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
(13586, 'Scrobiculatone A', '1-Benzoyl-8,8-dimethyl-5,7-bis(3-methylbut-2-enyl)-3,4-(2,2-dimethylpyran[5,6:3,4]exo-bi-cyclo[3.3.1]non-3-ene-2,9-dione', 'Aromatics', 'Benzophenones', '', '[CH3:504][C:503]([CH3:505])=[CH:502][CH2:501][C@H:202]4[CH2:201][C@:5]2([CH2:401][CH:402]=[C:403]([CH3:405])[CH3:404])[C:6](=O)[C@@:1]([C:107](=O)[c:101]1[cH:106][cH:105][cH:104][cH:103][cH:102]1)([C:2](=O)[C:3]3=[C:4]2O[C:303]([CH3:304])([CH3:305])[CH:302]=[CH:301]3)[C@@:203]4([CH3:204])[CH3:205]', 'CC(C)=CC[C@H]4C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c1ccccc1)(C(=O)C3=C2OC(C)(C)C=C3)[C@@]4(C)C', '[CH3:26][C:134]([CH3:18])=[CH:123][CH2:27][C@H:44]4[CH2:40][C@:58]2([CH2:29][CH:119]=[C:133]([CH3:26])[CH3:18])[C:207](=O)[C@@:79]([C:193](=O)[c:136]1[cH:128][cH:128][cH:132][cH:128][cH:128]1)([C:189](=O)[C:114]3=[C:170]2O[C:82]([CH3:28])([CH3:30])[CH:124]=[CH:116]3)[C@@:49]4([CH3:16])[CH3:24]', '37 40 C:504 13.25 -6.11 C:505 12.03 -8.09 C:405 15.62 -16.73 C:404 14.41 -14.75 C:304 20.69 -16.73 C:305 19.30 -16.57 C:204 16.14 -8.20 C:205 17.19 -8.20 O 21.33 -10.75 O 17.85 -8.77 O 16.73 -10.75 C:301 21.33 -13.40 C:302 21.33 -14.75 C:502 14.41 -8.09 C:402 16.73 -14.75 C:104 22.44 -7.41 C:105 22.44 -8.77 C:103 21.33 -6.79 C:106 21.33 -9.40 C:102 20.18 -7.41 C:501 14.41 -9.40 C:401 16.73 -13.40 C:201 15.55 -11.42 O 19.02 -14.75 C:503 13.25 -7.41 C:403 15.62 -15.43 C:3 20.18 -12.72 C:2 20.18 -11.42 C:107 19.02 -9.40 C:6 17.85 -11.42 C:4 19.02 -13.40 C:101 20.18 -8.77 C:202 15.55 -10.08 C:303 20.11 -15.43 C:203 16.73 -9.40 C:5 17.85 -12.72 C:1 19.02 -10.75 1 25 1 2 25 1 3 26 1 4 26 1 5 34 1 6 34 1 35 7 -1 35 8 -2 9 28 2 10 29 2 11 30 2 12 13 2 12 27 1 13 34 1 14 21 1 14 25 2 15 22 1 15 26 2 16 17 2 16 18 1 17 19 1 18 20 2 19 32 2 20 32 1 33 21 -2 36 22 -1 23 33 1 23 36 1 24 31 1 24 34 1 27 28 1 27 31 2 28 37 1 29 32 1 37 29 -1 30 36 1 30 37 1 31 36 1 33 35 1 35 37 1', '37 40 C 13.25 -6.11 C 12.03 -8.09 C 15.62 -16.73 C 14.41 -14.75 C 20.69 -16.73 C 19.30 -16.57 C 16.14 -8.20 C 17.19 -8.20 O 21.33 -10.75 O 17.85 -8.77 O 16.73 -10.75 C 21.33 -13.40 C 21.33 -14.75 C 14.41 -8.09 C 16.73 -14.75 C 22.44 -7.41 C 22.44 -8.77 C 21.33 -6.79 C 21.33 -9.40 C 20.18 -7.41 C 14.41 -9.40 C 16.73 -13.40 C 15.55 -11.42 O 19.02 -14.75 C 13.25 -7.41 C 15.62 -15.43 C 20.18 -12.72 C 20.18 -11.42 C 19.02 -9.40 C 17.85 -11.42 C 19.02 -13.40 C 20.18 -8.77 C 15.55 -10.08 C 20.11 -15.43 C 16.73 -9.40 C 17.85 -12.72 C 19.02 -10.75 1 25 1 2 25 1 3 26 1 4 26 1 5 34 1 6 34 1 35 7 -1 35 8 -2 9 28 2 10 29 2 11 30 2 12 13 2 12 27 1 13 34 1 14 21 1 14 25 2 15 22 1 15 26 2 16 17 2 16 18 1 17 19 1 18 20 2 19 32 2 20 32 1 33 21 -2 36 22 -1 23 33 1 23 36 1 24 31 1 24 34 1 27 28 1 27 31 2 28 37 1 29 32 1 37 29 -1 30 36 1 30 37 1 31 36 1 33 35 1 35 37 1', '37 40 C:26 13.25 -6.11 C:18 12.03 -8.09 C:26 15.62 -16.73 C:18 14.41 -14.75 C:28 20.69 -16.73 C:30 19.30 -16.57 C:16 16.14 -8.20 C:24 17.19 -8.20 O 21.33 -10.75 O 17.85 -8.77 O 16.73 -10.75 C:116 21.33 -13.40 C:124 21.33 -14.75 C:123 14.41 -8.09 C:119 16.73 -14.75 C:132 22.44 -7.41 C:128 22.44 -8.77 C:128 21.33 -6.79 C:128 21.33 -9.40 C:128 20.18 -7.41 C:27 14.41 -9.40 C:29 16.73 -13.40 C:40 15.55 -11.42 O 19.02 -14.75 C:134 13.25 -7.41 C:133 15.62 -15.43 C:114 20.18 -12.72 C:189 20.18 -11.42 C:193 19.02 -9.40 C:207 17.85 -11.42 C:170 19.02 -13.40 C:136 20.18 -8.77 C:44 15.55 -10.08 C:82 20.11 -15.43 C:49 16.73 -9.40 C:58 17.85 -12.72 C:79 19.02 -10.75 1 25 1 2 25 1 3 26 1 4 26 1 5 34 1 6 34 1 35 7 -1 35 8 -2 9 28 2 10 29 2 11 30 2 12 13 2 12 27 1 13 34 1 14 21 1 14 25 2 15 22 1 15 26 2 16 17 2 16 18 1 17 19 1 18 20 2 19 32 2 20 32 1 33 21 -2 36 22 -1 23 33 1 23 36 1 24 31 1 24 34 1 27 28 1 27 31 2 28 37 1 29 32 1 37 29 -1 30 36 1 30 37 1 31 36 1 33 35 1 35 37 1', 'C33H40O4', 500.351, 'C', 'ph55_755_9a', 3490, '', '', '1', 47, NULL, NULL),
(13587, 'Scrobiculatone B', '1-Benzoyl-8,8-dimethyl-5,7-bis (3-methylbut-2-enyl)-2,3-(2,2-dimethylpyran[5,6:3,2]exo-bi-cyclo[3.3.1]non-2-ene-2,9-dione', 'Aromatics', 'Benzophenones', '', '[CH3:504][C:503]([CH3:505])=[CH:502][CH2:501][C@H:202]4[CH2:201][C@@:5]3([CH2:401][CH:402]=[C:403]([CH3:405])[CH3:404])[C:4](=O)[C:3]1=[C:2](O[C:303]([CH3:304])([CH3:305])[CH:302]=[CH:301]1)[C@:1]([C:107](=O)[c:101]2[cH:106][cH:105][cH:104][cH:103][cH:102]2)([C:6]3=O)[C@@:203]4([CH3:204])[CH3:205]', 'CC(C)=CC[C@H]4C[C@@]3(CC=C(C)C)C(=O)C1=C(OC(C)(C)C=C1)[C@](C(=O)c2ccccc2)(C3=O)[C@@]4(C)C', '[CH3:26][C:134]([CH3:18])=[CH:122][CH2:28][C@H:43]4[CH2:42][C@@:65]3([CH2:29][CH:120]=[C:133]([CH3:26])[CH3:18])[C:192](=O)[C:113]1=[C:167](O[C:83]([CH3:28])([CH3:28])[CH:124]=[CH:114]1)[C@:72]([C:193](=O)[c:137]2[cH:128][cH:128][cH:132][cH:128][cH:128]2)([C:206]3=O)[C@@:48]4([CH3:16])[CH3:24]', '37 40 C:504 12.51 -6.11 C:505 11.29 -8.08 C:405 14.89 -16.72 C:404 13.68 -14.73 C:304 23.17 -11.07 C:305 22.33 -9.96 C:204 15.40 -8.19 C:205 16.45 -8.19 O 18.29 -14.73 O 17.11 -8.76 O 15.99 -10.74 C:301 20.59 -13.39 C:302 21.78 -12.65 C:502 13.68 -8.08 C:402 15.99 -14.73 C:104 21.70 -7.41 C:105 21.70 -8.76 C:103 20.59 -6.79 C:106 20.59 -9.39 C:102 19.44 -7.41 C:501 13.68 -9.39 C:401 15.99 -13.39 C:201 14.82 -11.41 O 20.59 -10.74 C:503 12.51 -7.41 C:403 14.89 -15.41 C:3 19.44 -12.71 C:4 18.29 -13.39 C:107 18.29 -9.39 C:6 17.11 -11.41 C:2 19.44 -11.41 C:101 19.44 -8.76 C:202 14.82 -10.07 C:303 21.78 -11.25 C:203 15.99 -9.39 C:5 17.11 -12.71 C:1 18.29 -10.74 1 25 1 2 25 1 3 26 1 4 26 1 5 34 1 6 34 1 35 7 -1 35 8 -2 9 28 2 10 29 2 11 30 2 12 13 2 12 27 1 13 34 1 14 21 1 14 25 2 15 22 1 15 26 2 16 17 2 16 18 1 17 19 1 18 20 2 19 32 2 20 32 1 33 21 -2 36 22 -1 23 33 1 23 36 1 24 31 1 24 34 1 27 28 1 27 31 2 28 36 1 29 32 1 37 29 -1 30 36 1 30 37 1 31 37 1 33 35 1 35 37 1', '37 40 C 12.51 -6.11 C 11.29 -8.08 C 14.89 -16.72 C 13.68 -14.73 C 23.17 -11.07 C 22.33 -9.96 C 15.40 -8.19 C 16.45 -8.19 O 18.29 -14.73 O 17.11 -8.76 O 15.99 -10.74 C 20.59 -13.39 C 21.78 -12.65 C 13.68 -8.08 C 15.99 -14.73 C 21.70 -7.41 C 21.70 -8.76 C 20.59 -6.79 C 20.59 -9.39 C 19.44 -7.41 C 13.68 -9.39 C 15.99 -13.39 C 14.82 -11.41 O 20.59 -10.74 C 12.51 -7.41 C 14.89 -15.41 C 19.44 -12.71 C 18.29 -13.39 C 18.29 -9.39 C 17.11 -11.41 C 19.44 -11.41 C 19.44 -8.76 C 14.82 -10.07 C 21.78 -11.25 C 15.99 -9.39 C 17.11 -12.71 C 18.29 -10.74 1 25 1 2 25 1 3 26 1 4 26 1 5 34 1 6 34 1 35 7 -1 35 8 -2 9 28 2 10 29 2 11 30 2 12 13 2 12 27 1 13 34 1 14 21 1 14 25 2 15 22 1 15 26 2 16 17 2 16 18 1 17 19 1 18 20 2 19 32 2 20 32 1 33 21 -2 36 22 -1 23 33 1 23 36 1 24 31 1 24 34 1 27 28 1 27 31 2 28 36 1 29 32 1 37 29 -1 30 36 1 30 37 1 31 37 1 33 35 1 35 37 1', '37 40 C:26 12.51 -6.11 C:18 11.29 -8.08 C:26 14.89 -16.72 C:18 13.68 -14.73 C:28 23.17 -11.07 C:28 22.33 -9.96 C:16 15.40 -8.19 C:24 16.45 -8.19 O 18.29 -14.73 O 17.11 -8.76 O 15.99 -10.74 C:114 20.59 -13.39 C:124 21.78 -12.65 C:122 13.68 -8.08 C:120 15.99 -14.73 C:132 21.70 -7.41 C:128 21.70 -8.76 C:128 20.59 -6.79 C:128 20.59 -9.39 C:128 19.44 -7.41 C:28 13.68 -9.39 C:29 15.99 -13.39 C:42 14.82 -11.41 O 20.59 -10.74 C:134 12.51 -7.41 C:133 14.89 -15.41 C:113 19.44 -12.71 C:192 18.29 -13.39 C:193 18.29 -9.39 C:206 17.11 -11.41 C:167 19.44 -11.41 C:137 19.44 -8.76 C:43 14.82 -10.07 C:83 21.78 -11.25 C:48 15.99 -9.39 C:65 17.11 -12.71 C:72 18.29 -10.74 1 25 1 2 25 1 3 26 1 4 26 1 5 34 1 6 34 1 35 7 -1 35 8 -2 9 28 2 10 29 2 11 30 2 12 13 2 12 27 1 13 34 1 14 21 1 14 25 2 15 22 1 15 26 2 16 17 2 16 18 1 17 19 1 18 20 2 19 32 2 20 32 1 33 21 -2 36 22 -1 23 33 1 23 36 1 24 31 1 24 34 1 27 28 1 27 31 2 28 36 1 29 32 1 37 29 -1 30 36 1 30 37 1 31 37 1 33 35 1 35 37 1', 'C33H40O4', 500.351, 'C', 'ph55_755_9b', 3490, '', '', '1', 47, 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
(13603, 'Petiolin G', '', 'Aromatics', 'Benzophenones', '', '[CH3:204002][C:204001](=O)O[C@H:204]3[C@H:205]([CH3:206])O[C@@H:201](O[c:102]1[cH:103][c:104](O)[cH:105][c:106](O)[c:101]1[C:107](=O)[c:1]2[cH:2][c:3](O)[cH:4][c:5](O)[cH:6]2)[C@H:202](O)[C@@H:203]3O', 'CC(=O)O[C@H]3[C@H](C)O[C@@H](Oc1cc(O)cc(O)c1C(=O)c2cc(O)cc(O)c2)[C@H](O)[C@@H]3O', '[CH3:20][C:170](=O)O[C@H:74]3[C@H:68]([CH3:17])O[C@@H:99](O[c:159]1[cH:94][c:164](O)[cH:97][c:163](O)[c:107]1[C:198](=O)[c:144]2[cH:106][c:159](O)[cH:106][c:159](O)[cH:106]2)[C@H:70](O)[C@@H:69]3O', '32 34 C:204002 17.26 -4.08 C:206 18.46 -7.58 O 18.46 -6.18 O 14.82 -13.84 O 13.61 -18.76 O 18.46 -18.76 O 20.91 -11.78 O 18.46 -15.96 O 13.61 -10.38 O 13.61 -7.58 C:4 16.06 -18.76 C:105 19.68 -13.84 C:2 14.82 -16.65 C:6 17.26 -16.65 C:103 18.46 -11.78 O 16.06 -6.18 O 16.06 -11.78 O 17.26 -9.69 C:204001 17.26 -5.48 C:107 16.06 -14.56 C:3 14.82 -18.05 C:5 17.26 -18.05 C:104 19.68 -12.46 C:106 18.46 -14.56 C:1 16.06 -15.96 C:102 17.26 -12.46 C:101 17.26 -13.84 C:205 17.26 -8.28 C:202 14.82 -9.69 C:203 14.82 -8.28 C:201 16.06 -10.38 C:204 16.06 -7.58 1 19 1 28 2 -2 3 19 2 4 20 2 5 21 1 6 22 1 7 23 1 8 24 1 29 9 -2 30 10 -2 11 21 1 11 22 2 12 23 2 12 24 1 13 21 2 13 25 1 14 22 1 14 25 2 15 23 1 15 26 2 16 19 1 32 16 -1 17 26 1 31 17 -1 18 28 1 18 31 1 20 25 1 20 27 1 24 27 2 26 27 1 28 32 1 29 30 1 29 31 1 30 32 1', '32 34 C 17.26 -4.08 C 18.46 -7.58 O 18.46 -6.18 O 14.82 -13.84 O 13.61 -18.76 O 18.46 -18.76 O 20.91 -11.78 O 18.46 -15.96 O 13.61 -10.38 O 13.61 -7.58 C 16.06 -18.76 C 19.68 -13.84 C 14.82 -16.65 C 17.26 -16.65 C 18.46 -11.78 O 16.06 -6.18 O 16.06 -11.78 O 17.26 -9.69 C 17.26 -5.48 C 16.06 -14.56 C 14.82 -18.05 C 17.26 -18.05 C 19.68 -12.46 C 18.46 -14.56 C 16.06 -15.96 C 17.26 -12.46 C 17.26 -13.84 C 17.26 -8.28 C 14.82 -9.69 C 14.82 -8.28 C 16.06 -10.38 C 16.06 -7.58 1 19 1 28 2 -2 3 19 2 4 20 2 5 21 1 6 22 1 7 23 1 8 24 1 29 9 -2 30 10 -2 11 21 1 11 22 2 12 23 2 12 24 1 13 21 2 13 25 1 14 22 1 14 25 2 15 23 1 15 26 2 16 19 1 32 16 -1 17 26 1 31 17 -1 18 28 1 18 31 1 20 25 1 20 27 1 24 27 2 26 27 1 28 32 1 29 30 1 29 31 1 30 32 1', '32 34 C:20 17.26 -4.08 C:17 18.46 -7.58 O 18.46 -6.18 O 14.82 -13.84 O 13.61 -18.76 O 18.46 -18.76 O 20.91 -11.78 O 18.46 -15.96 O 13.61 -10.38 O 13.61 -7.58 C:106 16.06 -18.76 C:97 19.68 -13.84 C:106 14.82 -16.65 C:106 17.26 -16.65 C:94 18.46 -11.78 O 16.06 -6.18 O 16.06 -11.78 O 17.26 -9.69 C:170 17.26 -5.48 C:198 16.06 -14.56 C:159 14.82 -18.05 C:159 17.26 -18.05 C:164 19.68 -12.46 C:163 18.46 -14.56 C:144 16.06 -15.96 C:159 17.26 -12.46 C:107 17.26 -13.84 C:68 17.26 -8.28 C:70 14.82 -9.69 C:69 14.82 -8.28 C:99 16.06 -10.38 C:74 16.06 -7.58 1 19 1 28 2 -2 3 19 2 4 20 2 5 21 1 6 22 1 7 23 1 8 24 1 29 9 -2 30 10 -2 11 21 1 11 22 2 12 23 2 12 24 1 13 21 2 13 25 1 14 22 1 14 25 2 15 23 1 15 26 2 16 19 1 32 16 -1 17 26 1 31 17 -1 18 28 1 18 31 1 20 25 1 20 27 1 24 27 2 26 27 1 28 32 1 29 30 1 29 31 1 30 32 1', 'C21H22O11', 450.218, 'A', 'cpb09_1171_2', 3494, '', '', '1', 47, NULL, NULL),
