C:16 14.36 -6.45 C:1 14.28 -10.83 C:11 16.67 -9.42 O 13.06 -15.80 O 14.78 -5.12 C:15 16.18 -5.12 C:18 14.28 -15.10 C:13 15.48 -7.28 C:4 14.28 -13.69 C:8 17.97 -11.56 C:7 17.97 -12.98 C:6 16.67 -13.69 C:10 15.48 -11.56 C:9 16.67 -10.83 C:5 15.48 -12.98 26 1 -1 2 17 1 23 3 -2 27 4 -2 28 5 -2 6 19 2 7 20 2 24 8 -2 25 9 -2 10 12 1 10 22 2 11 19 1 11 21 2 12 15 1 13 16 1 13 21 1 14 18 1 14 21 1 15 26 1 16 27 1 17 20 1 18 19 1 20 22 1 22 28 1 23 24 1 23 27 1 24 25 1 25 28 1 26 27 1 26 28 1', '28 30 H 15.48 -10.53 C 13.06 -17.20 C 19.18 -10.83 C 17.78 -9.90 C 15.48 -14.41 O 17.00 -3.99 O 15.48 -15.80 O 19.18 -13.69 O 16.67 -15.10 C 13.06 -12.98 C 16.62 -6.45 C 13.06 -11.56 C 15.48 -8.69 C 14.36 -6.45 C 14.28 -10.83 C 16.67 -9.42 O 13.06 -15.80 O 14.78 -5.12 C 16.18 -5.12 C 14.28 -15.10 C 15.48 -7.28 C 14.28 -13.69 C 17.97 -11.56 C 17.97 -12.98 C 16.67 -13.69 C 15.48 -11.56 C 16.67 -10.83 C 15.48 -12.98 26 1 -1 2 17 1 23 3 -2 27 4 -2 28 5 -2 6 19 2 7 20 2 24 8 -2 25 9 -2 10 12 1 10 22 2 11 19 1 11 21 2 12 15 1 13 16 1 13 21 1 14 18 1 14 21 1 15 26 1 16 27 1 17 20 1 18 19 1 20 22 1 22 28 1 23 24 1 23 27 1 24 25 1 25 28 1 26 27 1 26 28 1', '28 30 H 15.48 -10.53 C:53 13.06 -17.20 C:12 19.18 -10.83 C:20 17.78 -9.90 C:18 15.48 -14.41 O 17.00 -3.99 O 15.48 -15.80 O 19.18 -13.69 O 16.67 -15.10 C:141 13.06 -12.98 C:115 16.62 -6.45 C:27 13.06 -11.56 C:22 15.48 -8.69 C:73 14.36 -6.45 C:17 14.28 -10.83 C:38 16.67 -9.42 O 13.06 -15.80 O 14.78 -5.12 C:171 16.18 -5.12 C:174 14.28 -15.10 C:170 15.48 -7.28 C:142 14.28 -13.69 C:37 17.97 -11.56 C:75 17.97 -12.98 C:75 16.67 -13.69 C:46 15.48 -11.56 C:38 16.67 -10.83 C:45 15.48 -12.98 26 1 -1 2 17 1 23 3 -2 27 4 -2 28 5 -2 6 19 2 7 20 2 24 8 -2 25 9 -2 10 12 1 10 22 2 11 19 1 11 21 2 12 15 1 13 16 1 13 21 1 14 18 1 14 21 1 15 26 1 16 27 1 17 20 1 18 19 1 20 22 1 22 28 1 23 24 1 23 27 1 24 25 1 25 28 1 26 27 1 26 28 1', 'C21H30O6', 378.229, 'C', 'ph66_633_2', 3327, '', '', '1', 1, NULL, NULL),
(12908, '', '', 'Terpenoids', 'Diterpenoids', 'Clerodanes', '[H][C@@:10]14[CH2:1][CH2:2][CH:3]=[C:4]3[C:18](=O)O[C@H:7]([C@@H:8]([CH3:17])[C@:9]1([CH3:20])[CH2:11][CH2:12][C:13]2=[CH:14][C:15](=O)O[CH2:16]2)[C@H:6](O)[C@@:5]34[CH3:19]', '[H][C@@]14CCC=C3C(=O)O[C@H]([C@@H](C)[C@]1(C)CCC2=CC(=O)OC2)[C@H](O)[C@@]34C', '[H][C@@:46]14[CH2:18][CH2:27][CH:130]=[C:140]3[C:174](=O)O[C@H:88]([C@@H:37]([CH3:12])[C@:40]1([CH3:20])[CH2:42][CH2:23][C:170]2=[CH:116][C:170](=O)O[CH2:72]2)[C@H:73](O)[C@@:42]34[CH3:17]', '26 29 H 15.53 -10.83 C:17 18.95 -11.10 C:20 17.66 -10.26 C:19 15.53 -14.38 O 16.92 -4.80 O 13.60 -16.37 O 16.64 -15.01 C:3 13.31 -13.07 C:14 16.64 -7.07 C:2 13.31 -11.76 C:12 15.53 -9.14 C:16 14.50 -7.07 C:1 14.42 -11.10 C:11 16.64 -9.81 O 14.88 -5.84 O 17.40 -15.52 C:15 16.18 -5.84 C:18 14.72 -15.52 C:13 15.53 -7.83 C:4 14.42 -13.71 C:8 17.81 -11.76 C:6 16.64 -13.71 C:7 17.81 -13.07 C:10 15.53 -11.76 C:9 16.64 -11.10 C:5 15.53 -13.07 24 1 -1 21 2 -2 25 3 -2 26 4 -2 5 17 2 6 18 2 22 7 -2 8 10 1 8 20 2 9 17 1 9 19 2 10 13 1 11 14 1 11 19 1 12 15 1 12 19 1 13 24 1 14 25 1 15 17 1 16 18 1 23 16 -1 18 20 1 20 26 1 21 23 1 21 25 1 22 23 1 22 26 1 24 25 1 24 26 1', '26 29 H 15.53 -10.83 C 18.95 -11.10 C 17.66 -10.26 C 15.53 -14.38 O 16.92 -4.80 O 13.60 -16.37 O 16.64 -15.01 C 13.31 -13.07 C 16.64 -7.07 C 13.31 -11.76 C 15.53 -9.14 C 14.50 -7.07 C 14.42 -11.10 C 16.64 -9.81 O 14.88 -5.84 O 17.40 -15.52 C 16.18 -5.84 C 14.72 -15.52 C 15.53 -7.83 C 14.42 -13.71 C 17.81 -11.76 C 16.64 -13.71 C 17.81 -13.07 C 15.53 -11.76 C 16.64 -11.10 C 15.53 -13.07 24 1 -1 21 2 -2 25 3 -2 26 4 -2 5 17 2 6 18 2 22 7 -2 8 10 1 8 20 2 9 17 1 9 19 2 10 13 1 11 14 1 11 19 1 12 15 1 12 19 1 13 24 1 14 25 1 15 17 1 16 18 1 23 16 -1 18 20 1 20 26 1 21 23 1 21 25 1 22 23 1 22 26 1 24 25 1 24 26 1', '26 29 H 15.53 -10.83 C:12 18.95 -11.10 C:20 17.66 -10.26 C:17 15.53 -14.38 O 16.92 -4.80 O 13.60 -16.37 O 16.64 -15.01 C:130 13.31 -13.07 C:116 16.64 -7.07 C:27 13.31 -11.76 C:23 15.53 -9.14 C:72 14.50 -7.07 C:18 14.42 -11.10 C:42 16.64 -9.81 O 14.88 -5.84 O 17.40 -15.52 C:170 16.18 -5.84 C:174 14.72 -15.52 C:170 15.53 -7.83 C:140 14.42 -13.71 C:37 17.81 -11.76 C:73 16.64 -13.71 C:88 17.81 -13.07 C:46 15.53 -11.76 C:40 16.64 -11.10 C:42 15.53 -13.07 24 1 -1 21 2 -2 25 3 -2 26 4 -2 5 17 2 6 18 2 22 7 -2 8 10 1 8 20 2 9 17 1 9 19 2 10 13 1 11 14 1 11 19 1 12 15 1 12 19 1 13 24 1 14 25 1 15 17 1 16 18 1 23 16 -1 18 20 1 20 26 1 21 23 1 21 25 1 22 23 1 22 26 1 24 25 1 24 26 1', 'C20H26O5', 346.219, 'C', 'ph66_633_3', 3327, '', '', '1', 1, NULL, NULL),
