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
(1017, '', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]15[CH2:11][CH2:12][C@H:13]2[CH2:14][C@:8]1([CH2:15][C:16]2=[CH2:17])[C@@H:7](O[C:7001](=O)[c:7002]3[cH:7007][cH:7006][c:7005]([CH3:7501])[cH:7004][cH:7003]3)[CH2:6][C@:5]6([H])[C@@:4]([CH3:19])([CH2:18]O[C:18001]([CH3:18002])=O)[C@H:3](O[C:3001](=O)[c:3002]4[cH:3003][cH:3004][c:3005]([CH3:3501])[cH:3006][cH:3007]4)[CH2:2][CH2:1][C@@:10]56[CH3:20]', '[H][C@@]15CC[C@H]2C[C@]1(CC2=C)[C@@H](OC(=O)c3ccc(C)cc3)C[C@]6([H])[C@@](C)(COC(C)=O)[C@H](OC(=O)c4ccc(C)cc4)CC[C@@]56C', '[H][C@@:52]15[CH2:18][CH2:33][C@H:44]2[CH2:38][C@:47]1([CH2:45][C:154]2=[CH2:104])[C@@H:80](O[C:165](=O)[c:128]3[cH:130][cH:129][c:143]([CH3:22])[cH:129][cH:130]3)[CH2:24][C@:40]6([H])[C@@:41]([CH3:13])([CH2:65]O[C:171]([CH3:20])=O)[C@H:74](O[C:166](=O)[c:128]4[cH:130][cH:129][c:144]([CH3:22])[cH:129][cH:130]4)[CH2:23][CH2:38][C@@:39]56[CH3:18]', '46 51 H 17.39 -9.64 H 16.14 -11.53 C:17 22.41 -7.91 C:18002 14.81 -15.72 C:3501 6.34 -13.44 C:7501 24.79 -15.54 C:19 13.88 -12.44 C:20 16.13 -7.96 O 13.62 -13.58 O 11.25 -9.33 O 18.69 -13.57 C:3004 7.58 -11.37 C:3006 8.77 -13.47 C:7006 22.36 -15.58 C:7004 23.53 -13.46 C:3003 8.82 -10.69 C:3007 10.01 -12.80 C:7007 21.13 -14.91 C:7003 22.30 -12.78 C:12 18.61 -6.52 C:2 13.67 -9.36 C:11 17.39 -7.23 C:1 14.89 -8.65 C:18 16.09 -12.21 C:15 20.20 -9.66 C:6 17.39 -11.50 C:14 19.84 -8.65 O 16.06 -13.62 O 12.43 -11.45 O 19.85 -11.44 C:18001 14.83 -14.32 C:16 21.00 -8.24 C:3001 11.23 -10.73 C:7001 19.88 -12.84 C:3005 7.56 -12.76 C:7005 23.54 -14.86 C:3002 10.03 -11.41 C:7002 21.10 -13.51 C:13 19.84 -7.23 C:3 13.67 -10.76 C:7 18.61 -10.76 C:9 17.39 -8.65 C:5 16.13 -10.76 C:4 14.89 -11.50 C:10 16.13 -9.36 C:8 18.61 -9.36 42 1 -1 43 2 -1 3 32 2 4 31 1 5 35 1 6 36 1 44 7 -2 45 8 -2 9 31 2 10 33 2 11 34 2 12 16 2 12 35 1 13 17 1 13 35 2 14 18 2 14 36 1 15 19 1 15 36 2 16 37 1 17 37 2 18 38 1 19 38 2 20 22 1 20 39 1 21 23 1 21 40 1 22 42 1 23 45 1 24 28 1 44 24 -1 25 32 1 25 46 1 26 41 1 26 43 1 39 27 -2 46 27 -2 28 31 1 29 33 1 40 29 -2 30 34 1 41 30 -1 32 39 1 33 37 1 34 38 1 40 44 1 41 46 1 42 45 1 42 46 1 43 44 1 43 45 1', '46 51 H 17.39 -9.64 H 16.14 -11.53 C 22.41 -7.91 C 14.81 -15.72 C 6.34 -13.44 C 24.79 -15.54 C 13.88 -12.44 C 16.13 -7.96 O 13.62 -13.58 O 11.25 -9.33 O 18.69 -13.57 C 7.58 -11.37 C 8.77 -13.47 C 22.36 -15.58 C 23.53 -13.46 C 8.82 -10.69 C 10.01 -12.80 C 21.13 -14.91 C 22.30 -12.78 C 18.61 -6.52 C 13.67 -9.36 C 17.39 -7.23 C 14.89 -8.65 C 16.09 -12.21 C 20.20 -9.66 C 17.39 -11.50 C 19.84 -8.65 O 16.06 -13.62 O 12.43 -11.45 O 19.85 -11.44 C 14.83 -14.32 C 21.00 -8.24 C 11.23 -10.73 C 19.88 -12.84 C 7.56 -12.76 C 23.54 -14.86 C 10.03 -11.41 C 21.10 -13.51 C 19.84 -7.23 C 13.67 -10.76 C 18.61 -10.76 C 17.39 -8.65 C 16.13 -10.76 C 14.89 -11.50 C 16.13 -9.36 C 18.61 -9.36 42 1 -1 43 2 -1 3 32 2 4 31 1 5 35 1 6 36 1 44 7 -2 45 8 -2 9 31 2 10 33 2 11 34 2 12 16 2 12 35 1 13 17 1 13 35 2 14 18 2 14 36 1 15 19 1 15 36 2 16 37 1 17 37 2 18 38 1 19 38 2 20 22 1 20 39 1 21 23 1 21 40 1 22 42 1 23 45 1 24 28 1 44 24 -1 25 32 1 25 46 1 26 41 1 26 43 1 39 27 -2 46 27 -2 28 31 1 29 33 1 40 29 -2 30 34 1 41 30 -1 32 39 1 33 37 1 34 38 1 40 44 1 41 46 1 42 45 1 42 46 1 43 44 1 43 45 1', '46 51 H 17.39 -9.64 H 16.14 -11.53 C:104 22.41 -7.91 C:20 14.81 -15.72 C:22 6.34 -13.44 C:22 24.79 -15.54 C:13 13.88 -12.44 C:18 16.13 -7.96 O 13.62 -13.58 O 11.25 -9.33 O 18.69 -13.57 C:129 7.58 -11.37 C:129 8.77 -13.47 C:129 22.36 -15.58 C:129 23.53 -13.46 C:130 8.82 -10.69 C:130 10.01 -12.80 C:130 21.13 -14.91 C:130 22.30 -12.78 C:33 18.61 -6.52 C:23 13.67 -9.36 C:18 17.39 -7.23 C:38 14.89 -8.65 C:65 16.09 -12.21 C:45 20.20 -9.66 C:24 17.39 -11.50 C:38 19.84 -8.65 O 16.06 -13.62 O 12.43 -11.45 O 19.85 -11.44 C:171 14.83 -14.32 C:154 21.00 -8.24 C:166 11.23 -10.73 C:165 19.88 -12.84 C:144 7.56 -12.76 C:143 23.54 -14.86 C:128 10.03 -11.41 C:128 21.10 -13.51 C:44 19.84 -7.23 C:74 13.67 -10.76 C:80 18.61 -10.76 C:52 17.39 -8.65 C:40 16.13 -10.76 C:41 14.89 -11.50 C:39 16.13 -9.36 C:47 18.61 -9.36 42 1 -1 43 2 -1 3 32 2 4 31 1 5 35 1 6 36 1 44 7 -2 45 8 -2 9 31 2 10 33 2 11 34 2 12 16 2 12 35 1 13 17 1 13 35 2 14 18 2 14 36 1 15 19 1 15 36 2 16 37 1 17 37 2 18 38 1 19 38 2 20 22 1 20 39 1 21 23 1 21 40 1 22 42 1 23 45 1 24 28 1 44 24 -1 25 32 1 25 46 1 26 41 1 26 43 1 39 27 -2 46 27 -2 28 31 1 29 33 1 40 29 -2 30 34 1 41 30 -1 32 39 1 33 37 1 34 38 1 40 44 1 41 46 1 42 45 1 42 46 1 43 44 1 43 45 1', 'C38H46O6', 598.419, 'C', 'np02_1594_26', 256, '', '', '1', 1, NULL, NULL),