(13604, 'Macluraxanthone B', '', 'Aromatics', 'Xanthones', '', '[CH2:2003]=[CH:2002][C:2001]([CH3:2004])([CH3:2005])[c:2]3[c:3](O)[c:4]([CH2:101][CH:102]=[C:103]([CH3:104])[CH3:105])[c:4001]2o[c:10001]1[cH:5][c:6](O)[c:7](O)[cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'C=CC(C)(C)c3c(O)c(CC=C(C)C)c2oc1cc(O)c(O)cc1c(=O)c2c3O', '[CH2:109]=[CH:151][C:41]([CH3:29])([CH3:29])[c:115]3[c:161](O)[c:107]([CH2:22][CH:123]=[C:131]([CH3:18])[CH3:26])[c:153]2o[c:151]1[cH:103][c:144](O)[c:154](O)[cH:108][c:112]1[c:180](=O)[c:102]2[c:160]3O', '29 31 C:2003 23.27 -8.63 C:104 18.44 -15.60 C:105 20.85 -15.65 C:2004 22.07 -9.34 C:2005 20.85 -7.20 O 16.10 -7.20 O 11.27 -11.47 O 11.27 -8.63 O 20.85 -11.47 O 18.44 -7.20 C:2002 22.07 -7.91 C:102 19.66 -13.53 C:5 13.67 -11.47 C:8 13.67 -8.63 C:101 18.44 -12.82 O 16.10 -11.47 C:103 19.66 -14.92 C:6 12.47 -10.75 C:7 12.47 -9.34 C:3 19.66 -10.75 C:1 18.44 -8.63 C:4 18.44 -11.47 C:2 19.66 -9.34 C:9 16.10 -8.63 C:10001 14.88 -10.75 C:8001 14.88 -9.34 C:4001 17.30 -10.75 C:9001 17.30 -9.34 C:2001 20.85 -8.63 1 11 2 2 17 1 3 17 1 4 29 1 5 29 1 6 24 2 7 18 1 8 19 1 9 20 1 10 21 1 11 29 1 12 15 1 12 17 2 13 18 1 13 25 2 14 19 1 14 26 2 15 22 1 16 25 1 16 27 1 18 19 2 20 22 2 20 23 1 21 23 2 21 28 1 22 27 1 23 29 1 24 26 1 24 28 1 25 26 1 27 28 2', '29 31 C 23.27 -8.63 C 18.44 -15.60 C 20.85 -15.65 C 22.07 -9.34 C 20.85 -7.20 O 16.10 -7.20 O 11.27 -11.47 O 11.27 -8.63 O 20.85 -11.47 O 18.44 -7.20 C 22.07 -7.91 C 19.66 -13.53 C 13.67 -11.47 C 13.67 -8.63 C 18.44 -12.82 O 16.10 -11.47 C 19.66 -14.92 C 12.47 -10.75 C 12.47 -9.34 C 19.66 -10.75 C 18.44 -8.63 C 18.44 -11.47 C 19.66 -9.34 C 16.10 -8.63 C 14.88 -10.75 C 14.88 -9.34 C 17.30 -10.75 C 17.30 -9.34 C 20.85 -8.63 1 11 2 2 17 1 3 17 1 4 29 1 5 29 1 6 24 2 7 18 1 8 19 1 9 20 1 10 21 1 11 29 1 12 15 1 12 17 2 13 18 1 13 25 2 14 19 1 14 26 2 15 22 1 16 25 1 16 27 1 18 19 2 20 22 2 20 23 1 21 23 2 21 28 1 22 27 1 23 29 1 24 26 1 24 28 1 25 26 1 27 28 2', '29 31 C:109 23.27 -8.63 C:18 18.44 -15.60 C:26 20.85 -15.65 C:29 22.07 -9.34 C:29 20.85 -7.20 O 16.10 -7.20 O 11.27 -11.47 O 11.27 -8.63 O 20.85 -11.47 O 18.44 -7.20 C:151 22.07 -7.91 C:123 19.66 -13.53 C:103 13.67 -11.47 C:108 13.67 -8.63 C:22 18.44 -12.82 O 16.10 -11.47 C:131 19.66 -14.92 C:144 12.47 -10.75 C:154 12.47 -9.34 C:161 19.66 -10.75 C:160 18.44 -8.63 C:107 18.44 -11.47 C:115 19.66 -9.34 C:180 16.10 -8.63 C:151 14.88 -10.75 C:112 14.88 -9.34 C:153 17.30 -10.75 C:102 17.30 -9.34 C:41 20.85 -8.63 1 11 2 2 17 1 3 17 1 4 29 1 5 29 1 6 24 2 7 18 1 8 19 1 9 20 1 10 21 1 11 29 1 12 15 1 12 17 2 13 18 1 13 25 2 14 19 1 14 26 2 15 22 1 16 25 1 16 27 1 18 19 2 20 22 2 20 23 1 21 23 2 21 28 1 22 27 1 23 29 1 24 26 1 24 28 1 25 26 1 27 28 2', 'C23H24O6', 396.242, 'D', 'np00_1537_1', 3495, '', '', '1', 47, NULL, NULL),
(13605, 'Macluraxanthone C', '', 'Aromatics', 'Xanthones', '', '[CH2:103]=[CH:102][C:101]([CH3:104])([CH3:105])[c:2]3[c:3](O)[c:4]([CH2:201][CH:202]=[C:203]([CH3:205])[CH3:204])[c:4001]2o[c:10001]1[c:5](O)[c:6](O)[cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'C=CC(C)(C)c3c(O)c(CC=C(C)C)c2oc1c(O)c(O)ccc1c(=O)c2c3O', '[CH2:114]=[CH:150][C:44]([CH3:27])([CH3:27])[c:107]3[c:164](O)[c:102]([CH2:22][CH:123]=[C:132]([CH3:26])[CH3:18])[c:155]2o[c:145]1[c:130](O)[c:149](O)[cH:112][cH:118][c:114]1[c:181](=O)[c:104]2[c:161]3O', '29 31 C:103 23.26 -8.64 C:205 20.83 -15.62 C:204 18.41 -15.57 C:104 22.05 -9.34 C:105 20.83 -7.20 O 16.08 -7.20 O 11.26 -11.47 O 20.83 -11.47 O 13.65 -12.86 O 18.41 -7.20 C:102 22.05 -7.92 C:202 19.64 -13.51 C:7 12.46 -9.34 C:8 13.65 -8.64 C:201 18.41 -12.80 O 16.08 -11.47 C:203 19.64 -14.89 C:6 12.46 -10.75 C:3 19.64 -10.75 C:5 13.65 -11.47 C:1 18.41 -8.64 C:4 18.41 -11.47 C:2 19.64 -9.34 C:9 16.08 -8.64 C:8001 14.86 -9.34 C:10001 14.86 -10.75 C:4001 17.28 -10.75 C:9001 17.28 -9.34 C:101 20.83 -8.64 1 11 2 2 17 1 3 17 1 4 29 1 5 29 1 6 24 2 7 18 1 8 19 1 9 20 1 10 21 1 11 29 1 12 15 1 12 17 2 13 14 1 13 18 2 14 25 2 15 22 1 16 26 1 16 27 1 18 20 1 19 22 2 19 23 1 20 26 2 21 23 2 21 28 1 22 27 1 23 29 1 24 25 1 24 28 1 25 26 1 27 28 2', '29 31 C 23.26 -8.64 C 20.83 -15.62 C 18.41 -15.57 C 22.05 -9.34 C 20.83 -7.20 O 16.08 -7.20 O 11.26 -11.47 O 20.83 -11.47 O 13.65 -12.86 O 18.41 -7.20 C 22.05 -7.92 C 19.64 -13.51 C 12.46 -9.34 C 13.65 -8.64 C 18.41 -12.80 O 16.08 -11.47 C 19.64 -14.89 C 12.46 -10.75 C 19.64 -10.75 C 13.65 -11.47 C 18.41 -8.64 C 18.41 -11.47 C 19.64 -9.34 C 16.08 -8.64 C 14.86 -9.34 C 14.86 -10.75 C 17.28 -10.75 C 17.28 -9.34 C 20.83 -8.64 1 11 2 2 17 1 3 17 1 4 29 1 5 29 1 6 24 2 7 18 1 8 19 1 9 20 1 10 21 1 11 29 1 12 15 1 12 17 2 13 14 1 13 18 2 14 25 2 15 22 1 16 26 1 16 27 1 18 20 1 19 22 2 19 23 1 20 26 2 21 23 2 21 28 1 22 27 1 23 29 1 24 25 1 24 28 1 25 26 1 27 28 2', '29 31 C:114 23.26 -8.64 C:26 20.83 -15.62 C:18 18.41 -15.57 C:27 22.05 -9.34 C:27 20.83 -7.20 O 16.08 -7.20 O 11.26 -11.47 O 20.83 -11.47 O 13.65 -12.86 O 18.41 -7.20 C:150 22.05 -7.92 C:123 19.64 -13.51 C:112 12.46 -9.34 C:118 13.65 -8.64 C:22 18.41 -12.80 O 16.08 -11.47 C:132 19.64 -14.89 C:149 12.46 -10.75 C:164 19.64 -10.75 C:130 13.65 -11.47 C:161 18.41 -8.64 C:102 18.41 -11.47 C:107 19.64 -9.34 C:181 16.08 -8.64 C:114 14.86 -9.34 C:145 14.86 -10.75 C:155 17.28 -10.75 C:104 17.28 -9.34 C:44 20.83 -8.64 1 11 2 2 17 1 3 17 1 4 29 1 5 29 1 6 24 2 7 18 1 8 19 1 9 20 1 10 21 1 11 29 1 12 15 1 12 17 2 13 14 1 13 18 2 14 25 2 15 22 1 16 26 1 16 27 1 18 20 1 19 22 2 19 23 1 20 26 2 21 23 2 21 28 1 22 27 1 23 29 1 24 25 1 24 28 1 25 26 1 27 28 2', 'C23H24O6', 396.242, 'C', 'np00_1537_2', 3495, '', '', '1', 47, NULL, NULL),
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(13615, 'Varixanthone', '', 'Aromatics', 'Xanthones', '', '[CH2:202002]=[C:202001]([CH3:202003])[C@H:202]4[CH2:203]O[c:7]3[c:6]([CH3:6001])[cH:5][c:10001]2o[c:4001]1[c:4]([CH2:101][C@H:102](O[CH:102001]=O)[C:103]([CH3:105])([CH3:104])O)[cH:3][cH:2][c:1](O)[c:9001]1[c:9](=O)[c:8001]2[c:8]3[C@@H:201]4O', 'C=C(C)[C@H]4COc3c(C)cc2oc1c(C[C@H](OC=O)C(C)(C)O)ccc(O)c1c(=O)c2c3[C@@H]4O', '[CH2:113]=[C:142]([CH3:23])[C@H:45]4[CH2:65]O[c:150]3[c:139]([CH3:17])[cH:119][c:152]2o[c:161]1[c:115]([CH2:30][C@H:79](O[CH:160]=O)[C:72]([CH3:26])([CH3:25])O)[cH:138][cH:110][c:153](O)[c:109]1[c:184](=O)[c:117]2[c:121]3[C@@H:63]4O', '34 37 C:202002 15.37 -5.46 C:202003 12.99 -5.46 C:6001 12.99 -12.49 C:105 20.24 -16.61 C:104 17.81 -16.61 O 16.53 -15.93 O 17.81 -8.24 O 20.24 -8.28 O 16.53 -7.50 O 19.03 -17.34 C:102001 16.53 -14.53 C:2 21.47 -10.34 C:3 21.47 -11.77 C:5 15.37 -12.49 C:203 12.99 -8.28 C:101 20.24 -13.83 O 17.81 -13.83 O 12.99 -9.65 O 17.81 -12.49 C:202001 14.19 -6.15 C:6 14.19 -11.77 C:1 20.24 -9.65 C:4 20.24 -12.49 C:7 14.19 -10.34 C:8 15.37 -9.65 C:9 17.81 -9.65 C:10001 16.53 -11.77 C:4001 19.03 -11.77 C:9001 19.03 -10.34 C:8001 16.53 -10.34 C:201 15.37 -8.24 C:102 19.03 -14.53 C:202 14.19 -7.56 C:103 19.03 -15.93 1 20 2 2 20 1 3 21 1 4 34 1 5 34 1 6 11 2 7 26 2 8 22 1 31 9 -1 10 34 1 11 17 1 12 13 1 12 22 2 13 23 2 14 21 2 14 27 1 15 18 1 15 33 1 16 23 1 16 32 1 32 17 -1 18 24 1 19 27 1 19 28 1 33 20 -2 21 24 1 22 29 1 23 28 1 24 25 2 25 30 1 25 31 1 26 29 1 26 30 1 27 30 2 28 29 2 31 33 1 32 34 1', '34 37 C 15.37 -5.46 C 12.99 -5.46 C 12.99 -12.49 C 20.24 -16.61 C 17.81 -16.61 O 16.53 -15.93 O 17.81 -8.24 O 20.24 -8.28 O 16.53 -7.50 O 19.03 -17.34 C 16.53 -14.53 C 21.47 -10.34 C 21.47 -11.77 C 15.37 -12.49 C 12.99 -8.28 C 20.24 -13.83 O 17.81 -13.83 O 12.99 -9.65 O 17.81 -12.49 C 14.19 -6.15 C 14.19 -11.77 C 20.24 -9.65 C 20.24 -12.49 C 14.19 -10.34 C 15.37 -9.65 C 17.81 -9.65 C 16.53 -11.77 C 19.03 -11.77 C 19.03 -10.34 C 16.53 -10.34 C 15.37 -8.24 C 19.03 -14.53 C 14.19 -7.56 C 19.03 -15.93 1 20 2 2 20 1 3 21 1 4 34 1 5 34 1 6 11 2 7 26 2 8 22 1 31 9 -1 10 34 1 11 17 1 12 13 1 12 22 2 13 23 2 14 21 2 14 27 1 15 18 1 15 33 1 16 23 1 16 32 1 32 17 -1 18 24 1 19 27 1 19 28 1 33 20 -2 21 24 1 22 29 1 23 28 1 24 25 2 25 30 1 25 31 1 26 29 1 26 30 1 27 30 2 28 29 2 31 33 1 32 34 1', '34 37 C:113 15.37 -5.46 C:23 12.99 -5.46 C:17 12.99 -12.49 C:26 20.24 -16.61 C:25 17.81 -16.61 O 16.53 -15.93 O 17.81 -8.24 O 20.24 -8.28 O 16.53 -7.50 O 19.03 -17.34 C:160 16.53 -14.53 C:110 21.47 -10.34 C:138 21.47 -11.77 C:119 15.37 -12.49 C:65 12.99 -8.28 C:30 20.24 -13.83 O 17.81 -13.83 O 12.99 -9.65 O 17.81 -12.49 C:142 14.19 -6.15 C:139 14.19 -11.77 C:153 20.24 -9.65 C:115 20.24 -12.49 C:150 14.19 -10.34 C:121 15.37 -9.65 C:184 17.81 -9.65 C:152 16.53 -11.77 C:161 19.03 -11.77 C:109 19.03 -10.34 C:117 16.53 -10.34 C:63 15.37 -8.24 C:79 19.03 -14.53 C:45 14.19 -7.56 C:72 19.03 -15.93 1 20 2 2 20 1 3 21 1 4 34 1 5 34 1 6 11 2 7 26 2 8 22 1 31 9 -1 10 34 1 11 17 1 12 13 1 12 22 2 13 23 2 14 21 2 14 27 1 15 18 1 15 33 1 16 23 1 16 32 1 32 17 -1 18 24 1 19 27 1 19 28 1 33 20 -2 21 24 1 22 29 1 23 28 1 24 25 2 25 30 1 25 31 1 26 29 1 26 30 1 27 30 2 28 29 2 31 33 1 32 34 1', 'C26H28O8', 468.273, 'C', 'np02_364_4', 3498, '', '', '1', 47, NULL, NULL),
(13616, 'Triacetylvaritriol', '', 'Aromatics', 'Phenyl-alkanoids', 'Phenylmethanoids', '[CH3:2001]O[c:2]2[cH:3][cH:4][cH:5][c:6]([CH:101]=[CH:102][C@H:103]1O[C@@H:106]([CH3:107])[C@H:105](O[C:105001]([CH3:105002])=O)[C@@H:104]1O[C:104001]([CH3:104002])=O)[c:1]2[CH2:7]O[C:7001]([CH3:7002])=O', 'COc2cccc(C=C[C@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H]1OC(C)=O)c2COC(C)=O', '[CH3:56]O[c:159]2[cH:110][cH:130][cH:119][c:139]([CH:130]=[CH:130][C@H:82]1O[C@@H:78]([CH3:19])[C@H:76](O[C:170]([CH3:21])=O)[C@@H:75]1O[C:170]([CH3:21])=O)[c:131]2[CH2:58]O[C:171]([CH3:21])=O', '29 30 C:2001 20.28 -18.13 C:7002 21.49 -10.40 C:105002 14.86 -4.72 C:104002 11.83 -9.51 C:107 18.17 -7.13 O 22.70 -12.52 O 17.08 -5.67 O 13.44 -7.71 C:101 17.87 -12.52 C:102 16.65 -11.80 C:4 16.65 -16.01 C:5 16.65 -14.61 C:3 17.87 -16.73 C:7 20.28 -13.91 O 20.28 -16.73 O 20.28 -12.52 O 15.12 -7.13 O 14.19 -10.02 O 17.79 -9.59 C:7001 21.49 -11.80 C:105001 15.69 -5.84 C:104001 13.15 -9.08 C:6 17.87 -13.91 C:2 19.08 -16.01 C:1 19.08 -14.61 C:106 17.35 -8.26 C:103 16.65 -10.40 C:105 15.95 -8.26 C:104 15.52 -9.59 1 15 1 2 20 1 3 21 1 4 22 1 26 5 -2 6 20 2 7 21 2 8 22 2 9 10 2 9 23 1 27 10 -2 11 12 2 11 13 1 12 23 1 13 24 2 14 16 1 14 25 1 15 24 1 16 20 1 17 21 1 28 17 -1 18 22 1 29 18 -1 19 26 1 19 27 1 23 25 2 24 25 1 26 28 1 27 29 1 28 29 1', '29 30 C 20.28 -18.13 C 21.49 -10.40 C 14.86 -4.72 C 11.83 -9.51 C 18.17 -7.13 O 22.70 -12.52 O 17.08 -5.67 O 13.44 -7.71 C 17.87 -12.52 C 16.65 -11.80 C 16.65 -16.01 C 16.65 -14.61 C 17.87 -16.73 C 20.28 -13.91 O 20.28 -16.73 O 20.28 -12.52 O 15.12 -7.13 O 14.19 -10.02 O 17.79 -9.59 C 21.49 -11.80 C 15.69 -5.84 C 13.15 -9.08 C 17.87 -13.91 C 19.08 -16.01 C 19.08 -14.61 C 17.35 -8.26 C 16.65 -10.40 C 15.95 -8.26 C 15.52 -9.59 1 15 1 2 20 1 3 21 1 4 22 1 26 5 -2 6 20 2 7 21 2 8 22 2 9 10 2 9 23 1 27 10 -2 11 12 2 11 13 1 12 23 1 13 24 2 14 16 1 14 25 1 15 24 1 16 20 1 17 21 1 28 17 -1 18 22 1 29 18 -1 19 26 1 19 27 1 23 25 2 24 25 1 26 28 1 27 29 1 28 29 1', '29 30 C:56 20.28 -18.13 C:21 21.49 -10.40 C:21 14.86 -4.72 C:21 11.83 -9.51 C:19 18.17 -7.13 O 22.70 -12.52 O 17.08 -5.67 O 13.44 -7.71 C:130 17.87 -12.52 C:130 16.65 -11.80 C:130 16.65 -16.01 C:119 16.65 -14.61 C:110 17.87 -16.73 C:58 20.28 -13.91 O 20.28 -16.73 O 20.28 -12.52 O 15.12 -7.13 O 14.19 -10.02 O 17.79 -9.59 C:171 21.49 -11.80 C:170 15.69 -5.84 C:170 13.15 -9.08 C:139 17.87 -13.91 C:159 19.08 -16.01 C:131 19.08 -14.61 C:78 17.35 -8.26 C:82 16.65 -10.40 C:76 15.95 -8.26 C:75 15.52 -9.59 1 15 1 2 20 1 3 21 1 4 22 1 26 5 -2 6 20 2 7 21 2 8 22 2 9 10 2 9 23 1 27 10 -2 11 12 2 11 13 1 12 23 1 13 24 2 14 16 1 14 25 1 15 24 1 16 20 1 17 21 1 28 17 -1 18 22 1 29 18 -1 19 26 1 19 27 1 23 25 2 24 25 1 26 28 1 27 29 1 28 29 1', 'C21H26O8', 406.22, 'C', 'np02_364_5', 3498, '', '', '1', 47, NULL, NULL),