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-11.65 C:72 17.69 -12.24 C:45 16.44 -10.55 C:48 18.99 -11.07 C:47 18.99 -9.65 C:78 15.81 -11.65 C:82 20.23 -11.80 53 1 -2 2 35 1 3 36 1 4 37 1 5 38 1 6 39 1 7 40 1 8 41 1 52 9 -2 52 10 -1 54 11 -1 12 35 2 13 36 2 14 37 2 15 38 2 16 39 2 17 40 2 18 42 2 55 19 -1 20 21 1 20 22 2 21 23 2 22 24 1 23 44 1 24 44 2 25 27 1 56 25 -1 26 45 1 26 46 1 46 27 -1 28 35 1 45 28 -1 29 36 1 47 29 -2 30 37 1 48 30 -1 31 38 1 49 31 -2 32 39 1 51 32 -2 33 42 1 50 33 -1 34 40 1 56 34 -2 41 43 2 41 47 1 42 44 1 43 48 1 43 52 1 45 54 1 46 56 1 47 50 1 48 49 1 49 54 1 50 55 1 51 53 1 51 55 1 52 55 1 53 54 1 53 56 1', 'C39H48O16', 772.416, 'A', 'np04_905_1', 3331, '', '', '1', 1, NULL, NULL),
(12919, '14β-Benzoyloxy-13-deacetylbaccatin IV', '', 'Terpenoids', 'Diterpenoids', 'Taxanes', '[H][C@:3]24[C@H:2](O[C:2001]([CH3:2002])=O)[C@:1]5(O)[C@@H:14](O[C:14001](=O)[c:14002]1[cH:14003][cH:14004][cH:14005][cH:14006][cH:14007]1)[C@H:13](O)[C:12]([CH3:18])=[C:11]([C@@H:10](O[C:10001]([CH3:10002])=O)[C@H:9](O[C:9001]([CH3:9002])=O)[C@:8]2([CH3:19])[C@@H:7](O[C:7001]([CH3:7002])=O)[CH2:6][C@H:5]3O[CH2:20][C@:4]34O[C:4001]([CH3:4002])=O)[C@:15]5([CH3:17])[CH3:16]', '[H][C@]24[C@H](OC(C)=O)[C@]5(O)[C@@H](OC(=O)c1ccccc1)[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@H]3OC[C@]34OC(C)=O)[C@]5(C)C', '[H][C@:48]24[C@H:73](O[C:171]([CH3:21])=O)[C@:78]5(O)[C@@H:77](O[C:166](=O)[c:132]1[cH:131][cH:129][cH:134][cH:129][cH:131]1)[C@H:76](O)[C:144]([CH3:16])=[C:135]([C@@H:72](O[C:171]([CH3:23])=O)[C@H:75](O[C:169]([CH3:21])=O)[C@:47]2([CH3:13])[C@@H:73](O[C:170]([CH3:21])=O)[CH2:35][C@H:84]3O[CH2:76][C@:81]34O[C:171]([CH3:21])=O)[C@:43]5([CH3:24])[CH3:29]', '53 57 H 19.12 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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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19.13 -12.08 C:7002 21.44 -5.43 C:13002 10.41 -9.31 C:10002 13.87 -5.84 C:9002 18.88 -4.68 C:4002 19.78 -15.47 C:18 13.79 -8.13 C:16 17.69 -9.93 C:17 17.61 -11.29 C:19 19.31 -8.24 O 22.65 -7.52 O 12.47 -8.13 O 13.67 -7.46 O 16.79 -5.84 O 21.78 -14.11 O 11.63 -11.65 O 18.11 -13.56 O 15.67 -13.04 C:14005 10.24 -16.44 C:14006 11.63 -16.44 C:14004 9.57 -15.23 C:14007 12.34 -15.23 C:14003 10.24 -14.03 C:20 20.94 -13.04 C:6 21.44 -9.65 O 22.16 -12.31 O 20.23 -7.52 O 12.47 -10.55 O 16.00 -7.05 O 18.88 -7.11 O 13.79 -12.87 O 19.61 -13.04 C:7001 21.44 -6.84 C:13001 11.80 -9.31 C:10001 14.61 -7.05 C:9001 18.18 -5.84 C:4001 20.40 -14.21 C:12 14.51 -9.41 C:14001 12.34 -12.87 C:11 15.81 -9.41 C:14002 11.63 -14.03 C:2 17.69 -12.24 C:5 21.44 -11.07 C:7 20.23 -8.93 C:13 13.87 -10.55 C:10 16.60 -8.31 C:9 18.18 -8.31 C:14 14.51 -11.65 C:15 16.44 -10.55 C:3 18.99 -11.07 C:8 18.99 -9.65 C:1 15.81 -11.65 C:4 20.23 -11.80 50 1 -2 2 33 1 3 34 1 4 35 1 5 36 1 6 37 1 7 38 1 49 8 -2 49 9 -1 51 10 -1 11 33 2 12 34 2 13 35 2 14 36 2 15 37 2 16 39 2 42 17 -2 52 18 -1 19 20 1 19 21 2 20 22 2 21 23 1 22 41 1 23 41 2 24 26 1 53 24 -1 25 43 1 25 44 1 43 26 -1 27 33 1 44 27 -1 28 34 1 45 28 -2 29 35 1 46 29 -1 30 36 1 47 30 -2 31 39 1 48 31 -1 32 37 1 53 32 -2 38 40 2 38 45 1 39 41 1 40 46 1 40 49 1 42 50 1 42 52 1 43 53 1 44 51 1 45 48 1 46 47 1 47 51 1 48 52 1 49 52 1 50 51 1 50 53 1', '53 57 H 19.13 -12.08 C 21.44 -5.43 C 10.41 -9.31 C 13.87 -5.84 C 18.88 -4.68 C 19.78 -15.47 C 13.79 -8.13 C 17.69 -9.93 C 17.61 -11.29 C 19.31 -8.24 O 22.65 -7.52 O 12.47 -8.13 O 13.67 -7.46 O 16.79 -5.84 O 21.78 -14.11 O 11.63 -11.65 O 18.11 -13.56 O 15.67 -13.04 C 10.24 -16.44 C 11.63 -16.44 C 9.57 -15.23 C 12.34 -15.23 C 10.24 -14.03 C 20.94 -13.04 C 21.44 -9.65 O 22.16 -12.31 O 20.23 -7.52 O 12.47 -10.55 O 16.00 -7.05 O 18.88 -7.11 O 13.79 -12.87 O 19.61 -13.04 C 21.44 -6.84 C 11.80 -9.31 C 14.61 -7.05 C 18.18 -5.84 C 20.40 -14.21 C 14.51 -9.41 C 12.34 -12.87 C 15.81 -9.41 C 11.63 -14.03 