(1018, '', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]15[CH2:11][CH2:12][C@H:13]2[CH2:14][C@:8]1([CH2:15][C:16]2=[CH2:17])[C@@H:7](O[C:7001](=O)[c:7002]3[cH:7005]n[cH:7004][cH:7003]n3)[CH2:6][C@:5]6([H])[C@@:4]([CH3:19])([CH2:18]O[C:18001]([CH3:18002])=O)[C@H:3](O[C:3001](=O)[c:3002]4[cH:3005]n[cH:3004][cH:3003]n4)[CH2:2][CH2:1][C@@:10]56[CH3:20]', '[H][C@@]15CC[C@H]2C[C@]1(CC2=C)[C@@H](OC(=O)c3cnccn3)C[C@]6([H])[C@@](C)(COC(C)=O)[C@H](OC(=O)c4cnccn4)CC[C@@]56C', '[H][C@@:51]15[CH2:18][CH2:33][C@H:43]2[CH2:38][C@:47]1([CH2:45][C:153]2=[CH2:104])[C@@H:82](O[C:163](=O)[c:144]3[cH:145]n[cH:147][cH:146]n3)[CH2:24][C@:40]6([H])[C@@:41]([CH3:13])([CH2:65]O[C:170]([CH3:20])=O)[C@H:76](O[C:163](=O)[c:144]4[cH:145]n[cH:148][cH:146]n4)[CH2:23][CH2:38][C@@:39]56[CH3:18]', '44 49 H 17.43 -9.68 H 16.19 -11.56 C:17 22.45 -7.94 C:18002 14.85 -15.76 C:19 13.93 -12.48 C:20 16.18 -7.99 O 13.67 -13.61 O 11.29 -9.38 O 18.73 -13.60 C:3004 7.59 -12.82 C:7004 23.57 -14.89 C:3003 7.60 -11.41 C:7003 23.57 -13.47 C:3005 10.06 -12.86 C:7005 21.14 -14.91 C:12 18.65 -6.56 C:2 13.72 -9.41 C:11 17.43 -7.27 C:1 14.93 -8.69 C:18 16.14 -12.25 C:15 20.24 -9.70 C:6 17.43 -11.53 C:14 19.88 -8.69 N 8.81 -13.54 N 22.36 -15.60 N 8.86 -10.73 N 22.33 -12.81 O 16.11 -13.65 O 12.48 -11.48 O 19.89 -11.47 C:18001 14.87 -14.35 C:16 21.04 -8.28 C:3001 11.27 -10.77 C:7001 19.90 -12.88 C:3002 10.06 -11.44 C:7002 21.14 -13.55 C:13 19.88 -7.27 C:3 13.72 -10.80 C:7 18.65 -10.80 C:9 17.43 -8.69 C:5 16.18 -10.80 C:4 14.93 -11.53 C:10 16.18 -9.41 C:8 18.65 -9.41 40 1 -1 41 2 -1 3 32 2 4 31 1 42 5 -2 43 6 -2 7 31 2 8 33 2 9 34 2 10 12 1 10 24 2 11 13 2 11 25 1 12 26 2 13 27 1 14 24 1 14 35 2 15 25 2 15 36 1 16 18 1 16 37 1 17 19 1 17 38 1 18 40 1 19 43 1 20 28 1 42 20 -1 21 32 1 21 44 1 22 39 1 22 41 1 37 23 -2 44 23 -2 26 35 1 27 36 2 28 31 1 29 33 1 38 29 -2 30 34 1 39 30 -1 32 37 1 33 35 1 34 36 1 38 42 1 39 44 1 40 43 1 40 44 1 41 42 1 41 43 1', '44 49 H 17.43 -9.68 H 16.19 -11.56 C 22.45 -7.94 C 14.85 -15.76 C 13.93 -12.48 C 16.18 -7.99 O 13.67 -13.61 O 11.29 -9.38 O 18.73 -13.60 C 7.59 -12.82 C 23.57 -14.89 C 7.60 -11.41 C 23.57 -13.47 C 10.06 -12.86 C 21.14 -14.91 C 18.65 -6.56 C 13.72 -9.41 C 17.43 -7.27 C 14.93 -8.69 C 16.14 -12.25 C 20.24 -9.70 C 17.43 -11.53 C 19.88 -8.69 N 8.81 -13.54 N 22.36 -15.60 N 8.86 -10.73 N 22.33 -12.81 O 16.11 -13.65 O 12.48 -11.48 O 19.89 -11.47 C 14.87 -14.35 C 21.04 -8.28 C 11.27 -10.77 C 19.90 -12.88 C 10.06 -11.44 C 21.14 -13.55 C 19.88 -7.27 C 13.72 -10.80 C 18.65 -10.80 C 17.43 -8.69 C 16.18 -10.80 C 14.93 -11.53 C 16.18 -9.41 C 18.65 -9.41 40 1 -1 41 2 -1 3 32 2 4 31 1 42 5 -2 43 6 -2 7 31 2 8 33 2 9 34 2 10 12 1 10 24 2 11 13 2 11 25 1 12 26 2 13 27 1 14 24 1 14 35 2 15 25 2 15 36 1 16 18 1 16 37 1 17 19 1 17 38 1 18 40 1 19 43 1 20 28 1 42 20 -1 21 32 1 21 44 1 22 39 1 22 41 1 37 23 -2 44 23 -2 26 35 1 27 36 2 28 31 1 29 33 1 38 29 -2 30 34 1 39 30 -1 32 37 1 33 35 1 34 36 1 38 42 1 39 44 1 40 43 1 40 44 1 41 42 1 41 43 1', '44 49 H 17.43 -9.68 H 16.19 -11.56 C:104 22.45 -7.94 C:20 14.85 -15.76 C:13 13.93 -12.48 C:18 16.18 -7.99 O 13.67 -13.61 O 11.29 -9.38 O 18.73 -13.60 C:148 7.59 -12.82 C:147 23.57 -14.89 C:146 7.60 -11.41 C:146 23.57 -13.47 C:145 10.06 -12.86 C:145 21.14 -14.91 C:33 18.65 -6.56 C:23 13.72 -9.41 C:18 17.43 -7.27 C:38 14.93 -8.69 C:65 16.14 -12.25 C:45 20.24 -9.70 C:24 17.43 -11.53 C:38 19.88 -8.69 N 8.81 -13.54 N 22.36 -15.60 N 8.86 -10.73 N 22.33 -12.81 O 16.11 -13.65 O 12.48 -11.48 O 19.89 -11.47 C:170 14.87 -14.35 C:153 21.04 -8.28 C:163 11.27 -10.77 C:163 19.90 -12.88 C:144 10.06 -11.44 C:144 21.14 -13.55 C:43 19.88 -7.27 C:76 13.72 -10.80 C:82 18.65 -10.80 C:51 17.43 -8.69 C:40 16.18 -10.80 C:41 14.93 -11.53 C:39 16.18 -9.41 C:47 18.65 -9.41 40 1 -1 41 2 -1 3 32 2 4 31 1 42 5 -2 43 6 -2 7 31 2 8 33 2 9 34 2 10 12 1 10 24 2 11 13 2 11 25 1 12 26 2 13 27 1 14 24 1 14 35 2 15 25 2 15 36 1 16 18 1 16 37 1 17 19 1 17 38 1 18 40 1 19 43 1 20 28 1 42 20 -1 21 32 1 21 44 1 22 39 1 22 41 1 37 23 -2 44 23 -2 26 35 1 27 36 2 28 31 1 29 33 1 38 29 -2 30 34 1 39 30 -1 32 37 1 33 35 1 34 36 1 38 42 1 39 44 1 40 43 1 40 44 1 41 42 1 41 43 1', 'C32H38N4O6', 574.382, 'C', 'np02_1594_27', 256, '', '', '1', 1, NULL, NULL),
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(1033, '', '16a,17-Dihydroxy-ent-kauran-19-oic acid', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][CH2:7][C@@:8]14[CH2:14][C@H:13]([CH2:12][CH2:11][C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]3([CH3:18])[C:19](=O)O)[C@@:16](O)([CH2:17]O)[CH2:15]4', '[H][C@]23CC[C@@]14C[C@H](CC[C@@]1([H])[C@]2(C)CCC[C@@]3(C)C(=O)O)[C@@](O)(CO)C4', '[H][C@:57]23[CH2:23][CH2:43][C@@:45]14[CH2:38][C@H:46]([CH2:27][CH2:19][C@@:56]1([H])[C@:40]2([CH3:16])[CH2:41][CH2:20][CH2:39][C@@:44]3([CH3:29])[C:180](=O)O)[C@@:82](O)([CH2:67]O)[CH2:54]4', '26 29 H 13.81 -12.73 H 15.03 -10.60 C:18 13.53 -13.49 C:20 13.79 -8.92 O 11.87 -14.76 O 20.96 -9.89 O 10.20 -13.00 O 19.29 -7.98 C:2 11.34 -10.32 C:17 20.00 -8.87 C:12 16.25 -7.48 C:3 11.34 -11.72 C:1 12.56 -9.61 C:11 15.03 -8.20 C:6 15.03 -12.45 C:7 16.25 -11.72 C:14 17.45 -9.61 C:15 17.81 -10.62 C:19 11.54 -13.40 C:13 17.45 -8.20 C:5 13.79 -11.72 C:9 15.03 -9.61 C:4 12.56 -12.45 C:10 13.79 -10.32 C:16 