(13617, 'Isopropilidenevaritriol', '', 'Aromatics', 'Phenyl-alkanoids', 'Phenylmethanoids', '[CH3:2001]O[c:2]3[cH:3][cH:4][cH:5][c:6]([CH:101]=[CH:102][C@H:103]1O[C@@H:106]([CH3:107])[C@@H:105]2O[C@@:201]([CH3:202])([CH3:203])O[C@H:104]12)[c:1]3[CH2:7]O', 'COc3cccc(C=C[C@H]1O[C@@H](C)[C@@H]2O[C@@](C)(C)O[C@H]12)c3CO', '[CH3:56]O[c:158]3[cH:110][cH:129][cH:119][c:137]([CH:130]=[CH:131][C@H:86]1O[C@@H:80]([CH3:19])[C@@H:86]2O[C@@:115]([CH3:28])([CH3:26])O[C@H:85]12)[c:127]3[CH2:57]O', '23 25 C:2001 21.19 -16.96 C:107 19.08 -5.96 C:202 13.96 -5.84 C:203 13.35 -7.73 O 21.19 -11.36 C:101 18.78 -11.36 C:102 17.57 -10.65 C:4 17.57 -14.86 C:5 17.57 -13.46 C:3 18.78 -15.57 C:7 21.19 -12.76 O 21.19 -15.57 O 18.70 -8.43 O 15.74 -6.26 O 15.04 -8.43 C:6 18.78 -12.76 C:2 19.99 -14.86 C:1 19.99 -13.46 C:106 18.26 -7.09 C:103 17.57 -9.25 C:105 16.87 -7.09 C:104 16.44 -8.43 C:201 14.61 -7.09 1 12 1 19 2 -2 23 3 -1 23 4 -2 5 11 1 6 7 2 6 16 1 20 7 -2 8 9 2 8 10 1 9 16 1 10 17 2 11 18 1 12 17 1 13 19 1 13 20 1 21 14 -1 14 23 1 22 15 -1 15 23 1 16 18 2 17 18 1 19 21 1 20 22 1 21 22 1', '23 25 C 21.19 -16.96 C 19.08 -5.96 C 13.96 -5.84 C 13.35 -7.73 O 21.19 -11.36 C 18.78 -11.36 C 17.57 -10.65 C 17.57 -14.86 C 17.57 -13.46 C 18.78 -15.57 C 21.19 -12.76 O 21.19 -15.57 O 18.70 -8.43 O 15.74 -6.26 O 15.04 -8.43 C 18.78 -12.76 C 19.99 -14.86 C 19.99 -13.46 C 18.26 -7.09 C 17.57 -9.25 C 16.87 -7.09 C 16.44 -8.43 C 14.61 -7.09 1 12 1 19 2 -2 23 3 -1 23 4 -2 5 11 1 6 7 2 6 16 1 20 7 -2 8 9 2 8 10 1 9 16 1 10 17 2 11 18 1 12 17 1 13 19 1 13 20 1 21 14 -1 14 23 1 22 15 -1 15 23 1 16 18 2 17 18 1 19 21 1 20 22 1 21 22 1', '23 25 C:56 21.19 -16.96 C:19 19.08 -5.96 C:28 13.96 -5.84 C:26 13.35 -7.73 O 21.19 -11.36 C:130 18.78 -11.36 C:131 17.57 -10.65 C:129 17.57 -14.86 C:119 17.57 -13.46 C:110 18.78 -15.57 C:57 21.19 -12.76 O 21.19 -15.57 O 18.70 -8.43 O 15.74 -6.26 O 15.04 -8.43 C:137 18.78 -12.76 C:158 19.99 -14.86 C:127 19.99 -13.46 C:80 18.26 -7.09 C:86 17.57 -9.25 C:86 16.87 -7.09 C:85 16.44 -8.43 C:115 14.61 -7.09 1 12 1 19 2 -2 23 3 -1 23 4 -2 5 11 1 6 7 2 6 16 1 20 7 -2 8 9 2 8 10 1 9 16 1 10 17 2 11 18 1 12 17 1 13 19 1 13 20 1 21 14 -1 14 23 1 22 15 -1 15 23 1 16 18 2 17 18 1 19 21 1 20 22 1 21 22 1', 'C18H24O5', 320.19, 'C', 'np02_364_6', 3498, '', '', '1', 47, 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
(13618, 'Triacetylvarioxirane', '', 'Aromatics', 'Phenyl-alkanoids', 'Phenylmethanoids', '[CH3:2001]O[c:2]2[cH:3][cH:4][cH:5][c:6]([CH:101]=[CH:102][C@H:103](O[C:103001]([CH3:103002])=O)[C@H:104](O[C:104001]([CH3:104002])=O)[C@H:105]1O[C@@H:106]1[CH3:107])[c:1]2[CH2:7]O[C:7001]([CH3:7002])=O', 'COc2cccc(C=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1C)c2COC(C)=O', '[CH3:56]O[c:159]2[cH:111][cH:130][cH:119][c:138]([CH:132]=[CH:126][C@H:74](O[C:170]([CH3:21])=O)[C@H:73](O[C:170]([CH3:21])=O)[C@H:53]1O[C@@H:27]1[CH3:17])[c:132]2[CH2:58]O[C:171]([CH3:21])=O', '29 30 C:2001 19.66 -17.38 C:7002 22.08 -11.78 C:103002 19.66 -9.00 C:104002 12.39 -11.73 C:107 13.62 -5.43 O 20.87 -9.68 O 18.46 -11.10 O 14.80 -11.75 C:101 17.25 -11.78 C:102 16.03 -11.08 C:4 16.03 -15.27 C:5 16.03 -13.88 C:3 17.25 -15.99 C:7 19.66 -13.18 O 19.66 -15.99 O 19.66 -11.78 O 17.25 -8.97 O 13.61 -9.64 O 13.61 -8.24 C:7001 20.87 -11.08 C:103001 18.46 -9.69 C:104001 13.61 -11.05 C:6 17.25 -13.18 C:2 18.46 -15.27 C:1 18.46 -13.88 C:106 13.62 -6.84 C:103 16.03 -9.66 C:104 14.80 -8.95 C:105 14.80 -7.55 1 15 1 2 20 1 3 21 1 4 22 1 26 5 -2 6 20 2 7 21 2 8 22 2 9 10 2 9 23 1 10 27 1 11 12 2 11 13 1 12 23 1 13 24 2 14 16 1 14 25 1 15 24 1 16 20 1 17 21 1 27 17 -1 18 22 1 28 18 -2 19 26 1 29 19 -1 23 25 2 24 25 1 26 29 1 27 28 1 28 29 1', '29 30 C 19.66 -17.38 C 22.08 -11.78 C 19.66 -9.00 C 12.39 -11.73 C 13.62 -5.43 O 20.87 -9.68 O 18.46 -11.10 O 14.80 -11.75 C 17.25 -11.78 C 16.03 -11.08 C 16.03 -15.27 C 16.03 -13.88 C 17.25 -15.99 C 19.66 -13.18 O 19.66 -15.99 O 19.66 -11.78 O 17.25 -8.97 O 13.61 -9.64 O 13.61 -8.24 C 20.87 -11.08 C 18.46 -9.69 C 13.61 -11.05 C 17.25 -13.18 C 18.46 -15.27 C 18.46 -13.88 C 13.62 -6.84 C 16.03 -9.66 C 14.80 -8.95 C 14.80 -7.55 1 15 1 2 20 1 3 21 1 4 22 1 26 5 -2 6 20 2 7 21 2 8 22 2 9 10 2 9 23 1 10 27 1 11 12 2 11 13 1 12 23 1 13 24 2 14 16 1 14 25 1 15 24 1 16 20 1 17 21 1 27 17 -1 18 22 1 28 18 -2 19 26 1 29 19 -1 23 25 2 24 25 1 26 29 1 27 28 1 28 29 1', '29 30 C:56 19.66 -17.38 C:21 22.08 -11.78 C:21 19.66 -9.00 C:21 12.39 -11.73 C:17 13.62 -5.43 O 20.87 -9.68 O 18.46 -11.10 O 14.80 -11.75 C:132 17.25 -11.78 C:126 16.03 -11.08 C:130 16.03 -15.27 C:119 16.03 -13.88 C:111 17.25 -15.99 C:58 19.66 -13.18 O 19.66 -15.99 O 19.66 -11.78 O 17.25 -8.97 O 13.61 -9.64 O 13.61 -8.24 C:171 20.87 -11.08 C:170 18.46 -9.69 C:170 13.61 -11.05 C:138 17.25 -13.18 C:159 18.46 -15.27 C:132 18.46 -13.88 C:27 13.62 -6.84 C:74 16.03 -9.66 C:73 14.80 -8.95 C:53 14.80 -7.55 1 15 1 2 20 1 3 21 1 4 22 1 26 5 -2 6 20 2 7 21 2 8 22 2 9 10 2 9 23 1 10 27 1 11 12 2 11 13 1 12 23 1 13 24 2 14 16 1 14 25 1 15 24 1 16 20 1 17 21 1 27 17 -1 18 22 1 28 18 -2 19 26 1 29 19 -1 23 25 2 24 25 1 26 29 1 27 28 1 28 29 1', 'C21H26O8', 406.22, 'C', 'np02_364_7', 3498, '', '', '1', 47, NULL, NULL),
(13619, 'Diacetyldihydroterrein', '', 'Miscellanea', 'Cyclopentanones', '', '[CH3:4003][CH2:4002][CH2:4001][C:4]1=[CH:5][C:1](=O)[C@H:2](O[C:2001]([CH3:2002])=O)[C@H:3]1O[C:3001]([CH3:3002])=O', 'CCCC1=CC(=O)[C@H](OC(C)=O)[C@H]1OC(C)=O', '[CH3:14][CH2:20][CH2:32][C:130]1=[CH:174][C:197](=O)[C@H:76](O[C:170]([CH3:9999])=O)[C@H:78]1O[C:170]([CH3:9999])=O', '17 17 C:4003 20.15 -15.22 C:2002 14.31 -8.10 C:3002 14.76 -14.00 O 16.67 -7.59 O 14.76 -11.56 O 18.38 -8.10 C:5 19.51 -10.34 C:4002 19.33 -14.09 C:4001 19.90 -12.78 O 15.92 -9.90 O 16.86 -12.78 C:2001 15.63 -8.53 C:3001 15.46 -12.78 C:1 18.38 -9.51 C:4 19.08 -11.67 C:2 17.25 -10.34 C:3 17.68 -11.67 1 8 1 2 12 1 3 13 1 4 12 2 5 13 2 6 14 2 7 14 1 7 15 2 8 9 1 9 15 1 10 12 1 16 10 -1 11 13 1 17 11 -2 14 16 1 15 17 1 16 17 1', '17 17 C 20.15 -15.22 C 14.31 -8.10 C 14.76 -14.00 O 16.67 -7.59 O 14.76 -11.56 O 18.38 -8.10 C 19.51 -10.34 C 19.33 -14.09 C 19.90 -12.78 O 15.92 -9.90 O 16.86 -12.78 C 15.63 -8.53 C 15.46 -12.78 C 18.38 -9.51 C 19.08 -11.67 C 17.25 -10.34 C 17.68 -11.67 1 8 1 2 12 1 3 13 1 4 12 2 5 13 2 6 14 2 7 14 1 7 15 2 8 9 1 9 15 1 10 12 1 16 10 -1 11 13 1 17 11 -2 14 16 1 15 17 1 16 17 1', '17 17 C:14 20.15 -15.22 C 14.31 -8.10 C 14.76 -14.00 O 16.67 -7.59 O 14.76 -11.56 O 18.38 -8.10 C:174 19.51 -10.34 C:20 19.33 -14.09 C:32 19.90 -12.78 O 15.92 -9.90 O 16.86 -12.78 C:170 15.63 -8.53 C:170 15.46 -12.78 C:197 18.38 -9.51 C:130 19.08 -11.67 C:76 17.25 -10.34 C:78 17.68 -11.67 1 8 1 2 12 1 3 13 1 4 12 2 5 13 2 6 14 2 7 14 1 7 15 2 8 9 1 9 15 1 10 12 1 16 10 -1 11 13 1 17 11 -2 14 16 1 15 17 1 16 17 1', 'C12H16O5', 240.125, 'C', 'np02_364_9', 3498, '', '', '1', 47, NULL, NULL),
(13620, 'Globulixanthone A', '', 'Aromatics', 'Xanthones', '', '[CH2:104]=[C:103]([CH3:105])[CH:102]=[CH:101][c:7]3[cH:8][c:8001]2[c:9](=O)[c:9001]1[c:1](O)[cH:2][cH:3][cH:4][c:4001]1o[c:10001]2[c:5](O[CH3:5001])[c:6]3O', 'C=C(C)C=Cc3cc2c(=O)c1c(O)cccc1oc2c(OC)c3O', '[CH2:119]=[C:139]([CH3:18])[CH:134]=[CH:122][c:117]3[cH:111][c:128]2[c:182](=O)[c:108]1[c:161](O)[cH:110][cH:137][cH:107][c:156]1o[c:151]2[c:146](O[CH3:61])[c:142]3O', '24 26 C:104 11.76 -9.37 C:5001 15.36 -15.60 C:105 12.95 -7.24 O 19.04 -9.32 O 21.48 -9.33 O 14.23 -13.56 C:102 14.23 -9.31 C:101 14.23 -10.71 C:3 22.69 -12.84 C:2 22.69 -11.43 C:4 21.48 -13.52 C:8 16.57 -10.73 O 16.57 -14.92 O 19.04 -13.52 C:103 12.95 -8.64 C:1 21.48 -10.73 C:7 15.42 -11.43 C:6 15.42 -12.84 C:5 16.57 -13.52 C:9 19.04 -10.73 C:4001 20.27 -12.84 C:8001 17.82 -11.43 C:10001 17.82 -12.84 C:9001 20.27 -11.43 1 15 2 2 13 1 3 15 1 4 20 2 5 16 1 6 18 1 7 8 2 7 15 1 8 17 1 9 10 1 9 11 2 10 16 2 11 21 1 12 17 2 12 22 1 13 19 1 14 21 1 14 23 1 16 24 1 17 18 1 18 19 2 19 23 1 20 22 1 20 24 1 21 24 2 22 23 2', '24 26 C 11.76 -9.37 C 15.36 -15.60 C 12.95 -7.24 O 19.04 -9.32 O 21.48 -9.33 O 14.23 -13.56 C 14.23 -9.31 C 14.23 -10.71 C 22.69 -12.84 C 22.69 -11.43 C 21.48 -13.52 C 16.57 -10.73 O 16.57 -14.92 O 19.04 -13.52 C 12.95 -8.64 C 21.48 -10.73 C 15.42 -11.43 C 15.42 -12.84 C 16.57 -13.52 C 19.04 -10.73 C 20.27 -12.84 C 17.82 -11.43 C 17.82 -12.84 C 20.27 -11.43 1 15 2 2 13 1 3 15 1 4 20 2 5 16 1 6 18 1 7 8 2 7 15 1 8 17 1 9 10 1 9 11 2 10 16 2 11 21 1 12 17 2 12 22 1 13 19 1 14 21 1 14 23 1 16 24 1 17 18 1 18 19 2 19 23 1 20 22 1 20 24 1 21 24 2 22 23 2', '24 26 C:119 11.76 -9.37 C:61 15.36 -15.60 C:18 12.95 -7.24 O 19.04 -9.32 O 21.48 -9.33 O 14.23 -13.56 C:134 14.23 -9.31 C:122 14.23 -10.71 C:137 22.69 -12.84 C:110 22.69 -11.43 C:107 21.48 -13.52 C:111 16.57 -10.73 O 16.57 -14.92 O 19.04 -13.52 C:139 12.95 -8.64 C:161 21.48 -10.73 C:117 15.42 -11.43 C:142 15.42 -12.84 C:146 16.57 -13.52 C:182 19.04 -10.73 C:156 20.27 -12.84 C:128 17.82 -11.43 C:151 17.82 -12.84 C:108 20.27 -11.43 1 15 2 2 13 1 3 15 1 4 20 2 5 16 1 6 18 1 7 8 2 7 15 1 8 17 1 9 10 1 9 11 2 10 16 2 11 21 1 12 17 2 12 22 1 13 19 1 14 21 1 14 23 1 16 24 1 17 18 1 18 19 2 19 23 1 20 22 1 20 24 1 21 24 2 22 23 2', 'C19H16O5', 324.2, 'D', 'np02_734_1', 3499, '', '', '1', 47, NULL, NULL),
(13621, 'Globulixanthone B', '', 'Aromatics', 'Xanthones', '', '[CH3:110][C:108]([CH3:109])=[CH:107][CH2:106][CH2:105][C@@:103]4([CH3:104])[CH:102]=[CH:101][c:8]2[c:7]([cH:6][c:5](O)[c:10001]3o[c:4001]1[cH:4][cH:3][cH:2][c:1](O)[c:9001]1[c:9](=O)[c:8001]23)O4', 'CC(C)=CCC[C@@]4(C)C=Cc2c(cc(O)c3oc1cccc(O)c1c(=O)c23)O4', '[CH3:26][C:132]([CH3:18])=[CH:121][CH2:23][CH2:40][C@@:80]4([CH3:26])[CH:132]=[CH:124][c:109]2[c:137]([cH:102][c:153](O)[c:151]3o[c:156]1[cH:106][cH:136][cH:110][c:162](O)[c:109]1[c:184](=O)[c:120]23)O4', '28 31 C:110 14.58 -5.61 C:109 16.29 -7.35 C:104 12.31 -12.04 O 18.53 -11.68 O 20.99 -11.68 O 16.10 -17.24 C:101 16.10 -11.68 C:102 14.89 -10.92 C:107 13.95 -7.95 C:3 22.17 -15.16 C:2 22.17 -13.75 C:4 20.99 -15.84 C:6 14.89 -15.16 C:106 14.30 -9.30 C:105 13.30 -10.28 O 13.66 -13.06 O 18.53 -15.84 C:108 14.89 -6.97 C:1 20.99 -13.06 C:5 16.10 -15.84 C:7 14.89 -13.75 C:8 16.10 -13.06 C:9 18.53 -13.06 C:4001 19.78 -15.16 C:10001 17.32 -15.16 C:9001 19.78 -13.75 C:8001 17.32 -13.75 C:103 13.66 -11.68 1 18 1 2 18 1 28 3 -2 4 23 2 5 19 1 6 20 1 7 8 2 7 22 1 8 28 1 9 14 1 9 18 2 10 11 1 10 12 2 11 19 2 12 24 1 13 20 2 13 21 1 14 15 1 28 15 -1 16 21 1 16 28 1 17 24 1 17 25 1 19 26 1 20 25 1 21 22 2 22 27 1 23 26 1 23 27 1 24 26 2 25 27 2', '28 31 C 14.58 -5.61 C 16.29 -7.35 C 12.31 -12.04 O 18.53 -11.68 O 20.99 -11.68 O 16.10 -17.24 C 16.10 -11.68 C 14.89 -10.92 C 13.95 -7.95 C 22.17 -15.16 C 22.17 -13.75 C 20.99 -15.84 C 14.89 -15.16 C 14.30 -9.30 C 13.30 -10.28 O 13.66 -13.06 O 18.53 -15.84 C 14.89 -6.97 C 20.99 -13.06 C 16.10 -15.84 C 14.89 -13.75 C 16.10 -13.06 C 18.53 -13.06 C 19.78 -15.16 C 17.32 -15.16 C 19.78 -13.75 C 17.32 -13.75 C 13.66 -11.68 1 18 1 2 18 1 28 3 -2 4 23 2 5 19 1 6 20 1 7 8 2 7 22 1 8 28 1 9 14 1 9 18 2 10 11 1 10 12 2 11 19 2 12 24 1 13 20 2 13 21 1 14 15 1 28 15 -1 16 21 1 16 28 1 17 24 1 17 25 1 19 26 1 20 25 1 21 22 2 22 27 1 23 26 1 23 27 1 24 26 2 25 27 2', '28 31 C:26 14.58 -5.61 C:18 16.29 -7.35 C:26 12.31 -12.04 O 18.53 -11.68 O 20.99 -11.68 O 16.10 -17.24 C:124 16.10 -11.68 C:132 14.89 -10.92 C:121 13.95 -7.95 C:136 22.17 -15.16 C:110 22.17 -13.75 C:106 20.99 -15.84 C:102 14.89 -15.16 C:23 14.30 -9.30 C:40 13.30 -10.28 O 13.66 -13.06 O 18.53 -15.84 C:132 14.89 -6.97 C:162 20.99 -13.06 C:153 16.10 -15.84 C:137 14.89 -13.75 C:109 16.10 -13.06 C:184 18.53 -13.06 C:156 19.78 -15.16 C:151 17.32 -15.16 C:109 19.78 -13.75 C:120 17.32 -13.75 C:80 13.66 -11.68 1 18 1 2 18 1 28 3 -2 4 23 2 5 19 1 6 20 1 7 8 2 7 22 1 8 28 1 9 14 1 9 18 2 10 11 1 10 12 2 11 19 2 12 24 1 13 20 2 13 21 1 14 15 1 28 15 -1 16 21 1 16 28 1 17 24 1 17 25 1 19 26 1 20 25 1 21 22 2 22 27 1 23 26 1 23 27 1 24 26 2 25 27 2', 'C23H22O5', 378.243, 'C', 'np02_734_2', 3499, '', '', '1', 47, NULL, NULL),