C 17.69 -12.24 C 21.44 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23.29 -13.53 C:6 23.80 -10.11 C:14 16.85 -12.21 N 12.58 -7.58 O 24.50 -12.82 O 18.15 -7.70 O 14.81 -11.11 O 18.99 -13.69 O 21.95 -13.59 C:10001 18.68 -6.39 C:4001 22.75 -14.75 C:12 16.85 -9.98 C:2001 19.53 -14.98 C:13302 11.84 -6.39 C:13001 14.05 -9.93 C:9 20.52 -8.85 C:11 18.15 -9.98 C:2002 18.68 -16.10 C:13004 10.53 -8.85 C:13304 11.75 -4.01 C:7 22.56 -9.42 C:13002 12.67 -9.98 C:13 16.20 -11.11 C:5 23.80 -11.58 C:10 18.99 -8.85 C:13003 11.93 -8.85 C:2 20.03 -12.75 C:15 18.78 -11.11 C:13303 12.50 -5.15 C:3 21.34 -11.58 C:8 21.34 -10.11 C:1 18.15 -12.21 C:4 22.56 -12.32 60 1 -2 2 40 1 3 41 1 4 42 1 5 50 1 58 6 -1 58 7 -2 59 8 -1 61 9 -1 10 40 2 11 41 2 12 43 2 13 44 2 14 45 2 15 46 2 51 16 -2 52 17 -2 62 18 -1 50 19 -1 59 20 -2 21 23 2 21 24 1 22 25 1 22 26 2 23 27 1 24 28 2 25 29 2 26 30 1 27 48 2 28 48 1 29 49 1 30 49 2 31 35 1 63 31 -1 32 51 1 32 54 1 33 53 1 33 62 1 34 44 1 56 34 -2 54 35 -1 36 40 1 55 36 -1 37 45 1 53 37 -2 38 43 1 57 38 -2 39 41 1 63 39 -2 42 47 2 42 53 1 43 48 1 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23.29 -13.53 C:6 23.80 -10.11 C:14 16.85 -12.21 N 12.58 -7.58 O 24.50 -12.82 O 18.15 -7.70 O 14.81 -11.11 O 18.99 -13.69 O 21.95 -13.59 C:10001 18.68 -6.39 C:4001 22.75 -14.75 C:12 16.85 -9.98 C:2001 19.53 -14.98 C:13302 11.84 -6.39 C:13001 14.05 -9.93 C:9 20.52 -8.85 C:11 18.15 -9.98 C:2002 18.68 -16.11 C:13004 10.53 -8.85 C:13304 11.75 -3.96 C:7 22.56 -9.42 C:13002 12.67 -9.98 C:13 16.21 -11.11 C:5 23.80 -11.58 C:10 18.99 -8.85 C:13003 11.93 -8.85 C:2 20.03 -12.75 C:15 18.78 -11.11 C:13303 12.50 -5.15 C:3 21.34 -11.58 C:8 21.34 -10.11 C:1 18.15 -12.21 C:4 22.56 -12.32 60 1 -2 2 40 1 3 41 1 4 42 1 5 50 1 58 6 -1 58 7 -2 59 8 -1 61 9 -1 10 40 2 11 41 2 12 43 2 13 44 2 14 45 2 15 46 2 51 16 -1 52 17 -2 62 18 -1 50 19 -1 59 20 -2 21 23 2 21 24 1 22 25 1 22 26 2 23 27 1 24 28 2 25 29 2 26 30 1 27 48 2 28 48 1 29 49 1 30 49 2 31 35 1 63 31 -1 32 51 1 32 54 1 33 53 1 33 62 1 34 44 1 56 34 -2 54 35 -1 36 40 1 55 36 -1 37 45 1 53 37 -2 38 43 1 57 38 -2 39 41 1 63 39 -2 42 47 2 42 53 1 43 48 1 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8.46 -10.11 C:129 8.39 -7.70 C:130 17.31 -15.93 C:130 19.22 -17.39 C:127 9.85 -10.11 C:127 9.79 -7.70 C 23.29 -13.53 C 23.80 -10.11 C 16.85 -12.21 N 12.58 -7.58 O 24.50 -12.82 O 18.15 -7.70 O 14.81 -11.11 O 18.99 -13.69 O 21.95 -13.59 C:172 18.68 -6.39 C:170 22.75 -14.75 C:142 16.85 -9.98 C 19.53 -14.98 C:169 11.84 -6.39 C 14.05 -9.93 C:204 20.52 -8.85 C:134 18.15 -9.98 C:129 18.68 -16.11 C:129 10.53 -8.85 C:55 11.75 -3.96 C:72 22.56 -9.42 C 12.67 -9.98 C 16.21 -11.11 C 23.80 -11.58 C 18.99 -8.85 C:55 11.93 -8.85 C:73 20.03 -12.75 C 18.78 -11.11 C:59 12.50 -5.15 C 21.34 -11.58 C 21.34 -10.11 C 18.15 -12.21 C 22.56 -12.32 60 1 -2 2 40 1 3 41 1 4 42 1 5 50 1 58 6 -1 58 7 -2 59 8 -1 61 9 -1 10 40 2 11 41 2 12 43 2 13 44 2 14 45 2 15 46 2 51 16 -1 52 17 -2 62 18 -1 50 19 -1 59 20 -2 21 23 2 21 24 1 22 25 1 22 26 2 23 27 1 24 28 2 25 29 2 26 30 1 27 48 2 28 48 1 29 49 1 30 49 2 31 35 1 63 31 -1 32 51 1 32 54 1 33 53 1 33 62 1 34 44 1 56 34 -2 54 35 -1 36 40 1 55 36 -1 37 45 1 53 37 -2 38 43 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23.29 -13.53 C:6 23.80 -10.11 C:14 16.85 -12.21 N 12.58 -7.58 O 24.50 -12.82 O 18.15 -7.70 O 14.81 -11.11 O 18.99 -13.69 O 21.95 -13.59 C:10001 18.68 -6.39 C:4001 22.75 -14.75 C:12 16.85 -9.98 C:2001 19.53 -14.98 C:13302 11.84 -6.39 C:13001 14.05 -9.93 C:9 20.52 -8.85 C:11 18.15 -9.98 C:2002 18.68 -16.11 C:13004 10.53 -8.85 C:13304 11.75 -3.96 C:7 22.56 -9.42 C:13002 12.67 -9.98 C:13 16.21 -11.11 C:5 23.80 -11.58 C:10 18.99 -8.85 C:13003 11.93 -8.85 C:2 20.03 -12.75 C:15 18.78 -11.11 C:13303 12.50 -5.15 C:3 21.34 -11.58 C:8 21.34 -10.11 C:1 18.15 -12.21 C:4 22.56 -12.32 60 1 -2 2 40 1 3 41 1 4 42 1 5 50 1 58 6 -2 58 7 -1 59 8 -2 61 9 -1 10 40 2 11 41 2 12 43 2 13 44 2 14 45 2 15 46 2 51 16 -1 52 17 -2 62 18 -1 50 19 -1 59 20 -1 21 23 1 21 24 2 22 25 2 22 26 1 23 27 2 24 28 1 25 29 1 26 30 2 27 48 1 28 48 2 29 49 2 30 49 1 31 35 1 63 31 -1 32 51 1 32 54 1 33 53 1 33 62 1 34 44 1 56 34 -2 54 35 -1 36 40 1 55 36 -1 37 45 1 53 