18.61 -9.20 C:8 16.25 -10.32 21 1 -1 22 2 -1 23 3 -1 24 4 -2 5 19 2 6 10 1 7 19 1 25 8 -2 9 12 1 9 13 1 25 10 -1 11 14 1 11 20 1 12 23 1 13 24 1 14 22 1 15 16 1 15 21 1 16 26 1 20 17 -2 26 17 -2 18 25 1 18 26 1 23 19 -2 20 25 1 21 23 1 21 24 1 22 24 1 22 26 1', '26 29 H 13.81 -12.73 H 15.03 -10.60 C 13.53 -13.49 C 13.79 -8.92 O 11.87 -14.76 O 20.96 -9.89 O 10.20 -13.00 O 19.29 -7.98 C 11.34 -10.32 C 20.00 -8.87 C 16.25 -7.48 C 11.34 -11.72 C 12.56 -9.61 C 15.03 -8.20 C 15.03 -12.45 C 16.25 -11.72 C 17.45 -9.61 C 17.81 -10.62 C 11.54 -13.40 C 17.45 -8.20 C 13.79 -11.72 C 15.03 -9.61 C 12.56 -12.45 C 13.79 -10.32 C 18.61 -9.20 C 16.25 -10.32 21 1 -1 22 2 -1 23 3 -1 24 4 -2 5 19 2 6 10 1 7 19 1 25 8 -2 9 12 1 9 13 1 25 10 -1 11 14 1 11 20 1 12 23 1 13 24 1 14 22 1 15 16 1 15 21 1 16 26 1 20 17 -2 26 17 -2 18 25 1 18 26 1 23 19 -2 20 25 1 21 23 1 21 24 1 22 24 1 22 26 1', '26 29 H 13.81 -12.73 H 15.03 -10.60 C:29 13.53 -13.49 C:16 13.79 -8.92 O 11.87 -14.76 O 20.96 -9.89 O 10.20 -13.00 O 19.29 -7.98 C:20 11.34 -10.32 C:67 20.00 -8.87 C:27 16.25 -7.48 C:39 11.34 -11.72 C:41 12.56 -9.61 C:19 15.03 -8.20 C:23 15.03 -12.45 C:43 16.25 -11.72 C:38 17.45 -9.61 C:54 17.81 -10.62 C:180 11.54 -13.40 C:46 17.45 -8.20 C:57 13.79 -11.72 C:56 15.03 -9.61 C:44 12.56 -12.45 C:40 13.79 -10.32 C:82 18.61 -9.20 C:45 16.25 -10.32 21 1 -1 22 2 -1 23 3 -1 24 4 -2 5 19 2 6 10 1 7 19 1 25 8 -2 9 12 1 9 13 1 25 10 -1 11 14 1 11 20 1 12 23 1 13 24 1 14 22 1 15 16 1 15 21 1 16 26 1 20 17 -2 26 17 -2 18 25 1 18 26 1 23 19 -2 20 25 1 21 23 1 21 24 1 22 24 1 22 26 1', 'C20H32O4', 336.227, 'C', 'np96_635_7', 2470, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(1050, '3a,7a-Diacetate', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[CH2:6][C@@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][CH2:2][C@@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:18])[CH3:19])[C@@H:16]([CH3:17])[C:15]4=O', '[H][C@]23C[C@@H](OC(C)=O)[C@@]14C[C@H](C[C@H](O)[C@@]1([H])[C@]2(C)CC[C@@H](OC(C)=O)[C@@]3(C)C)[C@@H](C)C4=O', '[H][C@:51]23[CH2:24][C@@H:74](O[C:9999]([CH3:9999])=O)[C@@:55]14[CH2:30][C@H:34]([CH2:34][C@H:65](O)[C@@:63]1([H])[C@:38]2([CH3:18])[CH2:37][CH2:23][C@@H:80](O[C:9999]([CH3:9999])=O)[C@@:38]3([CH3:28])[CH3:17])[C@@H:50]([CH3:11])[C:218]4=O', '32 35 H 15.55 -12.91 H 16.76 -10.75 C:3002 9.43 -12.54 C:7002 20.45 -14.64 C:17 21.72 -9.02 C:19 13.29 -13.57 C:18 15.27 -13.66 C:20 15.53 -9.07 O 10.71 -10.45 O 18.02 -14.67 O 20.14 -12.07 O 15.55 -7.66 C:2 13.09 -10.47 C:1 14.30 -9.77 C:12 17.98 -7.64 C:6 16.76 -12.62 C:14 19.19 -9.77 O 11.88 -12.57 O 19.20 -12.57 C:3001 10.67 -11.86 C:7001 19.22 -13.96 C:15 19.55 -10.77 C:16 20.36 -9.35 C:11 16.76 -8.36 C:13 19.19 -8.36 C:3 13.09 -11.89 C:7 17.98 -11.89 C:4 14.30 -12.62 C:5 15.53 -11.89 C:10 15.53 -10.47 C:9 16.76 -9.77 C:8 17.98 -10.47 29 1 -1 31 2 -1 3 20 1 4 21 1 23 5 -1 28 6 -2 28 7 -1 30 8 -2 9 20 2 10 21 2 11 22 2 24 12 -1 13 14 1 13 26 1 14 30 1 15 24 1 15 25 1 16 27 1 16 29 1 25 17 -2 32 17 -2 18 20 1 26 18 -2 19 21 1 27 19 -2 22 23 1 22 32 1 23 25 1 24 31 1 26 28 1 27 32 1 28 29 1 29 30 1 30 31 1 31 32 1', '32 35 H 15.55 -12.91 H 16.76 -10.75 C 9.43 -12.54 C 20.45 -14.64 C 21.72 -9.02 C 13.29 -13.57 C 15.27 -13.66 C 15.53 -9.07 O 10.71 -10.45 O 18.02 -14.67 O 20.14 -12.07 O 15.55 -7.66 C 13.09 -10.47 C 14.30 -9.77 C 17.98 -7.64 C 16.76 -12.62 C 19.19 -9.77 O 11.88 -12.57 O 19.20 -12.57 C 10.67 -11.86 C 19.22 -13.96 C 19.55 -10.77 C 20.36 -9.35 C 16.76 -8.36 C 19.19 -8.36 C 13.09 -11.89 C 17.98 -11.89 C 14.30 -12.62 C 15.53 -11.89 C 15.53 -10.47 C 16.76 -9.77 C 17.98 -10.47 29 1 -1 31 2 -1 3 20 1 4 21 1 23 5 -1 28 6 -2 28 7 -1 30 8 -2 9 20 2 10 21 2 11 22 2 24 12 -1 13 14 1 13 26 1 14 30 1 15 24 1 15 25 1 16 27 1 16 29 1 25 17 -2 32 17 -2 18 20 1 26 18 -2 19 21 1 27 19 -2 22 23 1 22 32 1 23 25 1 24 31 1 26 28 1 27 32 1 28 29 1 29 30 1 30 31 1 31 32 1', '32 35 H 15.55 -12.91 H 16.76 -10.75 C 9.43 -12.54 C 20.45 -14.64 C:11 21.72 -9.02 C:17 13.29 -13.57 C:28 15.27 -13.66 C:18 15.53 -9.07 O 10.71 -10.45 O 18.02 -14.67 O 20.14 -12.07 O 15.55 -7.66 C:23 13.09 -10.47 C:37 14.30 -9.77 C:34 17.98 -7.64 C:24 16.76 -12.62 C:30 19.19 -9.77 O 11.88 -12.57 O 19.20 -12.57 C 10.67 -11.86 C 19.22 -13.96 C:218 19.55 -10.77 C:50 20.36 -9.35 C:65 16.76 -8.36 C:34 19.19 -8.36 C:80 13.09 -11.89 C:74 17.98 -11.89 C:38 14.30 -12.62 C:51 15.53 -11.89 C:38 15.53 -10.47 C:63 16.76 -9.77 C:55 17.98 -10.47 29 1 -1 31 2 -1 3 20 1 4 21 1 23 5 -1 28 6 -2 28 7 -1 30 8 -2 9 20 2 10 21 2 11 22 2 24 12 -1 13 14 1 13 26 1 14 30 1 15 24 1 15 25 1 16 27 1 16 29 1 25 17 -2 32 17 -2 18 20 1 26 18 -2 19 21 1 27 19 -2 22 23 1 22 32 1 23 25 1 24 31 1 26 28 1 27 32 1 28 29 1 29 30 1 30 31 1 31 32 1', 'C24H36O6', 420.269, '', 'np96_952_11', 651, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(1065, 'Glabcensin D', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[C@@H:11](O[C:11001]([CH3:11002])=O)[CH2:12][C@H:13]2[CH2:14][C@:8]1([C:15](=O)[C:16]2=[CH2:17])[C@@H:7](O)[C@H:6](O[C:6001]([CH3:6002])=O)[C@:5]4([H])[C@:4]([CH3:18])([CH3:19])[C@@H:3](O)[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13[C@@H](OC(C)=O)C[C@H]2C[C@]1(C(=O)C2=C)[C@@H](O)[C@H](OC(C)=O)[C@]4([H])[C@](C)(C)[C@@H](O)[C@@H](OC(C)=O)C[C@@]34C', '[H][C@@:55]13[C@@H:68](O[C:169]([CH3:21])=O)[CH2:37][C@H:37]2[CH2:35][C@:50]1([C:213](=O)[C:150]2=[CH2:114])[C@@H:73](O)[C@H:72](O[C:170]([CH3:21])=O)[C@:41]4([H])[C@:40]([CH3:29])([CH3:24])[C@@H:77](O)[C@@H:68](O[C:171]([CH3:21])=O)[CH2:40][C@@:40]34[CH3:21]', '37 40 H 16.15 -11.07 H 14.94 -13.21 C:17 21.12 -9.35 C:2002 10.04 -8.02 C:11002 13.73 -5.89 C:6002 14.98 -16.44 C:19 12.67 -13.87 C:18 14.66 -13.96 C:20 14.92 -9.40 O 12.47 -8.01 O 16.15 -5.88 O 13.73 -14.36 O 19.51 -12.37 O 11.25 -12.88 O 18.60 -12.88 C:12 17.36 -7.97 C:14 18.58 -10.08 C:1 13.69 -10.08 O 11.26 -10.10 O 14.95 -7.98 O 16.17 -14.32 C:2001 11.26 -8.71 C:11001 14.95 -6.57 C:6001 14.96 -15.04 C:16 19.74 -9.68 C:15 18.94 -11.09 C:13 18.58 -8.68 C:2 12.47 -10.79 C:11 16.15 -8.68 C:3 12.47 -12.19 C:7 17.36 -12.19 C:6 16.15 -12.93 C:4 13.69 -12.93 C:9 16.15 -10.08 C:5 14.92 -12.19 C:10 14.92 -10.79 C:8 17.36 -10.79 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 30 14 -1 31 15 -1 16 27 1 16 29 1 27 17 -2 37 17 -2 18 28 1 18 36 1 19 22 1 28 19 -1 20 23 1 29 20 -1 21 24 1 32 21 -2 25 26 1 25 27 1 26 37 1 28 30 1 29 34 1 30 33 1 31 32 1 31 37 1 32 35 1 33 35 1 34 36 1 34 37 1 35 36 1', '37 40 H 16.15 -11.07 H 14.94 -13.21 C 21.12 -9.35 C 10.04 -8.02 C 13.73 -5.89 C 14.98 -16.44 C 12.67 -13.87 C 14.66 -13.96 C 14.92 -9.40 O 12.47 -8.01 O 16.15 -5.88 O 13.73 -14.36 O 19.51 -12.37 O 11.25 -12.88 O 18.60 -12.88 C 17.36 -7.97 C 18.58 -10.08 C 13.69 -10.08 O 11.26 -10.10 O 14.95 -7.98 O 16.17 -14.32 C 11.26 -8.71 C 14.95 -6.57 C 14.96 -15.04 C 19.74 -9.68 C 18.94 -11.09 C 18.58 -8.68 C 12.47 -10.79 C 16.15 -8.68 C 12.47 -12.19 C 17.36 -12.19 C 16.15 -12.93 C 13.69 -12.93 C 16.15 -10.08 C 14.92 -12.19 C 14.92 -10.79 C 17.36 -10.79 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 30 14 -1 31 15 -1 16 27 1 16 29 1 27 17 -2 37 17 -2 18 28 1 18 36 1 19 22 1 28 19 -1 20 23 1 29 20 -1 21 24 1 32 21 -2 25 26 1 25 27 1 26 37 1 28 30 1 29 34 1 30 33 1 31 32 1 31 37 1 32 35 1 33 35 1 34 36 1 34 37 1 35 36 1', '37 40 H 16.15 -11.07 H 14.94 -13.21 C:114 21.12 -9.35 C:21 10.04 -8.02 C:21 13.73 -5.89 C:21 14.98 -16.44 C:24 12.67 -13.87 C:29 14.66 -13.96 C:21 14.92 -9.40 O 12.47 -8.01 O 16.15 -5.88 O 13.73 -14.36 O 19.51 -12.37 O 11.25 -12.88 O 18.60 -12.88 C:37 17.36 -7.97 C:35 18.58 -10.08 C:40 13.69 -10.08 O 11.26 -10.10 O 14.95 -7.98 O 16.17 -14.32 C:171 11.26 -8.71 C:169 14.95 -6.57 C:170 14.96 -15.04 C:150 19.74 -9.68 C:213 18.94 -11.09 C:37 18.58 -8.68 C:68 12.47 -10.79 C:68 16.15 -8.68 C:77 12.47 -12.19 C:73 17.36 -12.19 C:72 16.15 -12.93 C:40 13.69 -12.93 C:55 16.15 -10.08 C:41 14.92 -12.19 C:40 14.92 -10.79 C:50 17.36 -10.79 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 30 14 -1 31 15 -1 16 27 1 16 29 1 27 17 -2 37 17 -2 18 28 1 18 36 1 19 22 1 28 19 -1 20 23 1 29 20 -1 21 24 1 32 21 -2 25 26 1 25 27 1 26 37 1 28 30 1 29 34 1 30 33 1 31 32 1 31 37 1 32 35 1 33 35 1 34 36 1 34 37 1 35 36 1', 'C26H36O9', 492.289, 'P', 'np97_1075_4', 2584, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
(1066, 'Glabcensin E', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]23[C@@H:6](O[C:6001]([CH3:6002])=O)[C@H:7](O[C:7001]([CH3:7002])=O)[C@@:8]14[CH2:14][C@H:13]([CH2:12][C@H:11](O)[C@@:9]1([H])[C@:10]2([CH3:20])[CH2:1][C@H:2](O)[C@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]3([CH3:18])[CH3:19])[C:16](=[CH2:17])[C:15]4=O', '[H][C@]23[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]14C[C@H](C[C@H](O)[C@@]1([H])[C@]2(C)C[C@H](O)[C@H](OC(C)=O)[C@@]3(C)C)C(=C)C4=O', '[H][C@:43]23[C@@H:70](O[C:170]([CH3:21])=O)[C@H:72](O[C:170]([CH3:21])=O)[C@@:49]14[CH2:36][C@H:38]([CH2:41][C@H:65](O)[C@@:59]1([H])[C@:39]2([CH3:21])[CH2:45][C@H:64](O)[C@H:82](O[C:171]([CH3:21])=O)[C@@:38]3([CH3:28])[CH3:24])[C:151](=[CH2:111])[C:205]4=O', '37 40 H 15.55 -12.15 H 16.77 -10.01 C:17 21.74 -8.29 C:3002 9.45 -11.80 C:6002 15.59 -15.38 C:7002 20.46 -13.90 C:19 13.28 -12.81 C:18 15.27 -12.90 C:20 15.53 -8.34 O 10.68 -9.71 O 14.34 -13.30 O 18.04 -13.94 O 20.13 -11.31 O 11.87 -9.04 O 15.56 -6.91 C:12 17.98 -6.90 C:1 14.30 -9.02 C:14 19.20 -9.02 O 11.86 -11.82 O 16.79 -13.26 O 19.22 -11.82 C:3001 10.66 -11.11 C:6001 15.57 -13.98 C:7001 19.24 -13.22 C:16 20.36 -8.62 C:15 19.56 -10.03 C:13 19.20 -7.62 C:2 13.08 -9.73 C:11 16.77 -7.62 C:3 13.08 -11.13 C:6 16.77 -11.87 C:7 17.98 -11.13 C:4 14.30 -11.87 C:5 15.53 -11.13 C:9 16.77 -9.02 C:10 15.53 -9.73 C:8 17.98 -9.73 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 29 15 -1 16 27 1 16 29 1 17 28 1 17 36 1 27 18 -2 37 18 -2 19 22 1 30 19 -1 20 23 1 31 20 -2 21 24 1 32 