(13622, 'Mangostenol', '', 'Aromatics', 'Xanthones', '', '[CH2:104]=[C:103]([CH3:105])[CH:102](O)[CH2:101][c:2]3[c:3](O)[cH:4][c:4001]2o[c:10001]1[cH:5][c:6](O)[c:7](O[CH3:7001])[c:8]([CH2:201][CH:202]=[C:203]([CH3:205])[CH3:204])[c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'C=C(C)C(O)Cc3c(O)cc2oc1cc(O)c(OC)c(CC=C(C)C)c1c(=O)c2c3O', '[CH2:110]=[C:147]([CH3:18])[CH:76](O)[CH2:29][c:108]3[c:163](O)[cH:94][c:156]2o[c:155]1[cH:102][c:155](O)[c:143](O[CH3:61])[c:137]([CH2:26][CH:123]=[C:132]([CH3:26])[CH3:18])[c:111]1[c:182](=O)[c:103]2[c:161]3O', '31 33 C:104 23.31 -10.70 C:7001 9.97 -12.80 C:205 16.03 -7.90 C:204 13.61 -7.90 C:105 24.53 -12.80 O 16.03 -10.70 O 20.89 -14.90 O 11.19 -14.90 O 18.47 -10.70 O 22.10 -14.20 C:202 14.82 -10.00 C:4 18.47 -14.90 C:5 13.61 -14.90 C:201 13.61 -10.70 C:101 20.89 -12.10 O 11.19 -12.10 O 16.03 -14.90 C:203 14.82 -8.60 C:103 23.31 -12.10 C:3 19.68 -14.20 C:6 12.40 -14.20 C:1 18.47 -12.10 C:2 19.68 -12.80 C:7 12.40 -12.80 C:8 13.61 -12.10 C:9 16.03 -12.10 C:4001 17.26 -14.20 C:10001 14.82 -14.20 C:9001 17.26 -12.80 C:8001 14.82 -12.80 C:102 22.10 -12.80 1 19 2 2 16 1 3 18 1 4 18 1 5 19 1 6 26 2 7 20 1 8 21 1 9 22 1 10 31 1 11 14 1 11 18 2 12 20 1 12 27 2 13 21 1 13 28 2 14 25 1 15 23 1 15 31 1 16 24 1 17 27 1 17 28 1 19 31 1 20 23 2 21 24 2 22 23 1 22 29 2 24 25 1 25 30 2 26 29 1 26 30 1 27 29 1 28 30 1', '31 33 C 23.31 -10.70 C 9.97 -12.80 C 16.03 -7.90 C 13.61 -7.90 C 24.53 -12.80 O 16.03 -10.70 O 20.89 -14.90 O 11.19 -14.90 O 18.47 -10.70 O 22.10 -14.20 C 14.82 -10.00 C 18.47 -14.90 C 13.61 -14.90 C 13.61 -10.70 C 20.89 -12.10 O 11.19 -12.10 O 16.03 -14.90 C 14.82 -8.60 C 23.31 -12.10 C 19.68 -14.20 C 12.40 -14.20 C 18.47 -12.10 C 19.68 -12.80 C 12.40 -12.80 C 13.61 -12.10 C 16.03 -12.10 C 17.26 -14.20 C 14.82 -14.20 C 17.26 -12.80 C 14.82 -12.80 C 22.10 -12.80 1 19 2 2 16 1 3 18 1 4 18 1 5 19 1 6 26 2 7 20 1 8 21 1 9 22 1 10 31 1 11 14 1 11 18 2 12 20 1 12 27 2 13 21 1 13 28 2 14 25 1 15 23 1 15 31 1 16 24 1 17 27 1 17 28 1 19 31 1 20 23 2 21 24 2 22 23 1 22 29 2 24 25 1 25 30 2 26 29 1 26 30 1 27 29 1 28 30 1', '31 33 C:110 23.31 -10.70 C:61 9.97 -12.80 C:26 16.03 -7.90 C:18 13.61 -7.90 C:18 24.53 -12.80 O 16.03 -10.70 O 20.89 -14.90 O 11.19 -14.90 O 18.47 -10.70 O 22.10 -14.20 C:123 14.82 -10.00 C:94 18.47 -14.90 C:102 13.61 -14.90 C:26 13.61 -10.70 C:29 20.89 -12.10 O 11.19 -12.10 O 16.03 -14.90 C:132 14.82 -8.60 C:147 23.31 -12.10 C:163 19.68 -14.20 C:155 12.40 -14.20 C:161 18.47 -12.10 C:108 19.68 -12.80 C:143 12.40 -12.80 C:137 13.61 -12.10 C:182 16.03 -12.10 C:156 17.26 -14.20 C:155 14.82 -14.20 C:103 17.26 -12.80 C:111 14.82 -12.80 C:76 22.10 -12.80 1 19 2 2 16 1 3 18 1 4 18 1 5 19 1 6 26 2 7 20 1 8 21 1 9 22 1 10 31 1 11 14 1 11 18 2 12 20 1 12 27 2 13 21 1 13 28 2 14 25 1 15 23 1 15 31 1 16 24 1 17 27 1 17 28 1 19 31 1 20 23 2 21 24 2 22 23 1 22 29 2 24 25 1 25 30 2 26 29 1 26 30 1 27 29 1 28 30 1', 'C24H26O7', 426.253, 'C+D', 'np02_761_1', 3500, '', '', '1', 47, 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
(13639, 'Cudratricusxanthone J', '', 'Aromatics', 'Xanthones', '', '[CH3:204][C:203]([CH3:205])=[CH:202][CH2:201][c:8]2[c:7](O)[c:6](O)[cH:5][c:10001]3o[c:4001]1[c:4]4[c:3]([cH:2][c:1](O)[c:9001]1[c:9](=O)[c:8001]23)O[CH:102]([CH3:105])[C:101]4([CH3:103])[CH3:104]', 'CC(C)=CCc2c(O)c(O)cc3oc1c4c(cc(O)c1c(=O)c23)OC(C)C4(C)C', '[CH3:18][C:130]([CH3:26])=[CH:125][CH2:26][c:130]2[c:144](O)[c:154](O)[cH:101][c:153]3o[c:159]1[c:112]4[c:165]([cH:93][c:165](O)[c:104]1[c:182](=O)[c:109]23)O[CH:91]([CH3:15])[C:44]4([CH3:21])[CH3:26]', '29 32 C:204 14.85 -6.49 C:205 12.47 -6.49 C:105 22.06 -16.32 C:103 18.58 -14.94 C:104 19.99 -16.32 O 17.28 -9.33 O 12.47 -13.63 O 19.71 -9.33 O 12.47 -10.76 C:202 13.66 -8.61 C:2 20.92 -11.47 C:5 14.85 -13.55 C:201 14.85 -9.33 O 21.95 -13.82 O 17.28 -13.55 C:203 13.66 -7.21 C:6 13.66 -12.88 C:1 19.71 -10.76 C:7 13.66 -11.47 C:3 20.92 -12.88 C:8 14.85 -10.76 C:4 19.71 -13.55 C:9 17.28 -10.76 C:10001 16.06 -12.88 C:4001 18.51 -12.88 C:9001 18.51 -11.47 C:8001 16.06 -11.47 C:102 21.37 -15.09 C:101 19.99 -14.94 1 16 1 2 16 1 3 28 1 4 29 1 5 29 1 6 23 2 7 17 1 8 18 1 9 19 1 10 13 1 10 16 2 11 18 2 11 20 1 12 17 1 12 24 2 13 21 1 14 20 1 14 28 1 15 24 1 15 25 1 17 19 2 18 26 1 19 21 1 20 22 2 21 27 2 22 25 1 22 29 1 23 26 1 23 27 1 24 27 1 25 26 2 28 29 1', '29 32 C 14.85 -6.49 C 12.47 -6.49 C 22.06 -16.32 C 18.58 -14.94 C 19.99 -16.32 O 17.28 -9.33 O 12.47 -13.63 O 19.71 -9.33 O 12.47 -10.76 C 13.66 -8.61 C 20.92 -11.47 C 14.85 -13.55 C 14.85 -9.33 O 21.95 -13.82 O 17.28 -13.55 C 13.66 -7.21 C 13.66 -12.88 C 19.71 -10.76 C 13.66 -11.47 C 20.92 -12.88 C 14.85 -10.76 C 19.71 -13.55 C 17.28 -10.76 C 16.06 -12.88 C 18.51 -12.88 C 18.51 -11.47 C 16.06 -11.47 C 21.37 -15.09 C 19.99 -14.94 1 16 1 2 16 1 3 28 1 4 29 1 5 29 1 6 23 2 7 17 1 8 18 1 9 19 1 10 13 1 10 16 2 11 18 2 11 20 1 12 17 1 12 24 2 13 21 1 14 20 1 14 28 1 15 24 1 15 25 1 17 19 2 18 26 1 19 21 1 20 22 2 21 27 2 22 25 1 22 29 1 23 26 1 23 27 1 24 27 1 25 26 2 28 29 1', '29 32 C:18 14.85 -6.49 C:26 12.47 -6.49 C:15 22.06 -16.32 C:21 18.58 -14.94 C:26 19.99 -16.32 O 17.28 -9.33 O 12.47 -13.63 O 19.71 -9.33 O 12.47 -10.76 C:125 13.66 -8.61 C:93 20.92 -11.47 C:101 14.85 -13.55 C:26 14.85 -9.33 O 21.95 -13.82 O 17.28 -13.55 C:130 13.66 -7.21 C:154 13.66 -12.88 C:165 19.71 -10.76 C:144 13.66 -11.47 C:165 20.92 -12.88 C:130 14.85 -10.76 C:112 19.71 -13.55 C:182 17.28 -10.76 C:153 16.06 -12.88 C:159 18.51 -12.88 C:104 18.51 -11.47 C:109 16.06 -11.47 C:91 21.37 -15.09 C:44 19.99 -14.94 1 16 1 2 16 1 3 28 1 4 29 1 5 29 1 6 23 2 7 17 1 8 18 1 9 19 1 10 13 1 10 16 2 11 18 2 11 20 1 12 17 1 12 24 2 13 21 1 14 20 1 14 28 1 15 24 1 15 25 1 17 19 2 18 26 1 19 21 1 20 22 2 21 27 2 22 25 1 22 29 1 23 26 1 23 27 1 24 27 1 25 26 2 28 29 1', 'C23H24O6', 396.242, 'A', 'np07_1207_1', 3505, '', '', '1', 47, NULL, NULL),
(13640, 'Cudratricusxanthone K', '', 'Aromatics', 'Xanthones', '', '[CH3:3001]O[c:3]3[c:2]([CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104])[c:1](O)[c:9001]2[c:9](=O)[c:8001]1[cH:8][c:7](O)[c:6](O)[cH:5][c:10001]1o[c:4001]2[c:4]3[CH2:201][CH:202]=[C:203]([CH3:205])[CH3:204]', 'COc3c(CC=C(C)C)c(O)c2c(=O)c1cc(O)c(O)cc1oc2c3CC=C(C)C', '[CH3:61]O[c:163]3[c:116]([CH2:22][CH:123]=[C:131]([CH3:25])[CH3:17])[c:159](O)[c:105]2[c:181](=O)[c:113]1[cH:108][c:143](O)[c:154](O)[cH:103][c:152]1o[c:153]2[c:113]3[CH2:22][CH:123]=[C:131]([CH3:25])[CH3:17]', '30 32 C:3001 20.25 -12.87 C:105 23.91 -9.34 C:104 22.68 -7.20 C:205 15.42 -15.61 C:204 17.84 -15.61 O 15.42 -7.20 O 10.62 -11.49 O 10.62 -8.63 O 17.84 -7.20 C:102 21.47 -9.34 C:202 16.63 -13.51 C:5 12.99 -11.41 C:8 12.99 -8.63 C:101 20.25 -8.63 C:201 17.84 -12.81 O 20.25 -11.49 O 15.42 -11.41 C:103 22.68 -8.63 C:203 16.63 -14.91 C:6 11.81 -10.74 C:7 11.81 -9.34 C:1 17.84 -8.63 C:2 19.06 -9.34 C:4 17.84 -11.41 C:3 19.06 -10.74 C:9 15.42 -8.63 C:10001 14.20 -10.74 C:8001 14.20 -9.34 C:4001 16.63 -10.74 C:9001 16.63 -9.34 1 16 1 2 18 1 3 18 1 4 19 1 5 19 1 6 26 2 7 20 1 8 21 1 9 22 1 10 14 1 10 18 2 11 15 1 11 19 2 12 20 1 12 27 2 13 21 1 13 28 2 14 23 1 15 24 1 16 25 1 17 27 1 17 29 1 20 21 2 22 23 2 22 30 1 23 25 1 24 25 2 24 29 1 26 28 1 26 30 1 27 28 1 29 30 2', '30 32 C 20.25 -12.87 C 23.91 -9.34 C 22.68 -7.20 C 15.42 -15.61 C 17.84 -15.61 O 15.42 -7.20 O 10.62 -11.49 O 10.62 -8.63 O 17.84 -7.20 C 21.47 -9.34 C 16.63 -13.51 C 12.99 -11.41 C 12.99 -8.63 C 20.25 -8.63 C 17.84 -12.81 O 20.25 -11.49 O 15.42 -11.41 C 22.68 -8.63 C 16.63 -14.91 C 11.81 -10.74 C 11.81 -9.34 C 17.84 -8.63 C 19.06 -9.34 C 17.84 -11.41 C 19.06 -10.74 C 15.42 -8.63 C 14.20 -10.74 C 14.20 -9.34 C 16.63 -10.74 C 16.63 -9.34 1 16 1 2 18 1 3 18 1 4 19 1 5 19 1 6 26 2 7 20 1 8 21 1 9 22 1 10 14 1 10 18 2 11 15 1 11 19 2 12 20 1 12 27 2 13 21 1 13 28 2 14 23 1 15 24 1 16 25 1 17 27 1 17 29 1 20 21 2 22 23 2 22 30 1 23 25 1 24 25 2 24 29 1 26 28 1 26 30 1 27 28 1 29 30 2', '30 32 C:61 20.25 -12.87 C:25 23.91 -9.34 C:17 22.68 -7.20 C:25 15.42 -15.61 C:17 17.84 -15.61 O 15.42 -7.20 O 10.62 -11.49 O 10.62 -8.63 O 17.84 -7.20 C:123 21.47 -9.34 C:123 16.63 -13.51 C:103 12.99 -11.41 C:108 12.99 -8.63 C:22 20.25 -8.63 C:22 17.84 -12.81 O 20.25 -11.49 O 15.42 -11.41 C:131 22.68 -8.63 C:131 16.63 -14.91 C:154 11.81 -10.74 C:143 11.81 -9.34 C:159 17.84 -8.63 C:116 19.06 -9.34 C:113 17.84 -11.41 C:163 19.06 -10.74 C:181 15.42 -8.63 C:152 14.20 -10.74 C:113 14.20 -9.34 C:153 16.63 -10.74 C:105 16.63 -9.34 1 16 1 2 18 1 3 18 1 4 19 1 5 19 1 6 26 2 7 20 1 8 21 1 9 22 1 10 14 1 10 18 2 11 15 1 11 19 2 12 20 1 12 27 2 13 21 1 13 28 2 14 23 1 15 24 1 16 25 1 17 27 1 17 29 1 20 21 2 22 23 2 22 30 1 23 25 1 24 25 2 24 29 1 26 28 1 26 30 1 27 28 1 29 30 2', 'C24H26O6', 410.253, 'A', 'np07_1207_2', 3505, '', '', '1', 47, 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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(13672, '', '5-Hydroxy-1-methoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:1001]O[c:1]2[cH:2][cH:3][cH:4][c:4001]3o[c:10001]1[c:5](O)[cH:6][cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]23', 'COc2cccc3oc1c(O)cccc1c(=O)c23', '[CH3:56]O[c:160]2[cH:110][cH:135][cH:106][c:157]3o[c:144]1[c:146](O)[cH:119][cH:124][cH:115][c:124]1[c:175](=O)[c:112]23', '18 20 C:1001 20.88 -8.28 O 17.23 -8.97 O 14.76 -14.57 C:7 13.60 -11.08 C:3 20.88 -12.49 C:6 13.60 -12.49 C:2 20.88 -11.08 C:4 19.67 -13.17 C:8 14.76 -10.38 O 19.67 -8.97 O 17.23 -13.17 C:5 14.76 -13.17 C:1 19.67 -10.38 C:9 17.23 -10.38 C:4001 18.46 -12.49 C:8001 16.01 -11.08 C:10001 16.01 -12.49 C:9001 18.46 -11.08 1 10 1 2 14 2 3 12 1 4 6 1 4 9 2 5 7 1 5 8 2 6 12 2 7 13 2 8 15 1 9 16 1 10 13 1 11 15 1 11 17 1 12 17 1 13 18 1 14 16 1 14 18 1 15 18 2 16 17 2', '18 20 C 20.88 -8.28 O 17.23 -8.97 O 14.76 -14.57 C 13.60 -11.08 C 20.88 -12.49 C 13.60 -12.49 C 20.88 -11.08 C 19.67 -13.17 C 14.76 -10.38 O 19.67 -8.97 O 17.23 -13.17 C 14.76 -13.17 C 19.67 -10.38 C 17.23 -10.38 C 18.46 -12.49 C 16.01 -11.08 C 16.01 -12.49 C 18.46 -11.08 1 10 1 2 14 2 3 12 1 4 6 1 4 9 2 5 7 1 5 8 2 6 12 2 7 13 2 8 15 1 9 16 1 10 13 1 11 15 1 11 17 1 12 17 1 13 18 1 14 16 1 14 18 1 15 18 2 16 17 2', '18 20 C:56 20.88 -8.28 O 17.23 -8.97 O 14.76 -14.57 C:124 13.60 -11.08 C:135 20.88 -12.49 C:119 13.60 -12.49 C:110 20.88 -11.08 C:106 19.67 -13.17 C:115 14.76 -10.38 O 19.67 -8.97 O 17.23 -13.17 C:146 14.76 -13.17 C:160 19.67 -10.38 C:175 17.23 -10.38 C:157 18.46 -12.49 C:124 16.01 -11.08 C:144 16.01 -12.49 C:112 18.46 -11.08 1 10 1 2 14 2 3 12 1 4 6 1 4 9 2 5 7 1 5 8 2 6 12 2 7 13 2 8 15 1 9 16 1 10 13 1 11 15 1 11 17 1 12 17 1 13 18 1 14 16 1 14 18 1 15 18 2 16 17 2', 'C14H10O4', 242.147, 'D', 'ph36_1381_2', 3512, '', '', '1', 47, 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
(13673, '6-Deoxyjacareubin', '', 'Aromatics', 'Xanthones', '', '[CH3:104][C:103]4([CH3:105])[CH:102]=[CH:101][c:2]3[c:3]([cH:4][c:4001]2o[c:10001]1[c:5](O)[cH:6][cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O)O4', 'CC4(C)C=Cc3c(cc2oc1c(O)cccc1c(=O)c2c3O)O4', '[CH3:28][C:78]4([CH3:28])[CH:114]=[CH:128][c:104]3[c:157]([cH:95][c:156]2o[c:145]1[c:146](O)[cH:121][cH:124][cH:114][c:121]1[c:181](=O)[c:103]2[c:160]3O)O4', '23 26 C:104 22.78 -11.76 C:105 21.80 -13.50 O 15.39 -8.66 O 12.94 -14.23 O 17.82 -8.61 C:101 20.23 -10.01 C:102 21.43 -10.73 C:7 11.76 -10.73 C:6 11.76 -12.14 C:8 12.94 -10.01 C:4 17.82 -12.83 O 20.23 -12.83 O 15.39 -12.83 C:5 12.94 -12.83 C:2 19.01 -10.73 C:3 19.01 -12.14 C:1 17.82 -10.01 C:9 15.39 -10.01 C:4001 16.61 -12.14 C:8001 14.18 -10.73 C:10001 14.18 -12.14 C:9001 16.61 -10.73 C:103 21.43 -12.14 1 23 1 2 23 1 3 18 2 4 14 1 5 17 1 6 7 2 6 15 1 7 23 1 8 9 1 8 10 2 9 14 2 10 20 1 11 16 2 11 19 1 12 16 1 12 23 1 13 19 1 13 21 1 14 21 1 15 16 1 15 17 2 17 22 1 18 20 1 18 22 1 19 22 2 20 21 2', '23 26 C 22.78 -11.76 C 21.80 -13.50 O 15.39 -8.66 O 12.94 -14.23 O 17.82 -8.61 C 20.23 -10.01 C 21.43 -10.73 C 11.76 -10.73 C 11.76 -12.14 C 12.94 -10.01 C 17.82 -12.83 O 20.23 -12.83 O 15.39 -12.83 C 12.94 -12.83 C 19.01 -10.73 C 19.01 -12.14 C 17.82 -10.01 C 15.39 -10.01 C 16.61 -12.14 C 14.18 -10.73 C 14.18 -12.14 C 16.61 -10.73 C 21.43 -12.14 1 23 1 2 23 1 3 18 2 4 14 1 5 17 1 6 7 2 6 15 1 7 23 1 8 9 1 8 10 2 9 14 2 10 20 1 11 16 2 11 19 1 12 16 1 12 23 1 13 19 1 13 21 1 14 21 1 15 16 1 15 17 2 17 22 1 18 20 1 18 22 1 19 22 2 20 21 2', '23 26 C:28 22.78 -11.76 C:28 21.80 -13.50 O 15.39 -8.66 O 12.94 -14.23 O 17.82 -8.61 C:128 20.23 -10.01 C:114 21.43 -10.73 C:124 11.76 -10.73 C:121 11.76 -12.14 C:114 12.94 -10.01 C:95 17.82 -12.83 O 20.23 -12.83 O 15.39 -12.83 C:146 12.94 -12.83 C:104 19.01 -10.73 C:157 19.01 -12.14 C:160 17.82 -10.01 C:181 15.39 -10.01 C:156 16.61 -12.14 C:121 14.18 -10.73 C:145 14.18 -12.14 C:103 16.61 -10.73 C:78 21.43 -12.14 1 23 1 2 23 1 3 18 2 4 14 1 5 17 1 6 7 2 6 15 1 7 23 1 8 9 1 8 10 2 9 14 2 10 20 1 11 16 2 11 19 1 12 16 1 12 23 1 13 19 1 13 21 1 14 21 1 15 16 1 15 17 2 17 22 1 18 20 1 18 22 1 19 22 2 20 21 2', 'C18H14O5', 310.19, 'D', 'ph36_1381_3', 3512, '', '', '1', 47, NULL, NULL),