37 -2 38 43 1 57 38 -2 39 41 1 63 39 -2 42 47 2 42 53 1 43 48 1 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-7.70 C:129 8.46 -10.11 C:130 19.22 -17.39 C:130 17.31 -15.93 C:127 9.79 -7.70 C:127 9.85 -10.11 C 23.29 -13.53 C 23.80 -10.11 C 16.85 -12.21 N 12.58 -7.58 O 24.50 -12.82 O 18.15 -7.70 O 14.81 -11.11 O 18.99 -13.69 O 21.95 -13.59 C:170 18.68 -6.39 C 22.75 -14.75 C:142 16.85 -9.98 C 19.53 -14.98 C:169 11.84 -6.39 C:172 14.05 -9.93 C:204 20.52 -8.85 C:134 18.15 -9.98 C:129 18.68 -16.11 C:129 10.53 -8.85 C:55 11.75 -3.96 C:72 22.56 -9.42 C:73 12.67 -9.98 C 16.21 -11.11 C 23.80 -11.58 C 18.99 -8.85 C:55 11.93 -8.85 C 20.03 -12.75 C 18.78 -11.11 C:63 12.50 -5.15 C 21.34 -11.58 C 21.34 -10.11 C 18.15 -12.21 C 22.56 -12.32 60 1 -2 2 40 1 3 41 1 4 42 1 5 50 1 58 6 -2 58 7 -1 59 8 -2 61 9 -1 10 40 2 11 41 2 12 43 2 13 44 2 14 45 2 15 46 2 51 16 -1 52 17 -2 62 18 -1 50 19 -1 59 20 -1 21 23 1 21 24 2 22 25 2 22 26 1 23 27 2 24 28 1 25 29 1 26 30 2 27 48 1 28 48 2 29 49 2 30 49 1 31 35 1 63 31 -1 32 51 1 32 54 1 33 53 1 33 62 1 34 44 1 56 34 -2 54 35 -1 36 40 1 55 36 -1 37 45 1 53 37 -2 38 43 1 57 38 -2 39 41 1 63 39 -2 42 47 2 42 53 1 43 48 1 44 59 1 45 52 1 46 55 1 46 61 1 47 55 1 47 58 1 49 56 1 50 59 1 51 61 1 52 56 1 54 63 1 57 60 1 57 62 1 58 62 1 60 61 1 60 63 1', 'C45H53Cl2NO14', 902.393, 'C', 'np98_57_7', 3333, '', '', '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
(12929, '(2''''S,3''''S)-Dichlorocephalomannine', '', 'Terpenoids', 'Diterpenoids', 'Taxanes', '[H][C@:3]35[C@H:2](O[C:2001](=O)[c:2002]1[cH:2003][cH:2004][cH:2005][cH:2006][cH:2007]1)[C@:1]6(O)[CH2:14][C@H:13](O[C:13001](=O)[C@H:13002](O)[C@@H:13003](N[C:13302](=O)[C@@:13303]([CH3:13306])(Cl)[C@@H:13304]([CH3:13305])Cl)[c:13004]2[cH:13009][cH:13008][cH:13007][cH:13006][cH:13005]2)[C:12]([CH3:18])=[C:11]([C@@H:10](O[C:10001]([CH3:10002])=O)[C:9](=O)[C@:8]3([CH3:19])[C@@H:7](O)[CH2:6][C@H:5]4O[CH2:20][C@:4]45O[C:4001]([CH3:4002])=O)[C@:15]6([CH3:17])[CH3:16]', '[H][C@]35[C@H](OC(=O)c1ccccc1)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)[C@@](C)(Cl)[C@@H](C)Cl)c2ccccc2)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@H]4OC[C@]45OC(C)=O)[C@]6(C)C', '[H][C@:9999]35[C@H:9999](O[C:9999](=O)[c:129]1[cH:130][cH:129][cH:137][cH:129][cH:130]1)[C@:9999]6(O)[CH2:9999][C@H:9999](O[C:172](=O)[C@H:73](O)[C@@H:55](N[C:169](=O)[C@@:63]([CH3:29])(Cl)[C@@H:55]([CH3:22])Cl)[c:129]2[cH:127][cH:129][cH:133][cH:129][cH:127]2)[C:142]([CH3:9999])=[C:134]([C@@H:9999](O[C:170]([CH3:21])=O)[C:204](=O)[C@:9999]3([CH3:10])[C@@H:72](O)[CH2:9999][C@H:9999]4O[CH2:9999][C@:9999]45O[C:9999]([CH3:9999])=O)[C@:9999]6([CH3:9999])[CH3:9999]', '63 68 H 21.48 -12.59 C:10002 17.85 -5.31 C:4002 22.14 -16.03 C:18 16.14 -8.72 C:13305 12.41 -2.72 C:17 19.84 -11.72 C:16 19.84 -10.45 C:13306 13.73 -5.82 C:19 21.66 -8.72 O 20.03 -6.31 O 24.14 -14.65 O 20.92 -15.15 O 10.43 -6.39 O 14.73 -8.72 O 21.26 -7.70 O 22.56 -8.03 O 12.01 -11.21 O 17.46 -13.43 Cl 10.35 -4.01 Cl 13.73 -4.42 C:2005 17.00 -18.32 C:13007 7.73 -8.94 C:2004 16.46 -17.04 C:2006 18.38 -18.50 C:13008 8.46 -10.11 C:13006 8.39 -7.70 C:2003 17.31 -15.93 C:2007 19.22 -17.39 C:13009 9.85 -10.11 C:13005 9.79 -7.70 C:20 23.29 -13.53 C:6 23.80 -10.11 C:14 16.85 -12.21 N 12.58 -7.58 O 24.50 -12.82 O 18.15 -7.70 O 14.81 -11.11 O 18.99 -13.69 O 21.95 -13.59 C:10001 18.68 -6.39 C:4001 22.75 -14.75 C:12 16.85 -9.98 C:2001 19.53 -14.98 C:13302 11.84 -6.39 C:13001 14.05 -9.93 C:9 20.52 -8.85 C:11 18.15 -9.98 C:2002 18.68 -16.11 C:13004 10.53 -8.85 C:13304 11.75 -3.96 C:7 22.56 -9.42 C:13002 12.67 -9.98 C:13 16.21 -11.11 C:5 23.80 -11.58 C:10 18.99 -8.85 C:13003 11.93 -8.85 C:2 20.03 -12.75 C:15 18.78 -11.11 C:13303 12.50 -5.15 C:3 21.34 -11.58 C:8 21.34 -10.11 C:1 18.15 -12.21 C:4 22.56 -12.32 60 1 -2 2 40 1 3 41 1 4 42 1 5 50 1 58 6 -1 58 7 -2 59 8 -1 61 9 -1 10 40 2 11 41 2 12 43 2 13 44 2 14 45 2 15 46 2 51 16 -1 52 17 -2 62 18 -1 50 19 -2 59 20 -2 21 23 2 21 24 1 22 25 1 22 26 2 23 27 1 24 28 2 25 29 2 26 30 1 27 48 2 28 48 1 29 49 1 30 49 2 31 35 1 63 31 -1 32 51 1 32 54 1 33 53 1 33 62 1 34 44 1 56 34 -2 54 35 -1 36 40 1 55 36 -1 37 45 1 53 37 -2 38 43 1 57 38 -2 39 41 1 63 39 -2 42 47 2 42 53 1 43 48 