21 -1 25 26 1 25 27 1 26 37 1 28 30 1 29 35 1 30 33 1 31 32 1 31 34 1 32 37 1 33 34 1 34 36 1 35 36 1 35 37 1', '37 40 H 15.55 -12.15 H 16.77 -10.01 C 21.74 -8.29 C 9.45 -11.80 C 15.59 -15.38 C 20.46 -13.90 C 13.28 -12.81 C 15.27 -12.90 C 15.53 -8.34 O 10.68 -9.71 O 14.34 -13.30 O 18.04 -13.94 O 20.13 -11.31 O 11.87 -9.04 O 15.56 -6.91 C 17.98 -6.90 C 14.30 -9.02 C 19.20 -9.02 O 11.86 -11.82 O 16.79 -13.26 O 19.22 -11.82 C 10.66 -11.11 C 15.57 -13.98 C 19.24 -13.22 C 20.36 -8.62 C 19.56 -10.03 C 19.20 -7.62 C 13.08 -9.73 C 16.77 -7.62 C 13.08 -11.13 C 16.77 -11.87 C 17.98 -11.13 C 14.30 -11.87 C 15.53 -11.13 C 16.77 -9.02 C 15.53 -9.73 C 17.98 -9.73 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 29 15 -1 16 27 1 16 29 1 17 28 1 17 36 1 27 18 -2 37 18 -2 19 22 1 30 19 -1 20 23 1 31 20 -2 21 24 1 32 21 -1 25 26 1 25 27 1 26 37 1 28 30 1 29 35 1 30 33 1 31 32 1 31 34 1 32 37 1 33 34 1 34 36 1 35 36 1 35 37 1', '37 40 H 15.55 -12.15 H 16.77 -10.01 C:111 21.74 -8.29 C:21 9.45 -11.80 C:21 15.59 -15.38 C:21 20.46 -13.90 C:24 13.28 -12.81 C:28 15.27 -12.90 C:21 15.53 -8.34 O 10.68 -9.71 O 14.34 -13.30 O 18.04 -13.94 O 20.13 -11.31 O 11.87 -9.04 O 15.56 -6.91 C:41 17.98 -6.90 C:45 14.30 -9.02 C:36 19.20 -9.02 O 11.86 -11.82 O 16.79 -13.26 O 19.22 -11.82 C:171 10.66 -11.11 C:170 15.57 -13.98 C:170 19.24 -13.22 C:151 20.36 -8.62 C:205 19.56 -10.03 C:38 19.20 -7.62 C:64 13.08 -9.73 C:65 16.77 -7.62 C:82 13.08 -11.13 C:70 16.77 -11.87 C:72 17.98 -11.13 C:38 14.30 -11.87 C:43 15.53 -11.13 C:59 16.77 -9.02 C:39 15.53 -9.73 C:49 17.98 -9.73 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 29 15 -1 16 27 1 16 29 1 17 28 1 17 36 1 27 18 -2 37 18 -2 19 22 1 30 19 -1 20 23 1 31 20 -2 21 24 1 32 21 -1 25 26 1 25 27 1 26 37 1 28 30 1 29 35 1 30 33 1 31 32 1 31 34 1 32 37 1 33 34 1 34 36 1 35 36 1 35 37 1', 'C26H36O9', 492.289, 'P', 'np97_1075_5', 2584, '', '', '1', 1, NULL, NULL),
(1067, 'Glabcensin F', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[C@@H:11](O)[CH2:12][C@H:13]2[CH2:14][C@:8]1([C:15](=O)[C:16]2=[CH2:17])[C@@H:7](O[C:7001]([CH3:7002])=O)[C@H:6](O[C:6001]([CH3:6002])=O)[C@:5]4([H])[C@:4]([CH3:18])([CH3:19])[C@@H:3](O)[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13[C@@H](O)C[C@H]2C[C@]1(C(=O)C2=C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]4([H])[C@](C)(C)[C@@H](O)[C@@H](OC(C)=O)C[C@@]34C', '[H][C@@:59]13[C@@H:65](O)[CH2:40][C@H:37]2[CH2:36][C@:49]1([C:205](=O)[C:151]2=[CH2:111])[C@@H:72](O[C:170]([CH3:21])=O)[C@H:71](O[C:170]([CH3:21])=O)[C@:42]4([H])[C@:39]([CH3:29])([CH3:24])[C@@H:77](O)[C@@H:71](O[C:171]([CH3:21])=O)[CH2:41][C@@:40]34[CH3:21]', '37 40 H 16.14 -10.01 H 14.92 -12.15 C:17 21.11 -8.29 C:2002 10.02 -6.94 C:6002 14.96 -15.37 C:7002 19.83 -13.90 C:19 12.66 -12.81 C:18 14.64 -12.90 C:20 14.90 -8.34 O 12.45 -6.94 O 13.71 -13.30 O 17.41 -13.94 O 19.50 -11.31 O 14.93 -6.91 O 11.24 -11.82 C:12 17.35 -6.90 C:14 18.57 -9.02 C:1 13.67 -9.02 O 11.25 -9.04 O 16.16 -13.26 O 18.59 -11.82 C:2001 11.24 -7.64 C:6001 14.94 -13.97 C:7001 18.61 -13.22 C:16 19.73 -8.62 C:15 18.93 -10.03 C:13 18.57 -7.62 C:11 16.14 -7.62 C:2 12.46 -9.73 C:3 12.46 -11.13 C:6 16.14 -11.87 C:7 17.35 -11.13 C:4 13.67 -11.87 C:9 16.14 -9.02 C:5 14.90 -11.13 C:10 14.90 -9.73 C:8 17.35 -9.73 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 30 15 -1 16 27 1 16 28 1 27 17 -2 37 17 -2 18 29 1 18 36 1 19 22 1 29 19 -1 20 23 1 31 20 -2 21 24 1 32 21 -1 25 26 1 25 27 1 26 37 1 28 34 1 29 30 1 30 33 1 31 32 1 31 35 1 32 37 1 33 35 1 34 36 1 34 37 1 35 36 1', '37 40 H 16.14 -10.01 H 14.92 -12.15 C 21.11 -8.29 C 10.02 -6.94 C 14.96 -15.37 C 19.83 -13.90 C 12.66 -12.81 C 14.64 -12.90 C 14.90 -8.34 O 12.45 -6.94 O 13.71 -13.30 O 17.41 -13.94 O 19.50 -11.31 O 14.93 -6.91 O 11.24 -11.82 C 17.35 -6.90 C 18.57 -9.02 C 13.67 -9.02 O 11.25 -9.04 O 16.16 -13.26 O 18.59 -11.82 C 11.24 -7.64 C 14.94 -13.97 C 18.61 -13.22 C 19.73 -8.62 C 18.93 -10.03 C 18.57 -7.62 C 16.14 -7.62 C 12.46 -9.73 C 12.46 -11.13 C 16.14 -11.87 C 17.35 -11.13 C 13.67 -11.87 C 16.14 -9.02 C 14.90 -11.13 C 14.90 -9.73 C 17.35 -9.73 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 30 15 -1 16 27 1 16 28 1 27 17 -2 37 17 -2 18 29 1 18 36 1 19 22 1 29 19 -1 20 23 1 31 20 -2 21 24 1 32 21 -1 25 26 1 25 27 1 26 37 1 28 34 1 29 30 1 30 33 1 31 32 1 31 35 1 32 37 1 33 35 1 34 36 1 34 37 1 35 36 1', '37 40 H 16.14 -10.01 H 14.92 -12.15 C:111 21.11 -8.29 C:21 10.02 -6.94 C:21 14.96 -15.37 C:21 19.83 -13.90 C:24 12.66 -12.81 C:29 14.64 -12.90 C:21 14.90 -8.34 O 12.45 -6.94 O 13.71 -13.30 O 17.41 -13.94 O 19.50 -11.31 O 14.93 -6.91 O 11.24 -11.82 C:40 17.35 -6.90 C:36 18.57 -9.02 C:41 13.67 -9.02 O 11.25 -9.04 O 16.16 -13.26 O 18.59 -11.82 C:171 11.24 -7.64 C:170 14.94 -13.97 C:170 18.61 -13.22 C:151 19.73 -8.62 C:205 18.93 -10.03 C:37 18.57 -7.62 C:65 16.14 -7.62 C:71 12.46 -9.73 C:77 12.46 -11.13 C:71 16.14 -11.87 C:72 17.35 -11.13 C:39 13.67 -11.87 C:59 16.14 -9.02 C:42 14.90 -11.13 C:40 14.90 -9.73 C:49 17.35 -9.73 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -2 33 8 -1 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 30 15 -1 16 27 1 16 28 1 27 17 -2 37 17 -2 18 29 1 18 36 1 19 22 1 29 19 -1 20 23 1 31 20 -2 21 24 1 32 21 -1 25 26 1 25 27 1 26 37 1 28 34 1 29 30 1 30 33 1 31 32 1 31 35 1 32 37 1 33 35 1 34 36 1 34 37 1 35 36 1', 'C26H36O9', 492.289, 'P', 'np97_1075_6', 2584, '', '', '1', 1, NULL, NULL),