(13674, '', '1,5-Dihydrosyxanthone', 'Aromatics', 'Xanthones', '', 'O=[c:9]2[c:8001]1[cH:8][cH:7][cH:6][c:5](O)[c:10001]1o[c:4001]3[cH:4][cH:3][cH:2][c:1](O)[c:9001]23', 'O=c2c1cccc(O)c1oc3cccc(O)c23', 'O=[c:182]2[c:121]1[cH:114][cH:124][cH:121][c:147](O)[c:145]1o[c:156]3[cH:107][cH:137][cH:109][c:161](O)[c:108]23', '17 19 O 17.23 -8.65 O 14.76 -14.24 O 19.67 -8.65 C:3 20.88 -12.17 C:7 13.60 -10.76 C:6 13.60 -12.17 C:2 20.88 -10.76 C:4 19.67 -12.84 C:8 14.76 -10.06 O 17.23 -12.84 C:5 14.76 -12.84 C:1 19.67 -10.06 C:9 17.23 -10.06 C:4001 18.46 -12.17 C:8001 16.01 -10.76 C:10001 16.01 -12.17 C:9001 18.46 -10.76 1 13 2 2 11 1 3 12 1 4 7 1 4 8 2 5 6 1 5 9 2 6 11 2 7 12 2 8 14 1 9 15 1 10 14 1 10 16 1 11 16 1 12 17 1 13 15 1 13 17 1 14 17 2 15 16 2', '17 19 O 17.23 -8.65 O 14.76 -14.24 O 19.67 -8.65 C 20.88 -12.17 C 13.60 -10.76 C 13.60 -12.17 C 20.88 -10.76 C 19.67 -12.84 C 14.76 -10.06 O 17.23 -12.84 C 14.76 -12.84 C 19.67 -10.06 C 17.23 -10.06 C 18.46 -12.17 C 16.01 -10.76 C 16.01 -12.17 C 18.46 -10.76 1 13 2 2 11 1 3 12 1 4 7 1 4 8 2 5 6 1 5 9 2 6 11 2 7 12 2 8 14 1 9 15 1 10 14 1 10 16 1 11 16 1 12 17 1 13 15 1 13 17 1 14 17 2 15 16 2', '17 19 O 17.23 -8.65 O 14.76 -14.24 O 19.67 -8.65 C:137 20.88 -12.17 C:124 13.60 -10.76 C:121 13.60 -12.17 C:109 20.88 -10.76 C:107 19.67 -12.84 C:114 14.76 -10.06 O 17.23 -12.84 C:147 14.76 -12.84 C:161 19.67 -10.06 C:182 17.23 -10.06 C:156 18.46 -12.17 C:121 16.01 -10.76 C:145 16.01 -12.17 C:108 18.46 -10.76 1 13 2 2 11 1 3 12 1 4 7 1 4 8 2 5 6 1 5 9 2 6 11 2 7 12 2 8 14 1 9 15 1 10 14 1 10 16 1 11 16 1 12 17 1 13 15 1 13 17 1 14 17 2 15 16 2', 'C13H8O4', 228.137, 'D', 'ph36_1381_4', 3512, '', '', '1', 47, NULL, NULL),
(13675, '', '1,3,5- Trihydroxy-2-methoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:2001]O[c:2]3[c:3](O)[cH:4][c:4001]2o[c:10001]1[c:5](O)[cH:6][cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'COc3c(O)cc2oc1c(O)cccc1c(=O)c2c3O', '[CH3:60]O[c:131]3[c:159](O)[cH:94][c:152]2o[c:145]1[c:146](O)[cH:120][cH:124][cH:114][c:120]1[c:180](=O)[c:102]2[c:154]3O', '20 22 C:2001 22.09 -10.75 O 16.02 -8.65 O 20.88 -12.85 O 13.54 -14.25 O 18.46 -8.65 C:7 12.38 -10.75 C:6 12.38 -12.17 C:8 13.54 -10.06 C:4 18.46 -12.85 O 20.88 -10.06 O 16.02 -12.85 C:3 19.66 -12.17 C:5 13.54 -12.85 C:1 18.46 -10.06 C:2 19.66 -10.75 C:9 16.02 -10.06 C:4001 17.25 -12.17 C:8001 14.80 -10.75 C:10001 14.80 -12.17 C:9001 17.25 -10.75 1 10 1 2 16 2 3 12 1 4 13 1 5 14 1 6 7 1 6 8 2 7 13 2 8 18 1 9 12 2 9 17 1 10 15 1 11 17 1 11 19 1 12 15 1 13 19 1 14 15 2 14 20 1 16 18 1 16 20 1 17 20 2 18 19 2', '20 22 C 22.09 -10.75 O 16.02 -8.65 O 20.88 -12.85 O 13.54 -14.25 O 18.46 -8.65 C 12.38 -10.75 C 12.38 -12.17 C 13.54 -10.06 C 18.46 -12.85 O 20.88 -10.06 O 16.02 -12.85 C 19.66 -12.17 C 13.54 -12.85 C 18.46 -10.06 C 19.66 -10.75 C 16.02 -10.06 C 17.25 -12.17 C 14.80 -10.75 C 14.80 -12.17 C 17.25 -10.75 1 10 1 2 16 2 3 12 1 4 13 1 5 14 1 6 7 1 6 8 2 7 13 2 8 18 1 9 12 2 9 17 1 10 15 1 11 17 1 11 19 1 12 15 1 13 19 1 14 15 2 14 20 1 16 18 1 16 20 1 17 20 2 18 19 2', '20 22 C:60 22.09 -10.75 O 16.02 -8.65 O 20.88 -12.85 O 13.54 -14.25 O 18.46 -8.65 C:124 12.38 -10.75 C:120 12.38 -12.17 C:114 13.54 -10.06 C:94 18.46 -12.85 O 20.88 -10.06 O 16.02 -12.85 C:159 19.66 -12.17 C:146 13.54 -12.85 C:154 18.46 -10.06 C:131 19.66 -10.75 C:180 16.02 -10.06 C:152 17.25 -12.17 C:120 14.80 -10.75 C:145 14.80 -12.17 C:102 17.25 -10.75 1 10 1 2 16 2 3 12 1 4 13 1 5 14 1 6 7 1 6 8 2 7 13 2 8 18 1 9 12 2 9 17 1 10 15 1 11 17 1 11 19 1 12 15 1 13 19 1 14 15 2 14 20 1 16 18 1 16 20 1 17 20 2 18 19 2', 'C14H10O6', 274.146, 'D', 'ph37_875_1', 3513, '', '', '1', 47, NULL, NULL),
(13676, '', '1,3,6-Trihydroxy-2,5-dimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:2001]O[c:2]3[c:3](O)[cH:4][c:4001]2o[c:10001]1[c:5](O[CH3:5001])[c:6](O)[cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]2[c:1]3O', 'COc3c(O)cc2oc1c(OC)c(O)ccc1c(=O)c2c3O', '[CH3:60]O[c:131]3[c:158](O)[cH:94][c:152]2o[c:150]1[c:134](O[CH3:61])[c:157](O)[cH:120][cH:114][c:113]1[c:179](=O)[c:101]2[c:153]3O', '22 24 C:2001 22.69 -10.36 C:5001 12.93 -14.55 O 16.62 -8.25 O 11.80 -12.53 O 21.49 -12.45 O 19.06 -8.25 C:7 12.99 -10.36 C:8 14.14 -9.66 C:4 19.06 -12.45 O 21.49 -9.66 O 14.14 -13.85 O 16.62 -12.45 C:6 12.99 -11.78 C:3 20.27 -11.78 C:1 19.06 -9.66 C:2 20.27 -10.36 C:5 14.14 -12.45 C:9 16.62 -9.66 C:4001 17.85 -11.78 C:8001 15.40 -10.36 C:10001 15.40 -11.78 C:9001 17.85 -10.36 1 10 1 2 11 1 3 18 2 4 13 1 5 14 1 6 15 1 7 8 2 7 13 1 8 20 1 9 14 2 9 19 1 10 16 1 11 17 1 12 19 1 12 21 1 13 17 2 14 16 1 15 16 2 15 22 1 17 21 1 18 20 1 18 22 1 19 22 2 20 21 2', '22 24 C 22.69 -10.36 C 12.93 -14.55 O 16.62 -8.25 O 11.80 -12.53 O 21.49 -12.45 O 19.06 -8.25 C 12.99 -10.36 C 14.14 -9.66 C 19.06 -12.45 O 21.49 -9.66 O 14.14 -13.85 O 16.62 -12.45 C 12.99 -11.78 C 20.27 -11.78 C 19.06 -9.66 C 20.27 -10.36 C 14.14 -12.45 C 16.62 -9.66 C 17.85 -11.78 C 15.40 -10.36 C 15.40 -11.78 C 17.85 -10.36 1 10 1 2 11 1 3 18 2 4 13 1 5 14 1 6 15 1 7 8 2 7 13 1 8 20 1 9 14 2 9 19 1 10 16 1 11 17 1 12 19 1 12 21 1 13 17 2 14 16 1 15 16 2 15 22 1 17 21 1 18 20 1 18 22 1 19 22 2 20 21 2', '22 24 C:60 22.69 -10.36 C:61 12.93 -14.55 O 16.62 -8.25 O 11.80 -12.53 O 21.49 -12.45 O 19.06 -8.25 C:120 12.99 -10.36 C:114 14.14 -9.66 C:94 19.06 -12.45 O 21.49 -9.66 O 14.14 -13.85 O 16.62 -12.45 C:157 12.99 -11.78 C:158 20.27 -11.78 C:153 19.06 -9.66 C:131 20.27 -10.36 C:134 14.14 -12.45 C:179 16.62 -9.66 C:152 17.85 -11.78 C:113 15.40 -10.36 C:150 15.40 -11.78 C:101 17.85 -10.36 1 10 1 2 11 1 3 18 2 4 13 1 5 14 1 6 15 1 7 8 2 7 13 1 8 20 1 9 14 2 9 19 1 10 16 1 11 17 1 12 19 1 12 21 1 13 17 2 14 16 1 15 16 2 15 22 1 17 21 1 18 20 1 18 22 1 19 22 2 20 21 2', 'C15H12O7', 304.156, 'D', 'ph37_875_2', 3513, '', '', '1', 47, NULL, NULL),
(13677, '', '1,3,6-Trihydroxy-2,5-dimethoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:5001]O[c:5]2[cH:6][cH:7][cH:8][c:8001]3[c:9](=O)[c:9001]1[c:1](O)[c:2](O[CH3:2001])[c:3](O)[cH:4][c:4001]1o[c:10001]23', 'COc2cccc3c(=O)c1c(O)c(OC)c(O)cc1oc23', '[CH3:57]O[c:146]2[cH:121][cH:124][cH:114][c:120]3[c:181](=O)[c:114]1[c:153](O)[c:146](O[CH3:60])[c:160](O)[cH:91][c:153]1o[c:145]23', '21 23 C:5001 12.36 -14.55 C:2001 22.11 -10.36 O 16.05 -8.25 O 20.92 -12.45 O 18.50 -8.25 C:7 12.42 -10.36 C:6 12.42 -11.78 C:8 13.57 -9.66 C:4 18.50 -12.45 O 13.57 -13.85 O 20.92 -9.66 O 16.05 -12.45 C:3 19.71 -11.78 C:5 13.57 -12.45 C:1 18.50 -9.66 C:2 19.71 -10.36 C:9 16.05 -9.66 C:4001 17.29 -11.78 C:8001 14.83 -10.36 C:10001 14.83 -11.78 C:9001 17.29 -10.36 1 10 1 2 11 1 3 17 2 4 13 1 5 15 1 6 7 1 6 8 2 7 14 2 8 19 1 9 13 2 9 18 1 10 14 1 11 16 1 12 18 1 12 20 1 13 16 1 14 20 1 15 16 2 15 21 1 17 19 1 17 21 1 18 21 2 19 20 2', '21 23 C 12.36 -14.55 C 22.11 -10.36 O 16.05 -8.25 O 20.92 -12.45 O 18.50 -8.25 C 12.42 -10.36 C 12.42 -11.78 C 13.57 -9.66 C 18.50 -12.45 O 13.57 -13.85 O 20.92 -9.66 O 16.05 -12.45 C 19.71 -11.78 C 13.57 -12.45 C 18.50 -9.66 C 19.71 -10.36 C 16.05 -9.66 C 17.29 -11.78 C 14.83 -10.36 C 14.83 -11.78 C 17.29 -10.36 1 10 1 2 11 1 3 17 2 4 13 1 5 15 1 6 7 1 6 8 2 7 14 2 8 19 1 9 13 2 9 18 1 10 14 1 11 16 1 12 18 1 12 20 1 13 16 1 14 20 1 15 16 2 15 21 1 17 19 1 17 21 1 18 21 2 19 20 2', '21 23 C:57 12.36 -14.55 C:60 22.11 -10.36 O 16.05 -8.25 O 20.92 -12.45 O 18.50 -8.25 C:124 12.42 -10.36 C:121 12.42 -11.78 C:114 13.57 -9.66 C:91 18.50 -12.45 O 13.57 -13.85 O 20.92 -9.66 O 16.05 -12.45 C:160 19.71 -11.78 C:146 13.57 -12.45 C:153 18.50 -9.66 C:146 19.71 -10.36 C:181 16.05 -9.66 C:153 17.29 -11.78 C:120 14.83 -10.36 C:145 14.83 -11.78 C:114 17.29 -10.36 1 10 1 2 11 1 3 17 2 4 13 1 5 15 1 6 7 1 6 8 2 7 14 2 8 19 1 9 13 2 9 18 1 10 14 1 11 16 1 12 18 1 12 20 1 13 16 1 14 20 1 15 16 2 15 21 1 17 19 1 17 21 1 18 21 2 19 20 2', 'C15H12O6', 288.157, 'D', 'ph37_875_7', 3513, '', '', '1', 47, NULL, NULL),
(13678, '', '5-Hydroxy-2-methoxyxanthone', 'Aromatics', 'Xanthones', '', '[CH3:2001]O[c:2]3[cH:3][cH:4][c:4001]2o[c:10001]1[c:5](O)[cH:6][cH:7][cH:8][c:8001]1[c:9](=O)[c:9001]2[cH:1]3', 'COc3ccc2oc1c(O)cccc1c(=O)c2c3', '[CH3:56]O[c:156]3[cH:124][cH:120][c:150]2o[c:145]1[c:147](O)[cH:115][cH:124][cH:120][c:121]1[c:176](=O)[c:122]2[cH:106]3', '18 20 C:2001 22.07 -10.75 O 16.00 -8.64 O 13.53 -14.24 C:7 12.37 -10.75 C:6 12.37 -12.16 C:3 19.65 -12.16 C:8 13.53 -10.05 C:4 18.44 -12.84 C:1 18.44 -10.05 O 20.85 -10.05 O 16.00 -12.84 C:2 19.65 -10.75 C:5 13.53 -12.84 C:9 16.00 -10.05 C:4001 17.23 -12.16 C:8001 14.78 -10.75 C:9001 17.23 -10.75 C:10001 14.78 -12.16 1 10 1 2 14 2 3 13 1 4 5 1 4 7 2 5 13 2 6 8 2 6 12 1 7 16 1 8 15 1 9 12 2 9 17 1 10 12 1 11 15 1 11 18 1 13 18 1 14 16 1 14 17 1 15 17 2 16 18 2', '18 20 C 22.07 -10.75 O 16.00 -8.64 O 13.53 -14.24 C 12.37 -10.75 C 12.37 -12.16 C 19.65 -12.16 C 13.53 -10.05 C 18.44 -12.84 C 18.44 -10.05 O 20.85 -10.05 O 16.00 -12.84 C 19.65 -10.75 C 13.53 -12.84 C 16.00 -10.05 C 17.23 -12.16 C 14.78 -10.75 C 17.23 -10.75 C 14.78 -12.16 1 10 1 2 14 2 3 13 1 4 5 1 4 7 2 5 13 2 6 8 2 6 12 1 7 16 1 8 15 1 9 12 2 9 17 1 10 12 1 11 15 1 11 18 1 13 18 1 14 16 1 14 17 1 15 17 2 16 18 2', '18 20 C:56 22.07 -10.75 O 16.00 -8.64 O 13.53 -14.24 C:124 12.37 -10.75 C:115 12.37 -12.16 C:124 19.65 -12.16 C:120 13.53 -10.05 C:120 18.44 -12.84 C:106 18.44 -10.05 O 20.85 -10.05 O 16.00 -12.84 C:156 19.65 -10.75 C:147 13.53 -12.84 C:176 16.00 -10.05 C:150 17.23 -12.16 C:121 14.78 -10.75 C:122 17.23 -10.75 C:145 14.78 -12.16 1 10 1 2 14 2 3 13 1 4 5 1 4 7 2 5 13 2 6 8 2 6 12 1 7 16 1 8 15 1 9 12 2 9 17 1 10 12 1 11 15 1 11 18 1 13 18 1 14 16 1 14 17 1 15 17 2 16 18 2', 'C14H10O4', 242.147, 'D', 'ph43_513_2', 3514, '', '', '1', 47, NULL, NULL),