1 44 59 1 45 52 1 46 55 1 46 61 1 47 55 1 47 58 1 49 56 1 50 59 1 51 61 1 52 56 1 54 63 1 57 60 1 57 62 1 58 62 1 60 61 1 60 63 1', '63 68 H 21.48 -12.59 C 17.85 -5.31 C 22.14 -16.03 C 16.14 -8.72 C 12.41 -2.72 C 19.84 -11.72 C 19.84 -10.45 C 13.73 -5.82 C 21.66 -8.72 O 20.03 -6.31 O 24.14 -14.65 O 20.92 -15.15 O 10.43 -6.39 O 14.73 -8.72 O 21.26 -7.70 O 22.56 -8.03 O 12.01 -11.21 O 17.46 -13.43 Cl 10.35 -4.01 Cl 13.73 -4.42 C 17.00 -18.32 C 7.73 -8.94 C 16.46 -17.04 C 18.38 -18.50 C 8.46 -10.11 C 8.39 -7.70 C 17.31 -15.93 C 19.22 -17.39 C 9.85 -10.11 C 9.79 -7.70 C 23.29 -13.53 C 23.80 -10.11 C 16.85 -12.21 N 12.58 -7.58 O 24.50 -12.82 O 18.15 -7.70 O 14.81 -11.11 O 18.99 -13.69 O 21.95 -13.59 C 18.68 -6.39 C 22.75 -14.75 C 16.85 -9.98 C 19.53 -14.98 C 11.84 -6.39 C 14.05 -9.93 C 20.52 -8.85 C 18.15 -9.98 C 18.68 -16.11 C 10.53 -8.85 C 11.75 -3.96 C 22.56 -9.42 C 12.67 -9.98 C 16.21 -11.11 C 23.80 -11.58 C 18.99 -8.85 C 11.93 -8.85 C 20.03 -12.75 C 18.78 -11.11 C 12.50 -5.15 C 21.34 -11.58 C 21.34 -10.11 C 18.15 -12.21 C 22.56 -12.32 60 1 -2 2 40 1 3 41 1 4 42 1 5 50 1 58 6 -1 58 7 -2 59 8 -1 61 9 -1 10 40 2 11 41 2 12 43 2 13 44 2 14 45 2 15 46 2 51 16 -1 52 17 -2 62 18 -1 50 19 -2 59 20 -2 21 23 2 21 24 1 22 25 1 22 26 2 23 27 1 24 28 2 25 29 2 26 30 1 27 48 2 28 48 1 29 49 1 30 49 2 31 35 1 63 31 -1 32 51 1 32 54 1 33 53 1 33 62 1 34 44 1 56 34 -2 54 35 -1 36 40 1 55 36 -1 37 45 1 53 37 -2 38 43 1 57 38 -2 39 41 1 63 39 -2 42 47 2 42 53 1 43 48 1 44 59 1 45 52 1 46 55 1 46 61 1 47 55 1 47 58 1 49 56 1 50 59 1 51 61 1 52 56 1 54 63 1 57 60 1 57 62 1 58 62 1 60 61 1 60 63 1', '63 68 H 21.48 -12.59 C:21 17.85 -5.31 C 22.14 -16.03 C 16.14 -8.72 C:22 12.41 -2.72 C 19.84 -11.72 C 19.84 -10.45 C:29 13.73 -5.82 C:10 21.66 -8.72 O 20.03 -6.31 O 24.14 -14.65 O 20.92 -15.15 O 10.43 -6.39 O 14.73 -8.72 O 21.26 -7.70 O 22.56 -8.03 O 12.01 -11.21 O 17.46 -13.43 Cl 10.35 -4.01 Cl 13.73 -4.42 C:137 17.00 -18.32 C:133 7.73 -8.94 C:129 16.46 -17.04 C:129 18.38 -18.50 C:129 8.46 -10.11 C:129 8.39 -7.70 C:130 17.31 -15.93 C:130 19.22 -17.39 C:127 9.85 -10.11 C:127 9.79 -7.70 C 23.29 -13.53 C 23.80 -10.11 C 16.85 -12.21 N 12.58 -7.58 O 24.50 -12.82 O 18.15 -7.70 O 14.81 -11.11 O 18.99 -13.69 O 21.95 -13.59 C:170 18.68 -6.39 C 22.75 -14.75 C:142 16.85 -9.98 C 19.53 -14.98 C:169 11.84 -6.39 C:172 14.05 -9.93 C:204 20.52 -8.85 C:134 18.15 -9.98 C:129 18.68 -16.11 C:129 10.53 -8.85 C:55 11.75 -3.96 C:72 22.56 -9.42 C:73 12.67 -9.98 C 16.21 -11.11 C 23.80 -11.58 C 18.99 -8.85 C:55 11.93 -8.85 C 20.03 -12.75 C 18.78 -11.11 C:63 12.50 -5.15 C 21.34 -11.58 C 21.34 -10.11 C 18.15 -12.21 C 22.56 -12.32 60 1 -2 2 40 1 3 41 1 4 42 1 5 50 1 58 6 -1 58 7 -2 59 8 -1 61 9 -1 10 40 2 11 41 2 12 43 2 13 44 2 14 45 2 15 46 2 51 16 -1 52 17 -2 62 18 -1 50 19 -2 59 20 -2 21 23 2 21 24 1 22 25 1 22 26 2 23 27 1 24 28 2 25 29 2 26 30 1 27 48 2 28 48 1 29 49 1 30 49 2 31 35 1 63 31 -1 32 51 1 32 54 1 33 53 1 33 62 1 34 44 1 56 34 -2 54 35 -1 36 40 1 55 36 -1 37 45 1 53 37 -2 38 43 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(12930, '(2''''R,3''''S)-Dichlorocephalomannine', '', 'Terpenoids', 'Diterpenoids', 'Taxanes', '[H][C@:3]35[C@H:2](O[C:2001](=O)[c:2002]1[cH:2007][cH:2006][cH:2005][cH:2004][cH:2003]1)[C@:1]6(O)[CH2:14][C@H:13](O[C:13001](=O)[C@H:13002](O)[C@@H:13003](N[C:13302](=O)[C@:13303]([CH3:13306])(Cl)[C@@H:13304]([CH3:13305])Cl)[c:13004]2[cH:13005][cH:13006][cH:13007][cH:13008][cH:13009]2)[C:12]([CH3:18])=[C:11]([C@@H:10](O[C:10001]([CH3:10002])=O)[C:9](=O)[C@:8]3([CH3:19])[C@@H:7](O)[CH2:6][C@H:5]4O[CH2:20][C@:4]45O[C:4001]([CH3:4002])=O)[C@@:15]6([CH3:16])[CH3:17]', '[H][C@]35[C@H](OC(=O)c1ccccc1)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)[C@](C)(Cl)[C@@H](C)Cl)c2ccccc2)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@H]4OC[C@]45OC(C)=O)[C@@]6(C)C', '[H][C@:9999]35[C@H:9999](O[C:9999](=O)[c:128]1[cH:130][cH:129][cH:138][cH:129][cH:130]1)[C@:9999]6(O)[CH2:9999][C@H:9999](O[C:172](=O)[C@H:73](O)[C@@H:55](N[C:169](=O)[C@:61]([CH3:28])(Cl)[C@@H:59]([CH3:22])Cl)[c:129]2[cH:127][cH:129][cH:133][cH:129][cH:127]2)[C:142]([CH3:9999])=[C:134]([C@@H:9999](O[C:170]([CH3:19])=O)[C:204](=O)[C@:9999]3([CH3:10])[C@@H:72](O)[CH2:9999][C@H:9999]4O[CH2:9999][C@:9999]45O[C:9999]([CH3:9999])=O)[C@@:9999]6([CH3:9999])[CH3:9999]', '63 