(1068, 'Glabcensin G', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[C@@H:11](O)[CH2:12][C@H:13]2[CH2:14][C@:8]1([C:15](=O)[C:16]2=[CH2:17])[C@@H:7](O[C:7001]([CH3:7002])=O)[C@H:6](O)[C@:5]4([H])[C@@:4]([CH3:19])([CH3:18])[C@@H:3](O[C:3001]([CH3:3002])=O)[C@@H:2](O[C:2001]([CH3:2002])=O)[CH2:1][C@@:10]34[CH3:20]', '[H][C@@]13[C@@H](O)C[C@H]2C[C@]1(C(=O)C2=C)[C@@H](OC(C)=O)[C@H](O)[C@]4([H])[C@@](C)(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@]34C', '[H][C@@:60]13[C@@H:63](O)[CH2:41][C@H:38]2[CH2:37][C@:49]1([C:206](=O)[C:152]2=[CH2:111])[C@@H:76](O[C:170]([CH3:21])=O)[C@H:69](O)[C@:44]4([H])[C@@:39]([CH3:24])([CH3:28])[C@@H:78](O[C:170]([CH3:21])=O)[C@@H:68](O[C:171]([CH3:22])=O)[CH2:41][C@@:40]34[CH3:21]', '37 40 H 16.76 -10.74 H 15.54 -12.88 C:17 21.73 -9.02 C:2002 10.64 -7.67 C:3002 9.43 -12.53 C:7002 20.45 -14.63 C:18 15.26 -13.63 C:19 13.28 -13.54 C:20 15.52 -9.07 O 13.07 -7.67 O 10.66 -10.44 O 18.03 -14.67 O 20.12 -12.04 O 15.55 -7.64 O 16.78 -13.99 C:12 17.97 -7.63 C:14 19.19 -9.75 C:1 14.29 -9.75 O 11.87 -9.77 O 11.86 -12.55 O 19.21 -12.55 C:2001 11.86 -8.37 C:3001 10.65 -11.84 C:7001 19.23 -13.95 C:16 20.35 -9.35 C:15 19.55 -10.76 C:13 19.19 -8.35 C:11 16.76 -8.35 C:2 13.08 -10.46 C:6 16.76 -12.60 C:3 13.08 -11.86 C:7 17.97 -11.86 C:4 14.29 -12.60 C:9 16.76 -9.75 C:5 15.52 -11.86 C:10 15.52 -10.46 C:8 17.97 -10.46 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -1 33 8 -2 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 30 15 -2 16 27 1 16 28 1 27 17 -2 37 17 -2 18 29 1 18 36 1 19 22 1 29 19 -1 20 23 1 31 20 -1 21 24 1 32 21 -1 25 26 1 25 27 1 26 37 1 28 34 1 29 31 1 30 32 1 30 35 1 31 33 1 32 37 1 33 35 1 34 36 1 34 37 1 35 36 1', '37 40 H 16.76 -10.74 H 15.54 -12.88 C 21.73 -9.02 C 10.64 -7.67 C 9.43 -12.53 C 20.45 -14.63 C 15.26 -13.63 C 13.28 -13.54 C 15.52 -9.07 O 13.07 -7.67 O 10.66 -10.44 O 18.03 -14.67 O 20.12 -12.04 O 15.55 -7.64 O 16.78 -13.99 C 17.97 -7.63 C 19.19 -9.75 C 14.29 -9.75 O 11.87 -9.77 O 11.86 -12.55 O 19.21 -12.55 C 11.86 -8.37 C 10.65 -11.84 C 19.23 -13.95 C 20.35 -9.35 C 19.55 -10.76 C 19.19 -8.35 C 16.76 -8.35 C 13.08 -10.46 C 16.76 -12.60 C 13.08 -11.86 C 17.97 -11.86 C 14.29 -12.60 C 16.76 -9.75 C 15.52 -11.86 C 15.52 -10.46 C 17.97 -10.46 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -1 33 8 -2 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 30 15 -2 16 27 1 16 28 1 27 17 -2 37 17 -2 18 29 1 18 36 1 19 22 1 29 19 -1 20 23 1 31 20 -1 21 24 1 32 21 -1 25 26 1 25 27 1 26 37 1 28 34 1 29 31 1 30 32 1 30 35 1 31 33 1 32 37 1 33 35 1 34 36 1 34 37 1 35 36 1', '37 40 H 16.76 -10.74 H 15.54 -12.88 C:111 21.73 -9.02 C:22 10.64 -7.67 C:21 9.43 -12.53 C:21 20.45 -14.63 C:28 15.26 -13.63 C:24 13.28 -13.54 C:21 15.52 -9.07 O 13.07 -7.67 O 10.66 -10.44 O 18.03 -14.67 O 20.12 -12.04 O 15.55 -7.64 O 16.78 -13.99 C:41 17.97 -7.63 C:37 19.19 -9.75 C:41 14.29 -9.75 O 11.87 -9.77 O 11.86 -12.55 O 19.21 -12.55 C:171 11.86 -8.37 C:170 10.65 -11.84 C:170 19.23 -13.95 C:152 20.35 -9.35 C:206 19.55 -10.76 C:38 19.19 -8.35 C:63 16.76 -8.35 C:68 13.08 -10.46 C:69 16.76 -12.60 C:78 13.08 -11.86 C:76 17.97 -11.86 C:39 14.29 -12.60 C:60 16.76 -9.75 C:44 15.52 -11.86 C:40 15.52 -10.46 C:49 17.97 -10.46 34 1 -1 35 2 -1 3 25 2 4 22 1 5 23 1 6 24 1 33 7 -1 33 8 -2 36 9 -2 10 22 2 11 23 2 12 24 2 13 26 2 28 14 -1 30 15 -2 16 27 1 16 28 1 27 17 -2 37 17 -2 18 29 1 18 36 1 19 22 1 29 19 -1 20 23 1 31 20 -1 21 24 1 32 21 -1 25 26 1 25 27 1 26 37 1 28 34 1 29 31 1 30 32 1 30 35 1 31 33 1 32 37 1 33 35 1 34 36 1 34 37 1 35 36 1', 'C26H36O9', 492.289, 'P', 'np97_1075_7', 2584, '', '', '1', 1, NULL, NULL),
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(1112, 'Adenolin B', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@:5]12[C@H:6](O)[C@@:7]4(O)O[CH2:20][C@:10]1([C@@H:1](O)[CH2:2][CH2:3][C@@:4]2([CH3:18])[CH2:19]O[C:19001]([CH3:19002])=O)[C@:9]3([H])[C@H:11](O)[CH2:12][C@H:13]5[CH2:14][C@@:8]34[C:15](=O)[C:16]5=[CH2:17]', '[H][C@]12[C@H](O)[C@@]4(O)OC[C@]1([C@@H](O)CC[C@@]2(C)COC(C)=O)[C@]3([H])[C@H](O)C[C@H]5C[C@@]34C(=O)C5=C', '[H][C@:62]12[C@H:74](O)[C@@:96]4(O)O[CH2:66][C@:43]1([C@@H:73](O)[CH2:29][CH2:34][C@@:38]2([CH3:28])[CH2:67]O[C:171]([CH3:21])=O)[C@:55]3([H])[C@H:67](O)[CH2:39][C@H:35]5[CH2:27][C@@:60]34[C:211](=O)[C:154]5=[CH2:116]', '32 36 H 15.35 -13.05 H 17.63 -9.63 C:17 21.38 -9.29 C:19002 9.53 -13.85 C:18 15.08 -13.79 O 11.13 -15.62 O 19.82 -12.24 O 