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(13683, 'Calycinoxanthon D', '1,3,5,6-Tetrahydroxy-4-1avandulylxanthone', 'Aromatics', 'Xanthones', '', '[CH2:109]=[C:108]([CH3:110])[CH:102]([CH2:103][CH:104]=[C:105]([CH3:107])[CH3:106])[CH2:101][c:4]2[c:3](O)[cH:2][c:1](O)[c:9001]3[c:9](=O)[c:8001]1[cH:8][cH:7][c:6](O)[c:5](O)[c:10001]1o[c:4001]23', 'C=C(C)C(CC=C(C)C)Cc2c(O)cc(O)c3c(=O)c1ccc(O)c(O)c1oc23', '[CH2:112]=[C:149]([CH3:19])[CH:48]([CH2:32][CH:124]=[C:132]([CH3:26])[CH3:18])[CH2:28][c:115]2[c:162](O)[cH:98][c:164](O)[c:103]3[c:182](=O)[c:107]1[cH:117][cH:113][c:152](O)[c:134](O)[c:147]1o[c:156]23', '29 31 C:109 21.52 -10.40 C:107 22.74 -16.69 C:106 20.31 -16.69 C:110 22.74 -12.48 O 16.63 -6.15 O 11.79 -10.40 O 20.31 -11.10 O 19.08 -6.15 O 14.15 -11.58 C:104 21.52 -14.61 C:7 12.99 -8.27 C:8 14.15 -7.57 C:2 20.31 -8.27 C:103 20.31 -13.90 C:101 19.08 -11.79 O 16.63 -10.40 C:105 21.52 -16.00 C:108 21.52 -11.79 C:6 12.99 -9.70 C:3 20.31 -9.70 C:1 19.08 -7.57 C:5 14.15 -10.40 C:4 19.08 -10.40 C:9 16.63 -7.57 C:8001 15.41 -8.27 C:10001 15.41 -9.70 C:4001 17.86 -9.70 C:9001 17.86 -8.27 C:102 20.31 -12.48 1 18 2 2 17 1 3 17 1 4 18 1 5 24 2 6 19 1 7 20 1 8 21 1 9 22 1 10 14 1 10 17 2 11 12 2 11 19 1 12 25 1 13 20 1 13 21 2 14 29 1 15 23 1 15 29 1 16 26 1 16 27 1 18 29 1 19 22 2 20 23 2 21 28 1 22 26 1 23 27 1 24 25 1 24 28 1 25 26 2 27 28 2', '29 31 C 21.52 -10.40 C 22.74 -16.69 C 20.31 -16.69 C 22.74 -12.48 O 16.63 -6.15 O 11.79 -10.40 O 20.31 -11.10 O 19.08 -6.15 O 14.15 -11.58 C 21.52 -14.61 C 12.99 -8.27 C 14.15 -7.57 C 20.31 -8.27 C 20.31 -13.90 C 19.08 -11.79 O 16.63 -10.40 C 21.52 -16.00 C 21.52 -11.79 C 12.99 -9.70 C 20.31 -9.70 C 19.08 -7.57 C 14.15 -10.40 C 19.08 -10.40 C 16.63 -7.57 C 15.41 -8.27 C 15.41 -9.70 C 17.86 -9.70 C 17.86 -8.27 C 20.31 -12.48 1 18 2 2 17 1 3 17 1 4 18 1 5 24 2 6 19 1 7 20 1 8 21 1 9 22 1 10 14 1 10 17 2 11 12 2 11 19 1 12 25 1 13 20 1 13 21 2 14 29 1 15 23 1 15 29 1 16 26 1 16 27 1 18 29 1 19 22 2 20 23 2 21 28 1 22 26 1 23 27 1 24 25 1 24 28 1 25 26 2 27 28 2', '29 31 C:112 21.52 -10.40 C:26 22.74 -16.69 C:18 20.31 -16.69 C:19 22.74 -12.48 O 16.63 -6.15 O 11.79 -10.40 O 20.31 -11.10 O 19.08 -6.15 O 14.15 -11.58 C:124 21.52 -14.61 C:113 12.99 -8.27 C:117 14.15 -7.57 C:98 20.31 -8.27 C:32 20.31 -13.90 C:28 19.08 -11.79 O 16.63 -10.40 C:132 21.52 -16.00 C:149 21.52 -11.79 C:152 12.99 -9.70 C:162 20.31 -9.70 C:164 19.08 -7.57 C:134 14.15 -10.40 C:115 19.08 -10.40 C:182 16.63 -7.57 C:107 15.41 -8.27 C:147 15.41 -9.70 C:156 17.86 -9.70 C:103 17.86 -8.27 C:48 20.31 -12.48 1 18 2 2 17 1 3 17 1 4 18 1 5 24 2 6 19 1 7 20 1 8 21 1 9 22 1 10 14 1 10 17 2 11 12 2 11 19 1 12 25 1 13 20 1 13 21 2 14 29 1 15 23 1 15 29 1 16 26 1 16 27 1 18 29 1 19 22 2 20 23 2 21 28 1 22 26 1 23 27 1 24 25 1 24 28 1 25 26 2 27 28 2', 'C23H24O6', 396.242, 'A', 'ph43_513_8', 3514, '', '', '1', 47, NULL, NULL),
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(13691, 'Tovophenone C', '', 'Aromatics', 'Benzophenones', '', '[CH2:209]=[C:208]([CH3:210])[CH2:207][CH2:206][CH:202]([CH2:201][c:3]3[c:2](O)[c:1]([C:107](=O)[c:101]1[cH:106][cH:105][cH:104][c:103](O)[cH:102]1)[c:6]2O[CH:302]([C:303]([CH3:304])([CH3:305])O)[CH2:301][c:5]2[c:4]3O[CH3:4001])[C:203](=[CH2:204])[CH3:205]', 'C=C(C)CCC(Cc3c(O)c(C(=O)c1cccc(O)c1)c2OC(C(C)(C)O)Cc2c3OC)C(=C)C', '[CH2:109]=[C:146]([CH3:22])[CH2:36][CH2:31][CH:47]([CH2:28][c:112]3[c:161](O)[c:102]([C:199](=O)[c:143]1[cH:124][cH:129][cH:118][c:156](O)[cH:115]1)[c:162]2O[CH:90]([C:72]([CH3:26])([CH3:24])O)[CH2:29][c:105]2[c:162]3O[CH3:59])[C:148](=[CH2:111])[CH3:18]', '35 37 C:209 9.95 -14.01 C:204 13.57 -11.81 C:4001 17.19 -16.67 C:210 11.16 -16.08 C:205 15.97 -11.81 C:304 23.88 -12.03 C:305 23.88 -14.45 O 17.19 -9.71 O 20.84 -6.22 O 17.19 -11.10 O 24.58 -13.23 C:105 22.03 -9.71 C:104 22.03 -8.34 C:106 20.84 -10.42 C:102 19.62 -8.34 C:207 12.35 -14.01 C:206 13.57 -14.69 C:201 15.97 -14.69 C:301 20.94 -14.36 O 18.41 -16.00 O 20.94 -12.09 C:208 11.16 -14.69 C:203 14.77 -12.53 C:107 18.41 -10.42 C:103 20.84 -7.61 C:101 19.62 -9.71 C:2 17.19 -12.53 C:3 17.19 -13.92 C:5 19.62 -13.92 C:4 18.41 -14.60 C:6 19.62 -12.53 C:1 18.41 -11.81 C:202 14.77 -13.92 C:302 21.77 -13.23 C:303 23.18 -13.23 1 22 2 2 23 2 3 20 1 4 22 1 5 23 1 6 35 1 7 35 1 8 24 2 9 25 1 10 27 1 11 35 1 12 13 2 12 14 1 13 25 1 14 26 2 15 25 2 15 26 1 16 17 1 16 22 1 17 33 1 18 28 1 18 33 1 19 29 1 19 34 1 20 30 1 21 31 1 21 34 1 23 33 1 24 26 1 24 32 1 27 28 2 27 32 1 28 30 1 29 30 2 29 31 1 31 32 2 34 35 1', '35 37 C 9.95 -14.01 C 13.57 -11.81 C 17.19 -16.67 C 11.16 -16.08 C 15.97 -11.81 C 23.88 -12.03 C 23.88 -14.45 O 17.19 -9.71 O 20.84 -6.22 O 17.19 -11.10 O 24.58 -13.23 C 22.03 -9.71 C 22.03 -8.34 C 20.84 -10.42 C 19.62 -8.34 C 12.35 -14.01 C 13.57 -14.69 C 15.97 -14.69 C 20.94 -14.36 O 18.41 -16.00 O 20.94 -12.09 C 11.16 -14.69 C 14.77 -12.53 C 18.41 -10.42 C 20.84 -7.61 C 19.62 -9.71 C 17.19 -12.53 C 17.19 -13.92 C 19.62 -13.92 C 18.41 -14.60 C 19.62 -12.53 C 18.41 -11.81 C 14.77 -13.92 C 21.77 -13.23 C 23.18 -13.23 1 22 2 2 23 2 3 20 1 4 22 1 5 23 1 6 35 1 7 35 1 8 24 2 9 25 1 10 27 1 11 35 1 12 13 2 12 14 1 13 25 1 14 26 2 15 25 2 15 26 1 16 17 1 16 22 1 17 33 1 18 28 1 18 33 1 19 29 1 19 34 1 20 30 1 21 31 1 21 34 1 23 33 1 24 26 1 24 32 1 27 28 2 27 32 1 28 30 1 29 30 2 29 31 1 31 32 2 34 35 1', '35 37 C:109 9.95 -14.01 C:111 13.57 -11.81 C:59 17.19 -16.67 C:22 11.16 -16.08 C:18 15.97 -11.81 C:26 23.88 -12.03 C:24 23.88 -14.45 O 17.19 -9.71 O 20.84 -6.22 O 17.19 -11.10 O 24.58 -13.23 C:129 22.03 -9.71 C:118 22.03 -8.34 C:124 20.84 -10.42 C:115 19.62 -8.34 C:36 12.35 -14.01 C:31 13.57 -14.69 C:28 15.97 -14.69 C:29 20.94 -14.36 O 18.41 -16.00 O 20.94 -12.09 C:146 11.16 -14.69 C:148 14.77 -12.53 C:199 18.41 -10.42 C:156 20.84 -7.61 C:143 19.62 -9.71 C:161 17.19 -12.53 C:112 17.19 -13.92 C:105 19.62 -13.92 C:162 18.41 -14.60 C:162 19.62 -12.53 C:102 18.41 -11.81 C:47 14.77 -13.92 C:90 21.77 -13.23 C:72 23.18 -13.23 1 22 2 2 23 2 3 20 1 4 22 1 5 23 1 6 35 1 7 35 1 8 24 2 9 25 1 10 27 1 11 35 1 12 13 2 12 14 1 13 25 1 14 26 2 15 25 2 15 26 1 16 17 1 16 22 1 17 33 1 18 28 1 18 33 1 19 29 1 19 34 1 20 30 1 21 31 1 21 34 1 23 33 1 24 26 1 24 32 1 27 28 2 27 32 1 28 30 1 29 30 2 29 31 1 31 32 2 34 35 1', 'C29H36O6', 480.307, 'C', 'ph52_669_5', 3517, '', '', '1', 47, 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
(13692, 'Trapezifolixanthone', '', 'Aromatics', 'Xanthones', '', '[CH3:205][C:203]([CH3:204])=[CH:202][CH2:201][c:4]3[c:3]1O[C:103]([CH3:105])([CH3:104])[CH:102]=[CH:101][c:2]1[c:1](O)[c:9001]4[c:9](=O)[c:8001]2[cH:8][cH:7][cH:6][c:5](O)[c:10001]2o[c:4001]34', 'CC(C)=CCc3c1OC(C)(C)C=Cc1c(O)c4c(=O)c2cccc(O)c2oc34', '[CH3:26][C:132]([CH3:18])=[CH:123][CH2:22][c:107]3[c:158]1O[C:78]([CH3:28])([CH3:28])[CH:127]=[CH:116][c:105]1[c:156](O)[c:103]4[c:181](=O)[c:121]2[cH:117][cH:124][cH:120][c:144](O)[c:144]2o[c:154]34', '28 31 C:205 15.35 -15.59 C:204 17.75 -15.59 C:105 21.79 -12.06 C:104 22.77 -10.31 O 15.35 -7.20 O 12.91 -12.79 O 17.75 -7.20 C:101 20.22 -8.56 C:102 21.42 -9.28 C:202 16.56 -13.48 C:7 11.73 -9.28 C:6 11.73 -10.69 C:8 12.91 -8.56 C:201 17.75 -12.79 O 20.22 -11.38 O 15.35 -11.38 C:203 16.56 -14.88 C:5 12.91 -11.38 C:1 17.75 -8.56 C:2 18.99 -9.28 C:4 17.75 -11.38 C:3 18.99 -10.69 C:9 15.35 -8.56 C:8001 14.15 -9.28 C:10001 14.15 -10.69 C:4001 16.56 -10.69 C:9001 16.56 -9.28 C:103 21.42 -10.69 1 17 1 2 17 1 3 28 1 4 28 1 5 23 2 6 18 1 7 19 1 8 9 2 8 20 1 9 28 1 10 14 1 10 17 2 11 12 1 11 13 2 12 18 2 13 24 1 14 21 1 15 22 1 15 28 1 16 25 1 16 26 1 18 25 1 19 20 2 19 27 1 20 22 1 21 22 2 21 26 1 23 24 1 23 27 1 24 25 2 26 27 2', '28 31 C 15.35 -15.59 C 17.75 -15.59 C 21.79 -12.06 C 22.77 -10.31 O 15.35 -7.20 O 12.91 -12.79 O 17.75 -7.20 C 20.22 -8.56 C 21.42 -9.28 C 16.56 -13.48 C 11.73 -9.28 C 11.73 -10.69 C 12.91 -8.56 C 17.75 -12.79 O 20.22 -11.38 O 15.35 -11.38 C 16.56 -14.88 C 12.91 -11.38 C 17.75 -8.56 C 18.99 -9.28 C 17.75 -11.38 C 18.99 -10.69 C 15.35 -8.56 C 14.15 -9.28 C 14.15 -10.69 C 16.56 -10.69 C 16.56 -9.28 C 21.42 -10.69 1 17 1 2 17 1 3 28 1 4 28 1 5 23 2 6 18 1 7 19 1 8 9 2 8 20 1 9 28 1 10 14 1 10 17 2 11 12 1 11 13 2 12 18 2 13 24 1 14 21 1 15 22 1 15 28 1 16 25 1 16 26 1 18 25 1 19 20 2 19 27 1 20 22 1 21 22 2 21 26 1 23 24 1 23 27 1 24 25 2 26 27 2', '28 31 C:26 15.35 -15.59 C:18 17.75 -15.59 C:28 21.79 -12.06 C:28 22.77 -10.31 O 15.35 -7.20 O 12.91 -12.79 O 17.75 -7.20 C:116 20.22 -8.56 C:127 21.42 -9.28 C:123 16.56 -13.48 C:124 11.73 -9.28 C:120 11.73 -10.69 C:117 12.91 -8.56 C:22 17.75 -12.79 O 20.22 -11.38 O 15.35 -11.38 C:132 16.56 -14.88 C:144 12.91 -11.38 C:156 17.75 -8.56 C:105 18.99 -9.28 C:107 17.75 -11.38 C:158 18.99 -10.69 C:181 15.35 -8.56 C:121 14.15 -9.28 C:144 14.15 -10.69 C:154 16.56 -10.69 C:103 16.56 -9.28 C:78 21.42 -10.69 1 17 1 2 17 1 3 28 1 4 28 1 5 23 2 6 18 1 7 19 1 8 9 2 8 20 1 9 28 1 10 14 1 10 17 2 11 12 1 11 13 2 12 18 2 13 24 1 14 21 1 15 22 1 15 28 1 16 25 1 16 26 1 18 25 1 19 20 2 19 27 1 20 22 1 21 22 2 21 26 1 23 24 1 23 27 1 24 25 2 26 27 2', 'C23H22O5', 378.243, 'C', 'ph52_669_1', 3517, '', '', '1', 47, NULL, NULL),
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(13694, 'Tovophenone A', '', 'Aromatics', 'Benzophenones', '', '[CH2:209]=[C:208]([CH3:210])[CH2:207][CH2:206][CH:202]([CH2:201][c:3]2[c:2](O)[c:1]([C:107](=O)[c:101]1[cH:106][cH:105][cH:104][c:103](O)[cH:102]1)[c:6](O)[c:5]([CH2:301][CH:302]=[C:303]([CH3:305])[CH3:304])[c:4]2O[CH3:4001])[C:203](=[CH2:204])[CH3:205]', 'C=C(C)CCC(Cc2c(O)c(C(=O)c1cccc(O)c1)c(O)c(CC=C(C)C)c2OC)C(=C)C', '[CH2:109]=[C:146]([CH3:22])[CH2:36][CH2:31][CH:47]([CH2:29][c:114]2[c:158](O)[c:107]([C:198](=O)[c:142]1[cH:120][cH:130][cH:120][c:156](O)[cH:115]1)[c:157](O)[c:114]([CH2:23][CH:122]=[C:133]([CH3:26])[CH3:18])[c:164]2O[CH3:61])[C:148](=[CH2:111])[CH3:19]', '34 35 C:209 10.59 -13.26 C:204 14.22 -11.05 C:4001 17.86 -15.94 C:305 22.69 -17.36 C:304 23.90 -15.26 C:210 11.81 -15.34 C:205 16.63 -11.05 O 17.86 -8.95 O 21.49 -5.46 O 21.49 -11.05 O 17.86 -10.34 C:302 21.49 -15.26 C:105 22.69 -8.95 C:104 22.69 -7.58 C:106 21.49 -9.66 C:102 20.28 -7.58 C:301 21.49 -13.94 C:207 13.00 -13.26 C:206 14.22 -13.94 C:201 16.63 -13.94 O 19.07 -15.26 C:303 22.69 -15.94 C:208 11.81 -13.94 C:203 15.42 -11.77 C:107 19.07 -9.66 C:103 21.49 -6.85 C:101 20.28 -8.95 C:6 20.28 -11.77 C:2 17.86 -11.77 C:5 20.28 -13.17 C:3 17.86 -13.17 C:4 19.07 -13.85 C:1 19.07 -11.05 C:202 15.42 -13.17 1 23 2 2 24 2 3 21 1 4 22 1 5 22 1 6 23 1 7 24 1 8 25 2 9 26 1 10 28 1 11 29 1 12 17 1 12 22 2 13 14 2 13 15 1 14 26 1 15 27 2 16 26 2 16 27 1 17 30 1 18 19 1 18 23 1 19 34 1 20 31 1 20 34 1 21 32 1 24 34 1 25 27 1 25 33 1 28 30 1 28 33 2 29 31 2 29 33 1 30 32 2 31 32 1', '34 35 C 10.59 -13.26 C 14.22 -11.05 C 17.86 -15.94 C 22.69 -17.36 C 23.90 -15.26 C 11.81 -15.34 C 16.63 -11.05 O 17.86 -8.95 O 21.49 -5.46 O 21.49 -11.05 O 17.86 -10.34 C 21.49 -15.26 C 22.69 -8.95 C 22.69 -7.58 C 21.49 -9.66 C 20.28 -7.58 C 21.49 -13.94 C 13.00 -13.26 C 14.22 -13.94 C 16.63 -13.94 O 19.07 -15.26 C 22.69 -15.94 C 11.81 -13.94 C 15.42 -11.77 C 19.07 -9.66 C 21.49 -6.85 C 20.28 -8.95 C 20.28 -11.77 C 17.86 -11.77 C 20.28 -13.17 C 17.86 -13.17 C 19.07 -13.85 C 19.07 -11.05 C 15.42 -13.17 1 23 2 2 24 2 3 21 1 4 22 1 5 22 1 6 23 1 7 24 1 8 25 2 9 26 1 10 28 1 11 29 1 12 17 1 12 22 2 13 14 2 13 15 1 14 26 1 15 27 2 16 26 2 16 27 1 17 30 1 18 19 1 18 23 1 19 34 1 20 31 1 20 34 1 21 32 1 24 34 1 25 27 1 25 33 1 28 30 1 28 33 2 29 31 2 29 33 1 30 32 2 31 32 1', '34 35 C:109 10.59 -13.26 C:111 14.22 -11.05 C:61 17.86 -15.94 C:26 22.69 -17.36 C:18 23.90 -15.26 C:22 11.81 -15.34 C:19 16.63 -11.05 O 17.86 -8.95 O 21.49 -5.46 O 21.49 -11.05 O 17.86 -10.34 C:122 21.49 -15.26 C:130 22.69 -8.95 C:120 22.69 -7.58 C:120 21.49 -9.66 C:115 20.28 -7.58 C:23 21.49 -13.94 C:36 13.00 -13.26 C:31 14.22 -13.94 C:29 16.63 -13.94 O 19.07 -15.26 C:133 22.69 -15.94 C:146 11.81 -13.94 C:148 15.42 -11.77 C:198 19.07 -9.66 C:156 21.49 -6.85 C:142 20.28 -8.95 C:157 20.28 -11.77 C:158 17.86 -11.77 C:114 20.28 -13.17 C:114 17.86 -13.17 C:164 19.07 -13.85 C:107 19.07 -11.05 C:47 15.42 -13.17 1 23 2 2 24 2 3 21 1 4 22 1 5 22 1 6 23 1 7 24 1 8 25 2 9 26 1 10 28 1 11 29 1 12 17 1 12 22 2 13 14 2 13 15 1 14 26 1 15 27 2 16 26 2 16 27 1 17 30 1 18 19 1 18 23 1 19 34 1 20 31 1 20 34 1 21 32 1 24 34 1 25 27 1 25 33 1 28 30 1 28 33 2 29 31 2 29 33 1 30 32 2 31 32 1', 'C29H36O5', 464.307, 'C', 'ph52_669_3', 3517, '', '', '1', 47, 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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(13728, 'Nigrolineaxanthone A', '', 'Aromatics', 'Xanthones', '', '[CH3:3001]O[c:3]3[cH:2][c:1](O)[c:9001]2[c:9](=O)[c:8001]1[cH:8][cH:7][cH:6][c:5](O)[c:10001]1o[c:4001]2[c:4]3[CH2:101][CH2:102][C:103]([CH3:105])([CH3:104])O', 'COc3cc(O)c2c(=O)c1cccc(O)c1oc2c3CCC(C)(C)O', '[CH3:56]O[c:164]3[cH:94][c:162](O)[c:104]2[c:181](=O)[c:121]1[cH:116][cH:124][cH:120][c:146](O)[c:145]1o[c:154]2[c:109]3[CH2:16][CH2:41][C:73]([CH3:30])([CH3:30])O', '25 27 C:3001 22.11 -10.41 C:105 18.49 -15.29 C:104 16.06 -15.29 O 16.06 -6.89 O 13.57 -12.50 O 18.49 -6.89 