68 H 21.48 -12.59 C:10002 17.85 -5.31 C:4002 22.14 -16.03 C:18 16.14 -8.72 C:13305 12.41 -2.72 C:16 19.84 -10.45 C:17 19.84 -11.72 C:13306 13.73 -5.82 C:19 21.66 -8.72 O 20.03 -6.31 O 24.14 -14.65 O 20.92 -15.15 O 10.43 -6.39 O 14.73 -8.72 O 21.26 -7.70 O 22.56 -8.03 O 12.01 -11.21 O 17.46 -13.43 Cl 10.35 -4.01 Cl 13.73 -4.42 C:2005 17.00 -18.32 C:13007 7.73 -8.94 C:2006 18.38 -18.50 C:2004 16.46 -17.04 C:13006 8.39 -7.70 C:13008 8.46 -10.11 C:2007 19.22 -17.39 C:2003 17.31 -15.93 C:13005 9.79 -7.70 C:13009 9.85 -10.11 C:20 23.29 -13.53 C:6 23.80 -10.11 C:14 16.85 -12.21 N 12.58 -7.58 O 24.50 -12.82 O 18.15 -7.70 O 14.81 -11.11 O 18.99 -13.69 O 21.95 -13.59 C:10001 18.68 -6.39 C:4001 22.75 -14.75 C:12 16.85 -9.98 C:2001 19.53 -14.98 C:13302 11.84 -6.39 C:13001 14.05 -9.93 C:9 20.52 -8.85 C:11 18.15 -9.98 C:2002 18.68 -16.11 C:13004 10.53 -8.85 C:13304 11.75 -4.01 C:7 22.56 -9.42 C:13002 12.67 -9.98 C:13 16.21 -11.11 C:5 23.80 -11.58 C:10 18.99 -8.85 C:13003 11.93 -8.85 C:2 20.03 -12.75 C:15 18.78 -11.11 C:13303 12.50 -5.15 C:3 21.34 -11.58 C:8 21.34 -10.11 C:1 18.15 -12.21 C:4 22.56 -12.32 60 1 -2 2 40 1 3 41 1 4 42 1 5 50 1 58 6 -2 58 7 -1 59 8 -2 61 9 -1 10 40 2 11 41 2 12 43 2 13 44 2 14 45 2 15 46 2 51 16 -1 52 17 -2 62 18 -1 50 19 -2 59 20 -1 21 23 1 21 24 2 22 25 2 22 26 1 23 27 2 24 28 1 25 29 1 26 30 2 27 48 1 28 48 2 29 49 2 30 49 1 31 35 1 63 31 -1 32 51 1 32 54 1 33 53 1 33 62 1 34 44 1 56 34 -2 54 35 -1 36 40 1 55 36 -1 37 45 1 53 37 -2 38 43 1 57 38 -2 39 41 1 63 39 -2 42 47 2 42 53 1 43 48 1 44 59 1 45 52 1 46 55 1 46 61 1 47 55 1 47 58 1 49 56 1 50 59 1 51 61 1 52 56 1 54 63 1 57 60 1 57 62 1 58 62 1 60 61 1 60 63 1', '63 68 H 21.48 -12.59 C 17.85 -5.31 C 22.14 -16.03 C 16.14 -8.72 C 12.41 -2.72 C 19.84 -10.45 C 19.84 -11.72 C 13.73 -5.82 C 21.66 -8.72 O 20.03 -6.31 O 24.14 -14.65 O 20.92 -15.15 O 10.43 -6.39 O 14.73 -8.72 O 21.26 -7.70 O 22.56 -8.03 O 12.01 -11.21 O 17.46 -13.43 Cl 10.35 -4.01 Cl 13.73 -4.42 C 17.00 -18.32 C 7.73 -8.94 C 18.38 -18.50 C 16.46 -17.04 C 8.39 -7.70 C 8.46 -10.11 C 19.22 -17.39 C 17.31 -15.93 C 9.79 -7.70 C 9.85 -10.11 C 23.29 -13.53 C 23.80 -10.11 C 16.85 -12.21 N 12.58 -7.58 O 24.50 -12.82 O 18.15 -7.70 O 14.81 -11.11 O 18.99 -13.69 O 21.95 -13.59 C 18.68 -6.39 C 22.75 -14.75 C 16.85 -9.98 C 19.53 -14.98 C 11.84 -6.39 C 14.05 -9.93 C 20.52 -8.85 C 18.15 -9.98 C 18.68 -16.11 C 10.53 -8.85 C 11.75 -4.01 C 22.56 -9.42 C 12.67 -9.98 C 16.21 -11.11 C 23.80 -11.58 C 18.99 -8.85 C 11.93 -8.85 C 20.03 -12.75 C 18.78 -11.11 C 12.50 -5.15 C 21.34 -11.58 C 21.34 -10.11 C 18.15 -12.21 C 22.56 -12.32 60 1 -2 2 40 1 3 41 1 4 42 1 5 50 1 58 6 -2 58 7 -1 59 8 -2 61 9 -1 10 40 2 11 41 2 12 43 2 13 44 2 14 45 2 15 46 2 51 16 -1 52 17 -2 62 18 -1 50 19 -2 59 20 -1 21 23 1 21 24 2 22 25 2 22 26 1 23 27 2 24 28 1 25 29 1 26 30 2 27 48 1 28 48 2 29 49 2 30 49 1 31 35 1 63 31 -1 32 51 1 32 54 1 33 53 1 33 62 1 34 44 1 56 34 -2 54 35 -1 36 40 1 55 36 -1 37 45 1 53 37 -2 38 43 1 57 38 -2 39 41 1 63 39 -2 42 47 2 42 53 1 43 48 1 44 59 1 45 52 1 46 55 1 46 61 1 47 55 1 47 58 1 49 56 1 50 59 1 51 61 1 52 56 1 54 63 1 57 60 1 57 62 1 58 62 1 60 61 1 60 63 1', '63 68 H 21.48 -12.59 C:19 17.85 -5.31 C 22.14 -16.03 C 16.14 -8.72 C:22 12.41 -2.72 C 19.84 -10.45 C 19.84 -11.72 C:28 13.73 -5.82 C:10 21.66 -8.72 O 20.03 -6.31 O 24.14 -14.65 O 20.92 -15.15 O 10.43 -6.39 O 14.73 -8.72 O 21.26 -7.70 O 22.56 -8.03 O 12.01 -11.21 O 17.46 -13.43 Cl 10.35 -4.01 Cl 13.73 -4.42 C:138 17.00 -18.32 C:133 7.73 -8.94 C:129 18.38 -18.50 C:129 16.46 -17.04 C:129 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(12938, '', '5a-Cinnamyloxy-7b,10b,13a-triacetoxy-2(3f20)abeotaxa-2a-hydroxy-4(20),11-dien-9-one', 'Terpenoids', 'Diterpenoids', 