14.11 -8.64 O 15.36 -7.95 O 16.56 -14.14 O 18.93 -12.73 C:2 12.95 -10.70 C:3 12.95 -12.07 C:19 13.15 -13.71 C:20 15.33 -9.34 C:12 17.73 -7.94 C:14 18.91 -10.01 O 11.84 -13.32 O 16.54 -11.41 C:19001 10.83 -14.25 C:16 20.04 -9.61 C:15 19.26 -10.99 C:13 18.91 -8.64 C:1 14.13 -10.01 C:11 16.54 -8.64 C:6 16.54 -12.78 C:4 14.13 -12.78 C:5 15.33 -12.07 C:9 16.54 -10.01 C:7 17.73 -12.07 C:8 17.73 -10.70 C:10 15.33 -10.70 28 1 -1 29 2 -1 3 21 2 4 20 1 27 5 -1 6 20 2 7 22 2 24 8 -2 25 9 -2 26 10 -1 30 11 -1 12 13 1 12 24 1 13 27 1 14 18 1 27 14 -2 15 19 1 32 15 -2 16 23 1 16 25 1 23 17 -2 31 17 -2 18 20 1 30 19 -2 21 22 1 21 23 1 22 31 1 24 32 1 25 29 1 26 28 1 26 30 1 27 28 1 28 32 1 29 31 1 29 32 1 30 31 1', '32 36 H 15.35 -13.05 H 17.63 -9.63 C 21.38 -9.29 C 9.53 -13.85 C 15.08 -13.79 O 11.13 -15.62 O 19.82 -12.24 O 14.11 -8.64 O 15.36 -7.95 O 16.56 -14.14 O 18.93 -12.73 C 12.95 -10.70 C 12.95 -12.07 C 13.15 -13.71 C 15.33 -9.34 C 17.73 -7.94 C 18.91 -10.01 O 11.84 -13.32 O 16.54 -11.41 C 10.83 -14.25 C 20.04 -9.61 C 19.26 -10.99 C 18.91 -8.64 C 14.13 -10.01 C 16.54 -8.64 C 16.54 -12.78 C 14.13 -12.78 C 15.33 -12.07 C 16.54 -10.01 C 17.73 -12.07 C 17.73 -10.70 C 15.33 -10.70 28 1 -1 29 2 -1 3 21 2 4 20 1 27 5 -1 6 20 2 7 22 2 24 8 -2 25 9 -2 26 10 -1 30 11 -1 12 13 1 12 24 1 13 27 1 14 18 1 27 14 -2 15 19 1 32 15 -2 16 23 1 16 25 1 23 17 -2 31 17 -2 18 20 1 30 19 -2 21 22 1 21 23 1 22 31 1 24 32 1 25 29 1 26 28 1 26 30 1 27 28 1 28 32 1 29 31 1 29 32 1 30 31 1', '32 36 H 15.35 -13.05 H 17.63 -9.63 C:116 21.38 -9.29 C:21 9.53 -13.85 C:28 15.08 -13.79 O 11.13 -15.62 O 19.82 -12.24 O 14.11 -8.64 O 15.36 -7.95 O 16.56 -14.14 O 18.93 -12.73 C:29 12.95 -10.70 C:34 12.95 -12.07 C:67 13.15 -13.71 C:66 15.33 -9.34 C:39 17.73 -7.94 C:27 18.91 -10.01 O 11.84 -13.32 O 16.54 -11.41 C:171 10.83 -14.25 C:154 20.04 -9.61 C:211 19.26 -10.99 C:35 18.91 -8.64 C:73 14.13 -10.01 C:67 16.54 -8.64 C:74 16.54 -12.78 C:38 14.13 -12.78 C:62 15.33 -12.07 C:55 16.54 -10.01 C:96 17.73 -12.07 C:60 17.73 -10.70 C:43 15.33 -10.70 28 1 -1 29 2 -1 3 21 2 4 20 1 27 5 -1 6 20 2 7 22 2 24 8 -2 25 9 -2 26 10 -1 30 11 -1 12 13 1 12 24 1 13 27 1 14 18 1 27 14 -2 15 19 1 32 15 -2 16 23 1 16 25 1 23 17 -2 31 17 -2 18 20 1 30 19 -2 21 22 1 21 23 1 22 31 1 24 32 1 25 29 1 26 28 1 26 30 1 27 28 1 28 32 1 29 31 1 29 32 1 30 31 1', 'C22H30O8', 422.246, 'P', 'ph38_437_2', 2128, '', '', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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(1114, 'Coetsoidin G', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]13[CH2:11][CH2:12][C@@H:13]2[C:16](=[CH2:17])[C:15](=O)[C@@:8]1([C@@H:14]2O)[C@H:7]5O[CH:20](O)[C@:10]34[CH2:1][CH2:2][C@H:3](O)[C@@:4]([CH3:18])([CH3:19])[C@@:5]4([H])[C@@H:6]5O', '[H][C@@]13CC[C@@H]2C(=C)C(=O)[C@@]1([C@@H]2O)[C@H]5OC(O)[C@]34CC[C@H](O)[C@@](C)(C)[C@@]4([H])[C@@H]5O', '[H][C@@:52]13[CH2:20][CH2:32][C@@H:45]2[C:154](=[CH2:119])[C:212](=O)[C@@:63]1([C@@H:71]2O)[C@H:70]5O[CH:94](O)[C@:40]34[CH2:26][CH2:24][C@H:74](O)[C@@:40]([CH3:30])([CH3:23])[C@@:54]4([H])[C@@H:70]5O', '28 32 H 16.63 -9.77 H 14.37 -13.11 C:17 20.32 -9.44 C:19 12.20 -13.76 C:18 14.10 -13.84 O 18.78 -12.31 O 10.81 -12.82 O 13.89 -8.19 O 15.57 -14.18 O 19.75 -10.81 C:2 12.01 -10.81 C:12 16.73 -8.11 C:11 15.55 -8.80 C:1 13.17 -10.14 O 15.55 -11.50 C:16 19.00 -9.75 C:15 18.23 -11.10 C:3 12.01 -12.14 C:20 14.35 -9.49 C:13 17.89 -8.80 C:6 15.55 -12.84 C:14 17.89 -10.14 C:7 16.73 -12.14 C:4 13.17 -12.84 C:9 15.55 -10.14 C:5 14.35 -12.14 C:10 14.35 -10.81 C:8 16.73 -10.81 25 1 -1 26 2 -1 3 16 2 24 4 -2 24 5 -1 6 17 2 18 7 -1 8 19 1 21 9 -1 22 10 -1 11 14 1 11 18 1 12 13 1 12 20 1 13 25 1 14 27 1 15 19 1 23 15 -2 16 17 1 16 20 1 17 28 1 18 24 1 27 19 -2 20 22 -2 21 23 1 21 26 1 28 22 -2 23 28 1 24 26 1 25 27 1 25 28 1 26 27 1', '28 32 H 16.63 -9.77 H 14.37 -13.11 C 20.32 -9.44 C 12.20 -13.76 C 14.10 -13.84 O 18.78 -12.31 O 10.81 -12.82 O 13.89 -8.19 O 15.57 -14.18 O 19.75 -10.81 C 12.01 -10.81 C 16.73 -8.11 C 15.55 -8.80 C 13.17 -10.14 O 15.55 -11.50 C 19.00 -9.75 C 18.23 -11.10 C 12.01 -12.14 C 14.35 -9.49 C 17.89 -8.80 C 15.55 -12.84 C 17.89 -10.14 C 16.73 -12.14 C 13.17 -12.84 C 15.55 -10.14 C 14.35 -12.14 C 14.35 -10.81 C 16.73 -10.81 25 1 -1 26 2 -1 3 16 2 24 4 -2 24 5 -1 6 17 2 18 7 -1 8 19 1 21 9 -1 22 10 -1 11 14 1 11 18 1 12 13 1 12 20 1 13 25 1 14 27 1 15 19 1 23 15 -2 16 17 1 16 20 1 17 28 1 18 24 1 27 19 -2 20 22 -2 21 23 1 21 26 1 28 22 -2 23 28 1 24 26 1 25 27 1 25 28 1 26 27 1', '28 32 H 16.63 -9.77 H 14.37 -13.11 C:119 20.32 -9.44 C:23 12.20 -13.76 C:30 14.10 -13.84 O 18.78 -12.31 O 10.81 -12.82 O 13.89 -8.19 O 15.57 -14.18 O 19.75 -10.81 C:24 12.01 -10.81 C:32 16.73 -8.11 C:20 15.55 -8.80 C:26 13.17 -10.14 O 15.55 -11.50 C:154 19.00 -9.75 C:212 18.23 -11.10 C:74 12.01 -12.14 C:94 14.35 -9.49 C:45 17.89 -8.80 C:70 15.55 -12.84 C:71 17.89 -10.14 C:70 16.73 -12.14 C:40 13.17 -12.84 C:52 15.55 -10.14 C:54 14.35 -12.14 C:40 14.35 -10.81 C:63 16.73 -10.81 25 1 -1 26 2 -1 3 16 2 24 4 -2 24 5 -1 6 17 2 18 7 -1 8 19 1 21 9 -1 22 10 -1 11 14 1 11 18 1 12 13 1 12 20 1 13 25 1 14 27 1 15 19 1 23 15 -2 16 17 1 16 20 1 17 28 1 18 24 1 27 19 -2 20 22 -2 21 23 1 21 26 1 28 22 -2 23 28 1 24 26 1 25 27 1 25 28 1 26 27 1', 'C20H28O6', 364.226, 'P', 'ph38_437_4', 2128, '', '', '1', 1, NULL, NULL),