O 17.27 -15.99 C:7 12.42 -9.00 C:6 12.42 -10.41 C:8 13.57 -8.30 C:2 19.69 -9.00 C:101 18.49 -12.50 C:102 17.27 -13.19 O 20.88 -11.09 O 16.06 -11.09 C:5 13.57 -11.09 C:1 18.49 -8.30 C:3 19.69 -10.41 C:4 18.49 -11.09 C:9 16.06 -8.30 C:8001 14.83 -9.00 C:10001 14.83 -10.41 C:4001 17.27 -10.41 C:9001 17.27 -9.00 C:103 17.27 -14.59 1 14 1 2 25 1 3 25 1 4 20 2 5 16 1 6 17 1 7 25 1 8 9 1 8 10 2 9 16 2 10 21 1 11 17 2 11 18 1 12 13 1 12 19 1 13 25 1 14 18 1 15 22 1 15 23 1 16 22 1 17 24 1 18 19 2 19 23 1 20 21 1 20 24 1 21 22 2 23 24 2', '25 27 C 22.11 -10.41 C 18.49 -15.29 C 16.06 -15.29 O 16.06 -6.89 O 13.57 -12.50 O 18.49 -6.89 O 17.27 -15.99 C 12.42 -9.00 C 12.42 -10.41 C 13.57 -8.30 C 19.69 -9.00 C 18.49 -12.50 C 17.27 -13.19 O 20.88 -11.09 O 16.06 -11.09 C 13.57 -11.09 C 18.49 -8.30 C 19.69 -10.41 C 18.49 -11.09 C 16.06 -8.30 C 14.83 -9.00 C 14.83 -10.41 C 17.27 -10.41 C 17.27 -9.00 C 17.27 -14.59 1 14 1 2 25 1 3 25 1 4 20 2 5 16 1 6 17 1 7 25 1 8 9 1 8 10 2 9 16 2 10 21 1 11 17 2 11 18 1 12 13 1 12 19 1 13 25 1 14 18 1 15 22 1 15 23 1 16 22 1 17 24 1 18 19 2 19 23 1 20 21 1 20 24 1 21 22 2 23 24 2', '25 27 C:56 22.11 -10.41 C:30 18.49 -15.29 C:30 16.06 -15.29 O 16.06 -6.89 O 13.57 -12.50 O 18.49 -6.89 O 17.27 -15.99 C:124 12.42 -9.00 C:120 12.42 -10.41 C:116 13.57 -8.30 C:94 19.69 -9.00 C:16 18.49 -12.50 C:41 17.27 -13.19 O 20.88 -11.09 O 16.06 -11.09 C:146 13.57 -11.09 C:162 18.49 -8.30 C:164 19.69 -10.41 C:109 18.49 -11.09 C:181 16.06 -8.30 C:121 14.83 -9.00 C:145 14.83 -10.41 C:154 17.27 -10.41 C:104 17.27 -9.00 C:73 17.27 -14.59 1 14 1 2 25 1 3 25 1 4 20 2 5 16 1 6 17 1 7 25 1 8 9 1 8 10 2 9 16 2 10 21 1 11 17 2 11 18 1 12 13 1 12 19 1 13 25 1 14 18 1 15 22 1 15 23 1 16 22 1 17 24 1 18 19 2 19 23 1 20 21 1 20 24 1 21 22 2 23 24 2', 'C19H20O6', 344.2, 'C', 'ph64_1149_1', 3524, '', '', '1', 47, NULL, NULL),
(13729, 'Nigrolineaxanthone B', '', 'Aromatics', 'Xanthones', '', '[CH3:3001]O[c:3]4[cH:2][c:1](O)[c:9001]3[c:9](=O)[c:8001]2[cH:8][c:7]1[CH:201]=[CH:202][C:203]([CH3:205])([CH3:204])O[c:6]1[c:5](O)[c:10001]2o[c:4001]3[c:4]4[CH2:101][CH2:102][C:103]([CH3:104])([CH3:105])O', 'COc4cc(O)c3c(=O)c2cc1C=CC(C)(C)Oc1c(O)c2oc3c4CCC(C)(C)O', '[CH3:56]O[c:163]4[cH:94][c:162](O)[c:103]3[c:181](=O)[c:114]2[cH:113][c:118]1[CH:122]=[CH:131][C:78]([CH3:29])([CH3:29])O[c:145]1[c:139](O)[c:146]2o[c:154]3[c:109]4[CH2:17][CH2:41][C:72]([CH3:30])([CH3:30])O', '31 34 C:3001 23.37 -12.46 C:104 20.93 -15.23 C:105 18.51 -15.23 C:205 12.06 -11.71 C:204 11.08 -10.02 O 18.51 -6.87 O 20.93 -6.87 O 16.02 -12.46 O 19.72 -15.96 C:201 13.66 -8.27 C:202 12.44 -8.97 C:2 22.18 -8.97 C:8 16.02 -8.27 C:101 20.93 -12.46 C:102 19.72 -13.14 O 23.37 -11.06 O 13.66 -11.06 O 18.51 -11.06 C:1 20.93 -8.27 C:7 14.88 -8.97 C:5 16.02 -11.06 C:3 22.18 -10.38 C:6 14.88 -10.38 C:4 20.93 -11.06 C:9 18.51 -8.27 C:8001 17.28 -8.97 C:10001 17.28 -10.38 C:4001 19.72 -10.38 C:9001 19.72 -8.97 C:103 19.72 -14.54 C:203 12.44 -10.38 1 16 1 2 30 1 3 30 1 4 31 1 5 31 1 6 25 2 7 19 1 8 21 1 9 30 1 10 11 2 10 20 1 11 31 1 12 19 2 12 22 1 13 20 2 13 26 1 14 15 1 14 24 1 15 30 1 16 22 1 17 23 1 17 31 1 18 27 1 18 28 1 19 29 1 20 23 1 21 23 2 21 27 1 22 24 2 24 28 1 25 26 1 25 29 1 26 27 2 28 29 2', '31 34 C 23.37 -12.46 C 20.93 -15.23 C 18.51 -15.23 C 12.06 -11.71 C 11.08 -10.02 O 18.51 -6.87 O 20.93 -6.87 O 16.02 -12.46 O 19.72 -15.96 C 13.66 -8.27 C 12.44 -8.97 C 22.18 -8.97 C 16.02 -8.27 C 20.93 -12.46 C 19.72 -13.14 O 23.37 -11.06 O 13.66 -11.06 O 18.51 -11.06 C 20.93 -8.27 C 14.88 -8.97 C 16.02 -11.06 C 22.18 -10.38 C 14.88 -10.38 C 20.93 -11.06 C 18.51 -8.27 C 17.28 -8.97 C 17.28 -10.38 C 19.72 -10.38 C 19.72 -8.97 C 19.72 -14.54 C 12.44 -10.38 1 16 1 2 30 1 3 30 1 4 31 1 5 31 1 6 25 2 7 19 1 8 21 1 9 30 1 10 11 2 10 20 1 11 31 1 12 19 2 12 22 1 13 20 2 13 26 1 14 15 1 14 24 1 15 30 1 16 22 1 17 23 1 17 31 1 18 27 1 18 28 1 19 29 1 20 23 1 21 23 2 21 27 1 22 24 2 24 28 1 25 26 1 25 29 1 26 27 2 28 29 2', '31 34 C:56 23.37 -12.46 C:30 20.93 -15.23 C:30 18.51 -15.23 C:29 12.06 -11.71 C:29 11.08 -10.02 O 18.51 -6.87 O 20.93 -6.87 O 16.02 -12.46 O 19.72 -15.96 C:122 13.66 -8.27 C:131 12.44 -8.97 C:94 22.18 -8.97 C:113 16.02 -8.27 C:17 20.93 -12.46 C:41 19.72 -13.14 O 23.37 -11.06 O 13.66 -11.06 O 18.51 -11.06 C:162 20.93 -8.27 C:118 14.88 -8.97 C:139 16.02 -11.06 C:163 22.18 -10.38 C:145 14.88 -10.38 C:109 20.93 -11.06 C:181 18.51 -8.27 C:114 17.28 -8.97 C:146 17.28 -10.38 C:154 19.72 -10.38 C:103 19.72 -8.97 C:72 19.72 -14.54 C:78 12.44 -10.38 1 16 1 2 30 1 3 30 1 4 31 1 5 31 1 6 25 2 7 19 1 8 21 1 9 30 1 10 11 2 10 20 1 11 31 1 12 19 2 12 22 1 13 20 2 13 26 1 14 15 1 14 24 1 15 30 1 16 22 1 17 23 1 17 31 1 18 27 1 18 28 1 19 29 1 20 23 1 21 23 2 21 27 1 22 24 2 24 28 1 25 26 1 25 29 1 26 27 2 28 29 2', 'C24H26O7', 426.253, 'C', 'ph64_1149_2', 3524, '', '', '1', 47, NULL, NULL),
(13730, 'Nigrolineaxanthone C', '', 'Aromatics', 'Xanthones', '', '[CH3:3001]O[c:3]3[cH:2][c:1](O)[c:9001]2[c:9](=O)[c:8001]1[cH:8][cH:7][cH:6][c:5](O)[c:10001]1o[c:4001]2[c:4]3[CH2:101][CH:102](O)[C:103]([CH3:104])([CH3:105])O', 'COc3cc(O)c2c(=O)c1cccc(O)c1oc2c3CC(O)C(C)(C)O', '[CH3:56]O[c:164]3[cH:94][c:162](O)[c:104]2[c:181](=O)[c:121]1[cH:116][cH:124][cH:120][c:145](O)[c:145]1o[c:154]2[c:106]3[CH2:26][CH:80](O)[C:74]([CH3:25])([CH3:25])O', '26 28 C:3001 22.11 -10.40 C:104 16.05 -15.28 C:105 18.49 -15.28 O 16.05 -6.89 O 13.56 -12.49 O 18.49 -6.89 O 16.05 -12.49 O 17.26 -15.98 C:7 12.41 -8.99 C:6 12.41 -10.40 C:8 13.56 -8.29 C:2 19.69 -8.99 C:101 18.49 -12.49 O 20.88 -11.08 O 16.05 -11.08 C:5 13.56 -11.08 C:1 18.49 -8.29 C:3 19.69 -10.40 C:4 18.49 -11.08 C:9 16.05 -8.29 C:8001 14.82 -8.99 C:10001 14.82 -10.40 C:4001 17.26 -10.40 C:9001 17.26 -8.99 C:102 17.26 -13.18 C:103 17.26 -14.58 1 14 1 2 26 1 3 26 1 4 20 2 5 16 1 6 17 1 7 25 1 8 26 1 9 10 1 9 11 2 10 16 2 11 21 1 12 17 2 12 18 1 13 19 1 13 25 1 14 18 1 15 22 1 15 23 1 16 22 1 17 24 1 18 19 2 19 23 1 20 21 1 20 24 1 21 22 2 23 24 2 25 26 1', '26 28 C 22.11 -10.40 C 16.05 -15.28 C 18.49 -15.28 O 16.05 -6.89 O 13.56 -12.49 O 18.49 -6.89 O 16.05 -12.49 O 17.26 -15.98 C 12.41 -8.99 C 12.41 -10.40 C 13.56 -8.29 C 19.69 -8.99 C 18.49 -12.49 O 20.88 -11.08 O 16.05 -11.08 C 13.56 -11.08 C 18.49 -8.29 C 19.69 -10.40 C 18.49 -11.08 C 16.05 -8.29 C 14.82 -8.99 C 14.82 -10.40 C 17.26 -10.40 C 17.26 -8.99 C 17.26 -13.18 C 17.26 -14.58 1 14 1 2 26 1 3 26 1 4 20 2 5 16 1 6 17 1 7 25 1 8 26 1 9 10 1 9 11 2 10 16 2 11 21 1 12 17 2 12 18 1 13 19 1 13 25 1 14 18 1 15 22 1 15 23 1 16 22 1 17 24 1 18 19 2 19 23 1 20 21 1 20 24 1 21 22 2 23 24 2 25 26 1', '26 28 C:56 22.11 -10.40 C:25 16.05 -15.28 C:25 18.49 -15.28 O 16.05 -6.89 O 13.56 -12.49 O 18.49 -6.89 O 16.05 -12.49 O 17.26 -15.98 C:124 12.41 -8.99 C:120 12.41 -10.40 C:116 13.56 -8.29 C:94 19.69 -8.99 C:26 18.49 -12.49 O 20.88 -11.08 O 16.05 -11.08 C:145 13.56 -11.08 C:162 18.49 -8.29 C:164 19.69 -10.40 C:106 18.49 -11.08 C:181 16.05 -8.29 C:121 14.82 -8.99 C:145 14.82 -10.40 C:154 17.26 -10.40 C:104 17.26 -8.99 C:80 17.26 -13.18 C:74 17.26 -14.58 1 14 1 2 26 1 3 26 1 4 20 2 5 16 1 6 17 1 7 25 1 8 26 1 9 10 1 9 11 2 10 16 2 11 21 1 12 17 2 12 18 1 13 19 1 13 25 1 14 18 1 15 22 1 15 23 1 16 22 1 17 24 1 18 19 2 19 23 1 20 21 1 20 24 1 21 22 2 23 24 2 25 26 1', 'C19H20O7', 360.199, 'C', 'ph64_1149_3', 3524, '', '', '1', 47, 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
(13731, 'Nigrolineaxanthone D', '', 'Aromatics', 'Xanthones', '', '[CH3:105][C:103]([CH3:104])(O)[CH2:102][CH2:101][c:8]2[c:7](O)[cH:6][cH:5][c:10001]3o[c:4001]1[cH:4][c:3](O)[cH:2][c:1](O)[c:9001]1[c:9](=O)[c:8001]23', 'CC(C)(O)CCc2c(O)ccc3oc1cc(O)cc(O)c1c(=O)c23', '[CH3:29][C:71]([CH3:29])(O)[CH2:43][CH2:21][c:130]2[c:151](O)[cH:124][cH:116][c:152]3o[c:158]1[cH:94][c:165](O)[cH:98][c:163](O)[c:104]1[c:183](=O)[c:119]23', '24 26 C:105 17.26 -8.29 C:104 14.84 -8.29 O 17.26 -11.09 O 22.12 -15.29 O 12.42 -12.49 O 19.70 -11.09 O 16.05 -7.59 C:6 13.63 -14.59 C:5 14.84 -15.29 C:2 20.91 -13.19 C:4 19.70 -15.29 C:101 14.84 -11.09 C:102 16.05 -10.39 O 17.26 -15.29 C:3 20.91 -14.59 C:7 13.63 -13.19 C:1 19.70 -12.49 C:8 14.84 -12.49 C:9 17.26 -12.49 C:10001 16.05 -14.59 C:4001 18.49 -14.59 C:9001 18.49 -13.19 C:8001 16.05 -13.19 C:103 16.05 -8.99 1 24 1 2 24 1 3 19 2 4 15 1 5 16 1 6 17 1 7 24 1 8 9 1 8 16 2 9 20 2 10 15 2 10 17 1 11 15 1 11 21 2 12 13 1 12 18 1 13 24 1 14 20 1 14 21 1 16 18 1 17 22 2 18 23 2 19 22 1 19 23 1 20 23 1 21 22 1', '24 26 C 17.26 -8.29 C 14.84 -8.29 O 17.26 -11.09 O 22.12 -15.29 O 12.42 -12.49 O 19.70 -11.09 O 16.05 -7.59 C 13.63 -14.59 C 14.84 -15.29 C 20.91 -13.19 C 19.70 -15.29 C 14.84 -11.09 C 16.05 -10.39 O 17.26 -15.29 C 20.91 -14.59 C 13.63 -13.19 C 19.70 -12.49 C 14.84 -12.49 C 17.26 -12.49 C 16.05 -14.59 C 18.49 -14.59 C 18.49 -13.19 C 16.05 -13.19 C 16.05 -8.99 1 24 1 2 24 1 3 19 2 4 15 1 5 16 1 6 17 1 7 24 1 8 9 1 8 16 2 9 20 2 10 15 2 10 17 1 11 15 1 11 21 2 12 13 1 12 18 1 13 24 1 14 20 1 14 21 1 16 18 1 17 22 2 18 23 2 19 22 1 19 23 1 20 23 1 21 22 1', '24 26 C:29 17.26 -8.29 C:29 14.84 -8.29 O 17.26 -11.09 O 22.12 -15.29 O 12.42 -12.49 O 19.70 -11.09 O 16.05 -7.59 C:124 13.63 -14.59 C:116 14.84 -15.29 C:98 20.91 -13.19 C:94 19.70 -15.29 C:21 14.84 -11.09 C:43 16.05 -10.39 O 17.26 -15.29 C:165 20.91 -14.59 C:151 13.63 -13.19 C:163 19.70 -12.49 C:130 14.84 -12.49 C:183 17.26 -12.49 C:152 16.05 -14.59 C:158 18.49 -14.59 C:104 18.49 -13.19 C:119 16.05 -13.19 C:71 16.05 -8.99 1 24 1 2 24 1 3 19 2 4 15 1 5 16 1 6 17 1 7 24 1 8 9 1 8 16 2 9 20 2 10 15 2 10 17 1 11 15 1 11 21 2 12 13 1 12 18 1 13 24 1 14 20 1 14 21 1 16 18 1 17 22 2 18 23 2 19 22 1 19 23 1 20 23 1 21 22 1', 'C18H18O6', 330.189, 'C', 'ph64_1149_4', 3524, '', '', '1', 47, NULL, NULL),
(13732, 'Nigrolineaxanthone E', '', 'Aromatics', 'Xanthones', '', '[CH2:205]=[CH:204][C:201]([CH3:202])([CH3:203])[c:4]2[c:3](O[CH3:3001])[c:2]([CH2:101][CH:102]=[C:103]([CH3:105])[CH3:104])[c:1](O)[c:9001]3[c:9](=O)[c:8001]1[cH:8][cH:7][c:6](O)[c:5](O)[c:10001]1o[c:4001]23', 'C=CC(C)(C)c2c(OC)c(CC=C(C)C)c(O)c3c(=O)c1ccc(O)c(O)c1oc23', '[CH2:104]=[CH:157][C:42]([CH3:29])([CH3:29])[c:119]2[c:164](O[CH3:63])[c:118]([CH2:23][CH:123]=[C:132]([CH3:26])[CH3:18])[c:160](O)[c:106]3[c:181](=O)[c:114]1[cH:118][cH:113][c:149](O)[c:131](O)[c:145]1o[c:153]23', '30 32 C:205 16.64 -15.26 C:3001 21.48 -11.06 C:105 23.91 -9.66 C:104 22.69 -7.56 C:202 16.64 -13.86 C:203 19.07 -13.86 O 15.41 -7.56 O 10.57 -11.76 O 12.99 -13.16 O 17.85 -7.56 C:204 17.85 -14.56 C:102 21.48 -9.66 C:7 11.78 -9.66 C:8 12.99 -8.96 C:101 20.28 -8.96 O 20.28 -11.76 O 15.41 -11.76 C:103 22.69 -8.96 C:6 11.78 -11.06 C:5 12.99 -11.76 C:1 17.85 -8.96 C:2 19.07 -9.66 C:3 19.07 -11.06 C:4 17.85 -11.76 C:9 15.41 -8.96 C:8001 14.20 -9.66 C:10001 14.20 -11.06 C:4001 16.64 -11.06 C:9001 16.64 -9.66 C:201 17.85 -13.16 1 11 2 2 16 1 3 18 1 4 18 1 5 30 1 6 30 1 7 25 2 8 19 1 9 20 1 10 21 1 11 30 1 12 15 1 12 18 2 13 14 1 13 19 2 14 26 2 15 22 1 16 23 1 17 27 1 17 28 1 19 20 1 20 27 2 21 22 1 21 29 2 22 23 2 23 24 1 24 28 2 24 30 1 25 26 1 25 29 1 26 27 1 28 29 1', '30 32 C 16.64 -15.26 C 21.48 -11.06 C 23.91 -9.66 C 22.69 -7.56 C 16.64 -13.86 C 19.07 -13.86 O 15.41 -7.56 O 10.57 -11.76 O 12.99 -13.16 O 17.85 -7.56 C 17.85 -14.56 C 21.48 -9.66 C 11.78 -9.66 C 12.99 -8.96 C 20.28 -8.96 O 20.28 -11.76 O 15.41 -11.76 C 22.69 -8.96 C 11.78 -11.06 C 12.99 -11.76 C 17.85 -8.96 C 19.07 -9.66 C 19.07 -11.06 C 17.85 -11.76 C 15.41 -8.96 C 14.20 -9.66 C 14.20 -11.06 C 16.64 -11.06 C 16.64 -9.66 C 17.85 -13.16 1 11 2 2 16 1 3 18 1 4 18 1 5 30 1 6 30 1 7 25 2 8 19 1 9 20 1 10 21 1 11 30 1 12 15 1 12 18 2 13 14 1 13 19 2 14 26 2 15 22 1 16 23 1 17 27 1 17 28 1 19 20 1 20 27 2 21 22 1 21 29 2 22 23 2 23 24 1 24 28 2 24 30 1 25 26 1 25 29 1 26 27 1 28 29 1', '30 32 C:104 16.64 -15.26 C:63 21.48 -11.06 C:26 23.91 -9.66 C:18 22.69 -7.56 C:29 16.64 -13.86 C:29 19.07 -13.86 O 15.41 -7.56 O 10.57 -11.76 O 12.99 -13.16 O 17.85 -7.56 C:157 17.85 -14.56 C:123 21.48 -9.66 C:113 11.78 -9.66 C:118 12.99 -8.96 C:23 20.28 -8.96 O 20.28 -11.76 O 15.41 -11.76 C:132 22.69 -8.96 C:149 11.78 -11.06 C:131 12.99 -11.76 C:160 17.85 -8.96 C:118 19.07 -9.66 C:164 19.07 -11.06 C:119 17.85 -11.76 C:181 15.41 -8.96 C:114 14.20 -9.66 C:145 14.20 -11.06 C:153 16.64 -11.06 C:106 16.64 -9.66 C:42 17.85 -13.16 1 11 2 2 16 1 3 18 1 4 18 1 5 30 1 6 30 1 7 25 2 8 19 1 9 20 1 10 21 1 11 30 1 12 15 1 12 18 2 13 14 1 13 19 2 14 26 2 15 22 1 16 23 1 17 27 1 17 28 1 19 20 1 20 27 2 21 22 1 21 29 2 22 23 2 23 24 1 24 28 2 24 30 1 25 26 1 25 29 1 26 27 1 28 29 1', 'C24H26O6', 410.253, 'C', 'ph64_1149_5', 3524, '', '', '1', 47, NULL, NULL),