'Abeo-Taxanes', '[H][C@:1]14[CH2:14][C@H:13](O[C:13001]([CH3:13002])=O)[C:12]([CH3:18])=[C:11]([C@@H:10](O[C:10001]([CH3:10002])=O)[C:9](=O)[C@@:8]3([CH3:19])[CH2:3][C:4](=[CH:20][C@@H:2]1O)[C@@H:5](O[C:5001](=O)[CH:5002]=[CH:5003][c:5004]2[cH:5005][cH:5006][cH:5007][cH:5008][cH:5009]2)[CH2:6][C@@H:7]3O[C:7001]([CH3:7002])=O)[C@@:15]4([CH3:16])[CH3:17]', '[H][C@]14C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]3(C)CC(=C[C@@H]1O)[C@@H](OC(=O)C=Cc2ccccc2)C[C@@H]3OC(C)=O)[C@@]4(C)C', '[H][C@:50]14[CH2:27][C@H:71](O[C:171]([CH3:22])=O)[C:140]([CH3:18])=[C:130]([C@@H:79](O[C:170]([CH3:22])=O)[C:207](=O)[C@@:54]3([CH3:33])[CH2:36][C:132](=[CH:129][C@@H:69]1O)[C@@H:71](O[C:167](=O)[CH:118]=[CH:147][c:135]2[cH:130][cH:129][cH:132][cH:129][cH:130]2)[CH2:33][C@@H:70]3O[C:171]([CH3:22])=O)[C@@:38]4([CH3:21])[CH3:26]', '46 49 H 12.45 -13.01 C:13002 7.00 -14.10 C:10002 9.38 -7.05 C:7002 16.77 -5.61 C:18 9.38 -11.25 C:16 13.09 -10.53 C:17 14.35 -12.71 C:19 14.35 -8.37 O 8.20 -12.05 O 11.84 -7.04 O 17.97 -7.67 O 19.26 -9.85 O 13.09 -7.71 O 14.36 -15.56 C:5002 20.46 -11.91 C:5003 21.65 -11.20 C:20 15.60 -13.44 C:5007 25.23 -13.23 C:5006 24.06 -13.94 C:5008 25.23 -11.86 C:5005 22.87 -13.26 C:5009 24.06 -11.17 C:3 14.35 -11.25 C:6 16.87 -9.82 C:14 11.84 -14.18 O 9.38 -14.13 O 10.64 -9.13 O 18.06 -11.94 O 15.60 -7.71 C:13001 8.20 -13.42 C:10001 10.64 -7.75 C:7001 16.77 -6.99 C:5001 19.26 -11.23 C:12 10.59 -11.99 C:9 13.09 -9.09 C:4 15.60 -11.99 C:11 11.84 -11.25 C:5004 22.87 -11.89 C:2 14.35 -14.18 C:13 10.59 -13.44 C:5 16.87 -11.25 C:10 11.84 -9.82 C:7 15.60 -9.09 C:15 13.09 -11.99 C:8 14.35 -9.82 C:1 13.09 -13.44 46 1 -1 2 30 1 3 31 1 4 32 1 5 34 1 44 6 -2 44 7 -1 45 8 -1 9 30 2 10 31 2 11 32 2 12 33 2 13 35 2 39 14 -2 15 16 2 15 33 1 16 38 1 17 36 2 17 39 1 18 19 2 18 20 1 19 21 1 20 22 2 21 38 2 22 38 1 23 36 1 23 45 1 24 41 1 24 43 1 25 40 1 25 46 1 26 30 1 40 26 -2 27 31 1 42 27 -1 28 33 1 41 28 -2 29 32 1 43 29 -1 34 37 2 34 40 1 35 42 1 35 45 1 36 41 1 37 42 1 37 44 1 39 46 1 43 45 1 44 46 1', '46 49 H 12.45 -13.01 C 7.00 -14.10 C 9.38 -7.05 C 16.77 -5.61 C 9.38 -11.25 C 13.09 -10.53 C 14.35 -12.71 C 14.35 -8.37 O 8.20 -12.05 O 11.84 -7.04 O 17.97 -7.67 O 19.26 -9.85 O 13.09 -7.71 O 14.36 -15.56 C 20.46 -11.91 C 21.65 -11.20 C 15.60 -13.44 C 25.23 -13.23 C 24.06 -13.94 C 25.23 -11.86 C 22.87 -13.26 C 24.06 -11.17 C 14.35 -11.25 C 16.87 -9.82 C 11.84 -14.18 O 9.38 -14.13 O 10.64 -9.13 O 18.06 -11.94 O 15.60 -7.71 C 8.20 -13.42 C 10.64 -7.75 C 16.77 -6.99 C 19.26 -11.23 C 10.59 -11.99 C 13.09 -9.09 C 15.60 -11.99 C 11.84 -11.25 C 22.87 -11.89 C 14.35 -14.18 C 10.59 -13.44 C 16.87 -11.25 C 11.84 -9.82 C 15.60 -9.09 C 13.09 -11.99 C 14.35 -9.82 C 13.09 -13.44 46 1 -1 2 30 1 3 31 1 4 32 1 5 34 1 44 6 -2 44 7 -1 45 8 -1 9 30 2 10 31 2 11 32 2 12 33 2 13 35 2 39 14 -2 15 16 2 15 33 1 16 38 1 17 36 2 17 39 1 18 19 2 18 20 1 19 21 1 20 22 2 21 38 2 22 38 1 23 36 1 23 45 1 24 41 1 24 43 1 25 40 1 25 46 1 26 30 1 40 26 -2 27 31 1 42 27 -1 28 33 1 41 28 -2 29 32 1 43 29 -1 34 37 2 34 40 1 35 42 1 35 45 1 36 41 1 37 42 1 37 44 1 39 46 1 43 45 1 44 46 1', '46 49 H 12.45 -13.01 C:22 7.00 -14.10 C:22 9.38 -7.05 C:22 16.77 -5.61 C:18 9.38 -11.25 C:21 13.09 -10.53 C:26 14.35 -12.71 C:33 14.35 -8.37 O 8.20 -12.05 O 11.84 -7.04 O 17.97 -7.67 O 19.26 -9.85 O 13.09 -7.71 O 14.36 -15.56 C:118 20.46 -11.91 C:147 21.65 -11.20 C:129 15.60 -13.44 C:132 25.23 -13.23 C:129 24.06 -13.94 C:129 25.23 -11.86 C:130 22.87 -13.26 C:130 24.06 -11.17 C:36 14.35 -11.25 C:33 16.87 -9.82 C:27 11.84 -14.18 O 9.38 -14.13 O 10.64 -9.13 O 18.06 -11.94 O 15.60 -7.71 C:171 8.20 -13.42 C:170 10.64 -7.75 C:171 16.77 -6.99 C:167 19.26 -11.23 C:140 10.59 -11.99 C:207 13.09 -9.09 C:132 15.60 -11.99 C:130 11.84 -11.25 C:135 22.87 -11.89 C:69 14.35 -14.18 C:71 10.59 -13.44 C:71 16.87 -11.25 C:79 11.84 -9.82 C:70 15.60 -9.09 C:38 13.09 -11.99 C:54 14.35 -9.82 C:50 13.09 -13.44 46 1 -1 2 30 1 3 31 1 4 32 1 5 34 1 44 6 -2 44 7 -1 45 8 -1 9 30 2 10 31 2 11 32 2 12 33 2 13 35 2 39 14 -2 15 16 2 15 33 1 16 38 1 17 36 2 17 39 1 18 19 2 18 20 1 19 21 1 20 22 2 21 38 2 22 38 1 23 36 1 23 45 1 24 41 1 24 43 1 25 40 1 25 46 1 26 30 1 40 26 -2 27 31 1 42 27 -1 28 33 1 41 28 -2 29 32 1 43 29 -1 34 37 2 34 40 1 35 42 1 35 45 1 36 41 1 37 42 1 37 44 1 39 46 1 43 45 1 44 46 1', 'C35H42O10', 622.376, 'C', 'np99_1114_2', 3336, '', '', '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