(13733, 'Nigrolineaxanthone F', '', 'Aromatics', 'Xanthones', '', '[CH3:105][C@@:103]4([CH3:104])[CH:102]=[CH:101][c:4]2[c:3]([cH:2][c:1](O)[c:9001]3[c:9](=O)[c:8001]1[cH:8][c:7](O)[cH:6][cH:5][c:10001]1o[c:4001]23)O4', 'C[C@@]4(C)C=Cc2c(cc(O)c3c(=O)c1cc(O)ccc1oc23)O4', '[CH3:28][C@@:78]4([CH3:28])[CH:127]=[CH:115][c:101]2[c:161]([cH:99][c:163](O)[c:104]3[c:181](=O)[c:121]1[cH:109][c:152](O)[cH:124][cH:119][c:150]1o[c:152]23)O4', '23 26 C:105 21.78 -14.89 C:104 22.81 -13.19 O 16.57 -7.92 O 11.73 -9.29 O 19.02 -7.92 C:101 19.02 -13.50 C:102 20.21 -14.21 C:6 12.93 -11.41 C:5 14.13 -12.09 C:2 20.21 -10.00 C:8 14.13 -9.31 O 21.44 -12.09 O 16.57 -12.09 C:7 12.93 -10.00 C:1 19.02 -9.29 C:3 20.21 -11.41 C:4 19.02 -12.09 C:9 16.57 -9.29 C:10001 15.35 -11.41 C:8001 15.35 -10.00 C:4001 17.81 -11.41 C:9001 17.81 -10.00 C:103 21.44 -13.50 23 1 -1 23 2 -2 3 18 2 4 14 1 5 15 1 6 7 2 6 17 1 7 23 1 8 9 2 8 14 1 9 19 1 10 15 2 10 16 1 11 14 2 11 20 1 12 16 1 12 23 1 13 19 1 13 21 1 15 22 1 16 17 2 17 21 1 18 20 1 18 22 1 19 20 2 21 22 2', '23 26 C 21.78 -14.89 C 22.81 -13.19 O 16.57 -7.92 O 11.73 -9.29 O 19.02 -7.92 C 19.02 -13.50 C 20.21 -14.21 C 12.93 -11.41 C 14.13 -12.09 C 20.21 -10.00 C 14.13 -9.31 O 21.44 -12.09 O 16.57 -12.09 C 12.93 -10.00 C 19.02 -9.29 C 20.21 -11.41 C 19.02 -12.09 C 16.57 -9.29 C 15.35 -11.41 C 15.35 -10.00 C 17.81 -11.41 C 17.81 -10.00 C 21.44 -13.50 23 1 -1 23 2 -2 3 18 2 4 14 1 5 15 1 6 7 2 6 17 1 7 23 1 8 9 2 8 14 1 9 19 1 10 15 2 10 16 1 11 14 2 11 20 1 12 16 1 12 23 1 13 19 1 13 21 1 15 22 1 16 17 2 17 21 1 18 20 1 18 22 1 19 20 2 21 22 2', '23 26 C:28 21.78 -14.89 C:28 22.81 -13.19 O 16.57 -7.92 O 11.73 -9.29 O 19.02 -7.92 C:115 19.02 -13.50 C:127 20.21 -14.21 C:124 12.93 -11.41 C:119 14.13 -12.09 C:99 20.21 -10.00 C:109 14.13 -9.31 O 21.44 -12.09 O 16.57 -12.09 C:152 12.93 -10.00 C:163 19.02 -9.29 C:161 20.21 -11.41 C:101 19.02 -12.09 C:181 16.57 -9.29 C:150 15.35 -11.41 C:121 15.35 -10.00 C:152 17.81 -11.41 C:104 17.81 -10.00 C:78 21.44 -13.50 23 1 -1 23 2 -2 3 18 2 4 14 1 5 15 1 6 7 2 6 17 1 7 23 1 8 9 2 8 14 1 9 19 1 10 15 2 10 16 1 11 14 2 11 20 1 12 16 1 12 23 1 13 19 1 13 21 1 15 22 1 16 17 2 17 21 1 18 20 1 18 22 1 19 20 2 21 22 2', 'C18H14O5', 310.19, 'C', 'ph64_1149_6', 3524, '', '', '1', 47, NULL, NULL),
(13734, 'Nigrolineaxanthone G', '', 'Aromatics', 'Xanthones', '', '[CH3:205][C:203]5([CH3:204])[CH:202]=[CH:201][c:7]4[cH:8][c:8001]3[c:9](=O)[c:9001]2[c:1](O)[c:2]1[CH2:101][CH2:102][C:103]([CH3:105])([CH3:104])O[c:3]1[cH:4][c:4001]2o[c:10001]3[c:5](O)[c:6]4O5', 'CC5(C)C=Cc4cc3c(=O)c2c(O)c1CCC(C)(C)Oc1cc2oc3c(O)c4O5', '[CH3:28][C:79]5([CH3:28])[CH:130]=[CH:116][c:109]4[cH:109][c:115]3[c:180](=O)[c:103]2[c:160](O)[c:112]1[CH2:16][CH2:41][C:73]([CH3:29])([CH3:29])O[c:162]1[cH:95][c:156]2o[c:142]3[c:146](O)[c:146]4O5', '29 33 C:205 10.80 -13.46 C:204 9.83 -11.76 C:105 23.64 -13.46 C:104 24.63 -11.76 O 17.22 -8.61 O 19.68 -8.61 O 14.78 -14.22 C:201 12.40 -10.01 C:202 11.18 -10.71 C:8 14.78 -10.01 C:4 19.68 -12.82 C:101 22.08 -10.01 C:102 23.29 -10.71 O 22.08 -12.82 O 12.40 -12.82 O 17.22 -12.82 C:7 13.61 -10.71 C:1 19.68 -10.01 C:5 14.78 -12.82 C:3 20.87 -12.12 C:2 20.87 -10.71 C:6 13.61 -12.12 C:9 17.22 -10.01 C:4001 18.46 -12.12 C:8001 15.99 -10.71 C:10001 15.99 -12.12 C:9001 18.46 -10.71 C:203 11.18 -12.12 C:103 23.29 -12.12 1 28 1 2 28 1 3 29 1 4 29 1 5 23 2 6 18 1 7 19 1 8 9 2 8 17 1 9 28 1 10 17 2 10 25 1 11 20 2 11 24 1 12 13 1 12 21 1 13 29 1 14 20 1 14 29 1 15 22 1 15 28 1 16 24 1 16 26 1 17 22 1 18 21 2 18 27 1 19 22 2 19 26 1 20 21 1 23 25 1 23 27 1 24 27 2 25 26 2', '29 33 C 10.80 -13.46 C 9.83 -11.76 C 23.64 -13.46 C 24.63 -11.76 O 17.22 -8.61 O 19.68 -8.61 O 14.78 -14.22 C 12.40 -10.01 C 11.18 -10.71 C 14.78 -10.01 C 19.68 -12.82 C 22.08 -10.01 C 23.29 -10.71 O 22.08 -12.82 O 12.40 -12.82 O 17.22 -12.82 C 13.61 -10.71 C 19.68 -10.01 C 14.78 -12.82 C 20.87 -12.12 C 20.87 -10.71 C 13.61 -12.12 C 17.22 -10.01 C 18.46 -12.12 C 15.99 -10.71 C 15.99 -12.12 C 18.46 -10.71 C 11.18 -12.12 C 23.29 -12.12 1 28 1 2 28 1 3 29 1 4 29 1 5 23 2 6 18 1 7 19 1 8 9 2 8 17 1 9 28 1 10 17 2 10 25 1 11 20 2 11 24 1 12 13 1 12 21 1 13 29 1 14 20 1 14 29 1 15 22 1 15 28 1 16 24 1 16 26 1 17 22 1 18 21 2 18 27 1 19 22 2 19 26 1 20 21 1 23 25 1 23 27 1 24 27 2 25 26 2', '29 33 C:28 10.80 -13.46 C:28 9.83 -11.76 C:29 23.64 -13.46 C:29 24.63 -11.76 O 17.22 -8.61 O 19.68 -8.61 O 14.78 -14.22 C:116 12.40 -10.01 C:130 11.18 -10.71 C:109 14.78 -10.01 C:95 19.68 -12.82 C:16 22.08 -10.01 C:41 23.29 -10.71 O 22.08 -12.82 O 12.40 -12.82 O 17.22 -12.82 C:109 13.61 -10.71 C:160 19.68 -10.01 C:146 14.78 -12.82 C:162 20.87 -12.12 C:112 20.87 -10.71 C:146 13.61 -12.12 C:180 17.22 -10.01 C:156 18.46 -12.12 C:115 15.99 -10.71 C:142 15.99 -12.12 C:103 18.46 -10.71 C:79 11.18 -12.12 C:73 23.29 -12.12 1 28 1 2 28 1 3 29 1 4 29 1 5 23 2 6 18 1 7 19 1 8 9 2 8 17 1 9 28 1 10 17 2 10 25 1 11 20 2 11 24 1 12 13 1 12 21 1 13 29 1 14 20 1 14 29 1 15 22 1 15 28 1 16 24 1 16 26 1 17 22 1 18 21 2 18 27 1 19 22 2 19 26 1 20 21 1 23 25 1 23 27 1 24 27 2 25 26 2', 'C23H22O6', 394.242, 'C', 'ph64_1149_7', 3524, '', '', '1', 47, NULL, NULL),
(13735, 'Nigrolineaxanthone H', '', 'Aromatics', 'Xanthones', '', '[CH3:105][C:103]1([CH3:104])[CH:102]=[CH:101][c:5]3[c:6](O1)[c:7](O)[cH:8][c:8001]4[c:9](=O)[c:9001]2[c:1](O)[cH:2][cH:3][cH:4][c:4001]2o[c:10001]34', 'CC1(C)C=Cc3c(O1)c(O)cc4c(=O)c2c(O)cccc2oc34', '[CH3:28][C:80]1([CH3:28])[CH:130]=[CH:115][c:109]3[c:147](O1)[c:147](O)[cH:109][c:114]4[c:181](=O)[c:109]2[c:162](O)[cH:110][cH:136][cH:107][c:156]2o[c:142]34', '23 26 C:105 12.35 -13.20 C:104 13.35 -14.92 O 18.56 -7.95 O 13.71 -9.35 O 20.98 -7.95 C:101 16.13 -13.56 C:102 14.92 -14.26 C:3 22.19 -11.47 C:2 22.19 -10.06 C:4 20.98 -12.15 C:8 16.13 -9.36 O 13.71 -12.16 O 18.56 -12.15 C:7 14.92 -10.06 C:1 20.98 -9.35 C:5 16.13 -12.15 C:6 14.92 -11.47 C:9 18.56 -9.35 C:4001 19.78 -11.47 C:8001 17.34 -10.06 C:10001 17.34 -11.47 C:9001 19.78 -10.06 C:103 13.71 -13.56 1 23 1 2 23 1 3 18 2 4 14 1 5 15 1 6 7 2 6 16 1 7 23 1 8 9 1 8 10 2 9 15 2 10 19 1 11 14 2 11 20 1 12 17 1 12 23 1 13 19 1 13 21 1 14 17 1 15 22 1 16 17 2 16 21 1 18 20 1 18 22 1 19 22 2 20 21 2', '23 26 C 12.35 -13.20 C 13.35 -14.92 O 18.56 -7.95 O 13.71 -9.35 O 20.98 -7.95 C 16.13 -13.56 C 14.92 -14.26 C 22.19 -11.47 C 22.19 -10.06 C 20.98 -12.15 C 16.13 -9.36 O 13.71 -12.16 O 18.56 -12.15 C 14.92 -10.06 C 20.98 -9.35 C 16.13 -12.15 C 14.92 -11.47 C 18.56 -9.35 C 19.78 -11.47 C 17.34 -10.06 C 17.34 -11.47 C 19.78 -10.06 C 13.71 -13.56 1 23 1 2 23 1 3 18 2 4 14 1 5 15 1 6 7 2 6 16 1 7 23 1 8 9 1 8 10 2 9 15 2 10 19 1 11 14 2 11 20 1 12 17 1 12 23 1 13 19 1 13 21 1 14 17 1 15 22 1 16 17 2 16 21 1 18 20 1 18 22 1 19 22 2 20 21 2', '23 26 C:28 12.35 -13.20 C:28 13.35 -14.92 O 18.56 -7.95 O 13.71 -9.35 O 20.98 -7.95 C:115 16.13 -13.56 C:130 14.92 -14.26 C:136 22.19 -11.47 C:110 22.19 -10.06 C:107 20.98 -12.15 C:109 16.13 -9.36 O 13.71 -12.16 O 18.56 -12.15 C:147 14.92 -10.06 C:162 20.98 -9.35 C:109 16.13 -12.15 C:147 14.92 -11.47 C:181 18.56 -9.35 C:156 19.78 -11.47 C:114 17.34 -10.06 C:142 17.34 -11.47 C:109 19.78 -10.06 C:80 13.71 -13.56 1 23 1 2 23 1 3 18 2 4 14 1 5 15 1 6 7 2 6 16 1 7 23 1 8 9 1 8 10 2 9 15 2 10 19 1 11 14 2 11 20 1 12 17 1 12 23 1 13 19 1 13 21 1 14 17 1 15 22 1 16 17 2 16 21 1 18 20 1 18 22 1 19 22 2 20 21 2', 'C18H14O5', 310.19, 'C', 'ph64_1149_8', 3524, '', '', '1', 47, NULL, NULL),
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(13740, 'Allanxanthone B', '', 'Aromatics', 'Xanthones', '', '[CH3:108][C:107]([CH3:109])=[CH:106][CH2:105][CH2:104][C:103]([CH3:110])=[CH:102][CH2:101][c:2]4[c:3](O)[cH:4][c:4001]3o[c:10001]2[cH:5][c:6](O)[c:7]1O[C:203]([CH3:205])([CH3:204])[CH:202]=[CH:201][c:8]1[c:8001]2[c:9](=O)[c:9001]3[c:1]4O', 'CC(C)=CCCC(C)=CCc4c(O)cc3oc2cc(O)c1OC(C)(C)C=Cc1c2c(=O)c3c4O', '[CH3:18][C:131]([CH3:26])=[CH:124][CH2:27][CH2:40][C:135]([CH3:16])=[CH:123][CH2:22][c:111]4[c:163](O)[cH:93][c:156]3o[c:154]2[cH:102][c:158](O)[c:144]1O[C:80]([CH3:30])([CH3:30])[CH:122]=[CH:132][c:109]1[c:119]2[c:182](=O)[c:103]3[c:162]4O', '34 37 C:108 25.17 -8.28 C:109 23.95 -6.18 C:110 22.77 -12.48 C:205 9.33 -12.84 C:204 10.31 -11.12 O 15.52 -12.44 O 20.35 -16.68 O 10.70 -16.68 O 17.96 -12.44 C:201 13.10 -12.44 C:202 11.90 -11.76 C:106 22.77 -8.28 C:102 20.35 -12.48 C:4 17.96 -16.68 C:5 13.10 -16.68 C:105 22.77 -9.66 C:101 20.35 -13.86 C:104 21.55 -10.36 O 10.70 -13.86 O 15.52 -16.68 C:107 23.95 -7.58 C:103 21.55 -11.76 C:3 19.13 -15.96 C:6 11.90 -15.96 C:1 17.96 -13.86 C:8 13.10 -13.86 C:2 19.13 -14.55 C:7 11.90 -14.55 C:9 15.52 -13.86 C:4001 16.75 -15.96 C:10001 14.32 -15.96 C:9001 16.75 -14.55 C:8001 14.32 -14.55 C:203 10.70 -12.48 1 21 1 2 21 1 3 22 1 4 34 1 5 34 1 6 29 2 7 23 1 8 24 1 9 25 1 10 11 2 10 26 1 11 34 1 12 16 1 12 21 2 13 17 1 13 22 2 14 23 2 14 30 1 15 24 2 15 31 1 16 18 1 17 27 1 18 22 1 19 28 1 19 34 1 20 30 1 20 31 1 23 27 1 24 28 1 25 27 2 25 32 1 26 28 2 26 33 1 29 32 1 29 33 1 30 32 2 31 33 2', '34 37 C 25.17 -8.28 C 23.95 -6.18 C 22.77 -12.48 C 9.33 -12.84 C 10.31 -11.12 O 15.52 -12.44 O 20.35 -16.68 O 10.70 -16.68 O 17.96 -12.44 C 13.10 -12.44 C 11.90 -11.76 C 22.77 -8.28 C 20.35 -12.48 C 17.96 -16.68 C 13.10 -16.68 C 22.77 -9.66 C 20.35 -13.86 C 21.55 -10.36 O 10.70 -13.86 O 15.52 -16.68 C 23.95 -7.58 C 21.55 -11.76 C 19.13 -15.96 C 11.90 -15.96 C 17.96 -13.86 C 13.10 -13.86 C 19.13 -14.55 C 11.90 -14.55 C 15.52 -13.86 C 16.75 -15.96 C 14.32 -15.96 C 16.75 -14.55 C 14.32 -14.55 C 10.70 -12.48 1 21 1 2 21 1 3 22 1 4 34 1 5 34 1 6 29 2 7 23 1 8 24 1 9 25 1 10 11 2 10 26 1 11 34 1 12 16 1 12 21 2 13 17 1 13 22 2 14 23 2 14 30 1 15 24 2 15 31 1 16 18 1 17 27 1 18 22 1 19 28 1 19 34 1 20 30 1 20 31 1 23 27 1 24 28 1 25 27 2 25 32 1 26 28 2 26 33 1 29 32 1 29 33 1 30 32 2 31 33 2', '34 37 C:18 25.17 -8.28 C:26 23.95 -6.18 C:16 22.77 -12.48 C:30 9.33 -12.84 C:30 10.31 -11.12 O 15.52 -12.44 O 20.35 -16.68 O 10.70 -16.68 O 17.96 -12.44 C:132 13.10 -12.44 C:122 11.90 -11.76 C:124 22.77 -8.28 C:123 20.35 -12.48 C:93 17.96 -16.68 C:102 13.10 -16.68 C:27 22.77 -9.66 C:22 20.35 -13.86 C:40 21.55 -10.36 O 10.70 -13.86 O 15.52 -16.68 C:131 23.95 -7.58 C:135 21.55 -11.76 C:163 19.13 -15.96 C:158 11.90 -15.96 C:162 17.96 -13.86 C:109 13.10 -13.86 C:111 19.13 -14.55 C:144 11.90 -14.55 C:182 15.52 -13.86 C:156 16.75 -15.96 C:154 14.32 -15.96 C:103 16.75 -14.55 C:119 14.32 -14.55 C:80 10.70 -12.48 1 21 1 2 21 1 3 22 1 4 34 1 5 34 1 6 29 2 7 23 1 8 24 1 9 25 1 10 11 2 10 26 1 11 34 1 12 16 1 12 21 2 13 17 1 13 22 2 14 23 2 14 30 1 15 24 2 15 31 1 16 18 1 17 27 1 18 22 1 19 28 1 19 34 1 20 30 1 20 31 1 23 27 1 24 28 1 25 27 2 25 32 1 26 28 2 26 33 1 29 32 1 29 33 1 30 32 2 31 33 2', 'C28H30O6', 462.296, 'A', 'ph65_2561_1', 3526, '', '', '1', 47, NULL, NULL),
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