(12939, '', '5a-Cinnamyloxy-10b,13a-diacetoxy-2(3-->20)abeotaxa-2a,7b-dihydroxy-4(20),11-dien-9-one', 'Terpenoids', 'Diterpenoids', 'Abeo-Taxanes', '[H][C@:1]14[CH2:14][C@H:13](O[C:13001]([CH3:13002])=O)[C:12]([CH3:18])=[C:11]([C@@H:10](O[C:10001]([CH3:10002])=O)[C:9](=O)[C@@:8]3([CH3:19])[CH2:3][C:4](=[CH:20][C@@H:2]1O)[C@@H:5](O[C:5001](=O)[CH:5002]=[CH:5003][c:5004]2[cH:5005][cH:5006][cH:5007][cH:5008][cH:5009]2)[CH2:6][C@@H:7]3O)[C@@:15]4([CH3:16])[CH3:17]', '[H][C@]14C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]3(C)CC(=C[C@@H]1O)[C@@H](OC(=O)C=Cc2ccccc2)C[C@@H]3O)[C@@]4(C)C', '[H][C@:49]14[CH2:26][C@H:71](O[C:170]([CH3:21])=O)[C:138]([CH3:17])=[C:129]([C@@H:78](O[C:170]([CH3:21])=O)[C:207](=O)[C@@:54]3([CH3:36])[CH2:36][C:132](=[CH:126][C@@H:68]1O)[C@@H:69](O[C:166](=O)[CH:118]=[CH:146][c:132]2[cH:129][cH:128][cH:131][cH:128][cH:129]2)[CH2:32][C@@H:68]3O)[C@@:38]4([CH3:18])[CH3:25]', '43 46 H 12.49 -12.27 C:13002 7.04 -13.36 C:10002 9.42 -6.32 C:18 9.42 -10.51 C:16 13.13 -9.79 C:17 14.39 -11.97 C:19 14.39 -7.63 O 8.24 -11.31 O 11.88 -6.31 O 19.29 -9.11 O 13.13 -6.98 O 14.40 -14.82 O 15.64 -6.98 C:5002 20.49 -11.17 C:5003 21.68 -10.46 C:20 15.64 -12.70 C:5007 25.26 -12.49 C:5006 24.09 -13.20 C:5008 25.26 -11.12 C:5005 22.90 -12.52 C:5009 24.09 -10.43 C:3 14.39 -10.51 C:6 16.90 -9.08 C:14 11.88 -13.44 O 9.42 -13.39 O 10.68 -8.39 O 18.09 -11.20 C:13001 8.24 -12.68 C:10001 10.68 -7.02 C:5001 19.29 -10.49 C:12 10.63 -11.25 C:9 13.13 -8.35 C:4 15.64 -11.25 C:11 11.88 -10.51 C:5004 22.90 -11.15 C:2 14.39 -13.44 C:7 15.64 -8.35 C:13 10.63 -12.70 C:5 16.90 -10.51 C:10 11.88 -9.08 C:15 13.13 -11.25 C:8 14.39 -9.08 C:1 13.13 -12.70 43 1 -1 2 28 1 3 29 1 4 31 1 41 5 -2 41 6 -1 42 7 -1 8 28 2 9 29 2 10 30 2 11 32 2 36 12 -2 37 13 -1 14 15 2 14 30 1 15 35 1 16 33 2 16 36 1 17 18 2 17 19 1 18 20 1 19 21 2 20 35 2 21 35 1 22 33 1 22 42 1 23 37 1 23 39 1 24 38 1 24 43 1 25 28 1 38 25 -2 26 29 1 40 26 -1 27 30 1 39 27 -2 31 34 2 31 38 1 32 40 1 32 42 1 33 39 1 34 40 1 34 41 1 36 43 1 37 42 1 41 43 1', '43 46 H 12.49 -12.27 C 7.04 -13.36 C 9.42 -6.32 C 9.42 -10.51 C 13.13 -9.79 C 14.39 -11.97 C 14.39 -7.63 O 8.24 -11.31 O 11.88 -6.31 O 19.29 -9.11 O 13.13 -6.98 O 14.40 -14.82 O 15.64 -6.98 C 20.49 -11.17 C 21.68 -10.46 C 15.64 -12.70 C 25.26 -12.49 C 24.09 -13.20 C 25.26 -11.12 C 22.90 -12.52 C 24.09 -10.43 C 14.39 -10.51 C 16.90 -9.08 C 11.88 -13.44 O 9.42 -13.39 O 10.68 -8.39 O 18.09 -11.20 C 8.24 -12.68 C 10.68 -7.02 C 19.29 -10.49 C 10.63 -11.25 C 13.13 -8.35 C 15.64 -11.25 C 11.88 -10.51 C 22.90 -11.15 C 14.39 -13.44 C 15.64 -8.35 C 10.63 -12.70 C 16.90 -10.51 C 11.88 -9.08 C 13.13 -11.25 C 14.39 -9.08 C 13.13 -12.70 43 1 -1 2 28 1 3 29 1 4 31 1 41 5 -2 41 6 -1 42 7 -1 8 28 2 9 29 2 10 30 2 11 32 2 36 12 -2 37 13 -1 14 15 2 14 30 1 15 35 1 16 33 2 16 36 1 17 18 2 17 19 1 18 20 1 19 21 2 20 35 2 21 35 1 22 33 1 22 42 1 23 37 1 23 39 1 24 38 1 24 43 1 25 28 1 38 25 -2 26 29 1 40 26 -1 27 30 1 39 27 -2 31 34 2 31 38 1 32 40 1 32 42 1 33 39 1 34 40 1 34 41 1 36 43 1 37 42 1 41 43 1', '43 46 H 12.49 -12.27 C:21 7.04 -13.36 C:21 9.42 -6.32 C:17 9.42 -10.51 C:18 13.13 -9.79 C:25 14.39 -11.97 C:36 14.39 -7.63 O 8.24 -11.31 O 11.88 -6.31 O 19.29 -9.11 O 13.13 -6.98 O 14.40 -14.82 O 15.64 -6.98 C:118 20.49 -11.17 C:146 21.68 -10.46 C:126 15.64 -12.70 C:131 25.26 -12.49 C:128 24.09 -13.20 C:128 25.26 -11.12 C:129 22.90 -12.52 C:129 24.09 -10.43 C:36 14.39 -10.51 C:32 16.90 -9.08 C:26 11.88 -13.44 O 9.42 -13.39 O 10.68 -8.39 O 18.09 -11.20 C:170 8.24 -12.68 C:170 10.68 -7.02 C:166 19.29 -10.49 C:138 10.63 -11.25 C:207 13.13 -8.35 C:132 15.64 -11.25 C:129 11.88 -10.51 C:132 22.90 -11.15 C:68 14.39 -13.44 C:68 15.64 -8.35 C:71 10.63 -12.70 C:69 16.90 -10.51 C:78 11.88 -9.08 C:38 13.13 -11.25 C:54 14.39 -9.08 C:49 13.13 -12.70 43 1 -1 2 28 1 3 29 1 4 31 1 41 5 -2 41 6 -1 42 7 -1 8 28 2 9 29 2 10 30 2 11 32 2 36 12 -2 37 13 -1 14 15 2 14 30 1 15 35 1 16 33 2 16 36 1 17 18 2 17 19 1 18 20 1 19 21 2 20 35 2 21 35 1 22 33 1 22 42 1 23 37 1 23 39 1 24 38 1 24 43 1 25 28 1 38 25 -2 26 29 1 40 26 -1 27 30 1 39 27 -2 31 34 2 31 38 1 32 40 1 32 42 1 33 39 1 34 40 1 34 41 1 36 43 1 37 42 1 41 43 1', 'C33H40O9', 580.356, 'C', 'np99_1114_3', 3336, '', '', '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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