(1115, 'Coetsoidin A', '', 'Terpenoids', 'Diterpenoids', 'Kauranes', '[H][C@@:9]12[CH2:11][CH2:12][C@@H:13]5[C:16](=[CH2:17])[C:15](=O)[C@:8]1([C@H:7](O)[CH2:6][C@:5]3([H])[C@@:4]([CH3:19])([CH3:18])[C@@:3]4(O)[CH2:2][CH2:1][C@@:10]23[CH2:20]O4)[C@@H:14]5O', '[H][C@@]12CC[C@@H]5C(=C)C(=O)[C@]1([C@H](O)C[C@]3([H])[C@@](C)(C)[C@@]4(O)CC[C@@]23CO4)[C@@H]5O', '[H][C@@:49]12[CH2:18][CH2:31][C@@H:46]5[C:150](=[CH2:117])[C:208](=O)[C@:61]1([C@H:73](O)[CH2:31][C@:49]3([H])[C@@:41]([CH3:20])([CH3:27])[C@@:98]4(O)[CH2:35][CH2:30][C@@:37]23[CH2:68]O4)[C@@H:77]5O', '27 31 H 16.64 -9.77 H 14.38 -13.12 C:17 20.33 -9.44 C:18 14.11 -13.85 C:19 12.21 -13.77 O 18.79 -12.32 O 17.92 -12.80 O 19.76 -10.81 O 10.81 -12.83 C:12 16.74 -8.11 C:11 15.56 -8.80 C:2 12.02 -10.81 C:1 13.18 -10.14 C:20 14.36 -9.49 C:6 15.56 -12.85 O 13.24 -11.47 C:16 19.01 -9.75 C:15 18.24 -11.10 C:7 16.74 -12.15 C:13 17.90 -8.80 C:14 17.90 -10.14 C:4 13.18 -12.85 C:9 15.56 -10.14 C:5 14.36 -12.15 C:3 12.02 -12.15 C:10 14.36 -10.81 C:8 16.74 -10.81 23 1 -1 24 2 -1 3 17 2 22 4 -1 22 5 -2 6 18 2 19 7 -2 21 8 -1 25 9 -1 10 11 1 10 20 1 11 23 1 12 13 1 12 25 1 13 26 1 14 16 1 26 14 -2 15 19 1 15 24 1 25 16 -2 17 18 1 17 20 1 18 27 1 19 27 1 20 21 -2 27 21 -2 22 24 1 22 25 1 23 26 1 23 27 1 24 26 1', '27 31 H 16.64 -9.77 H 14.38 -13.12 C 20.33 -9.44 C 14.11 -13.85 C 12.21 -13.77 O 18.79 -12.32 O 17.92 -12.80 O 19.76 -10.81 O 10.81 -12.83 C 16.74 -8.11 C 15.56 -8.80 C 12.02 -10.81 C 13.18 -10.14 C 14.36 -9.49 C 15.56 -12.85 O 13.24 -11.47 C 19.01 -9.75 C 18.24 -11.10 C 16.74 -12.15 C 17.90 -8.80 C 17.90 -10.14 C 13.18 -12.85 C 15.56 -10.14 C 14.36 -12.15 C 12.02 -12.15 C 14.36 -10.81 C 16.74 -10.81 23 1 -1 24 2 -1 3 17 2 22 4 -1 22 5 -2 6 18 2 19 7 -2 21 8 -1 25 9 -1 10 11 1 10 20 1 11 23 1 12 13 1 12 25 1 13 26 1 14 16 1 26 14 -2 15 19 1 15 24 1 25 16 -2 17 18 1 17 20 1 18 27 1 19 27 1 20 21 -2 27 21 -2 22 24 1 22 25 1 23 26 1 23 27 1 24 26 1', '27 31 H 16.64 -9.77 H 14.38 -13.12 C:117 20.33 -9.44 C:27 14.11 -13.85 C:20 12.21 -13.77 O 18.79 -12.32 O 17.92 -12.80 O 19.76 -10.81 O 10.81 -12.83 C:31 16.74 -8.11 C:18 15.56 -8.80 C:35 12.02 -10.81 C:30 13.18 -10.14 C:68 14.36 -9.49 C:31 15.56 -12.85 O 13.24 -11.47 C:150 19.01 -9.75 C:208 18.24 -11.10 C:73 16.74 -12.15 C:46 17.90 -8.80 C:77 17.90 -10.14 C:41 13.18 -12.85 C:49 15.56 -10.14 C:49 14.36 -12.15 C:98 12.02 -12.15 C:37 14.36 -10.81 C:61 16.74 -10.81 23 1 -1 24 2 -1 3 17 2 22 4 -1 22 5 -2 6 18 2 19 7 -2 21 8 -1 25 9 -1 10 11 1 10 20 1 11 23 1 12 13 1 12 25 1 13 26 1 14 16 1 26 14 -2 15 19 1 15 24 1 25 16 -2 17 18 1 17 20 1 18 27 1 19 27 1 20 21 -2 27 21 -2 22 24 1 22 25 1 23 26 1 23 27 1 24 26 1', 'C20H28O5', 348.227, 'P', 'ph38_437_5', 2128, '', '', '1', 1, NULL, NULL),
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(1130, 'ent-3a-Acetoxylabda-8(17),12Z,14-trien-2alfa-ol', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@:5]12[CH2:6][CH2:7][C:8](=[CH2:17])[C@@H:9]([CH2:11][CH:12]=[C:13]([CH3:16])[CH:14]=[CH2:15])[C@:10]1([CH3:20])[CH2:1][C@H:2](O)[C@@H:3](O[C:3001]([CH3:3002])=O)[C@@:4]2([CH3:18])[CH3:19]', '[H][C@]12CCC(=C)[C@@H](CC=C(C)C=C)[C@]1(C)C[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)C', '[H][C@:54]12[CH2:24][CH2:38][C:147](=[CH2:109])[C@@H:57]([CH2:22][CH:131]=[C:132]([CH3:20])[CH:134]=[CH2:114])[C@:40]1([CH3:15])[CH2:46][C@H:68](O)[C@@H:85](O[C:173]([CH3:21])=O)[C@@:39]2([CH3:29])[CH3:18]', '26 27 H 16.77 -15.14 C:15 18.00 -6.39 C:17 20.46 -12.05 C:3002 10.67 -14.89 C:16 20.46 -7.79 C:19 14.58 -15.94 C:18 16.49 -15.95 C:20 16.77 -11.34 O 11.88 -12.79 O 13.10 -12.07 C:14 18.00 -7.79 C:12 19.24 -9.92 C:11 18.00 -10.63 C:7 19.24 -14.19 C:6 18.00 -14.90 C:1 15.54 -12.05 O 13.09 -14.89 C:3001 11.88 -14.19 C:13 19.24 -8.50 C:8 19.24 -12.77 C:2 14.30 -12.77 C:9 18.00 -12.05 C:3 14.30 -14.19 C:4 15.54 -14.90 C:5 16.77 -14.19 C:10 16.77 -12.77 25 1 -1 2 11 2 3 20 2 4 18 1 5 19 1 24 6 -2 24 7 -1 26 8 -2 9 18 2 21 10 -1 11 19 1 12 13 1 12 19 2 22 13 -2 14 15 1 14 20 1 15 25 1 16 21 1 16 26 1 17 18 1 23 17 -2 20 22 1 21 23 1 22 26 1 23 24 1 24 25 1 25 26 1', '26 27 H 16.77 -15.14 C 18.00 -6.39 C 20.46 -12.05 C 10.67 -14.89 C 20.46 -7.79 C 14.58 -15.94 C 16.49 -15.95 C 16.77 -11.34 O 11.88 -12.79 O 13.10 -12.07 C 18.00 -7.79 C 19.24 -9.92 C 18.00 -10.63 C 19.24 -14.19 C 18.00 -14.90 C 15.54 -12.05 O 13.09 -14.89 C 11.88 -14.19 C 19.24 -8.50 C 19.24 -12.77 C 14.30 -12.77 C 18.00 -12.05 C 14.30 -14.19 C 15.54 -14.90 C 16.77 -14.19 C 16.77 -12.77 25 1 -1 2 11 2 3 20 2 4 18 1 5 19 1 24 6 -2 24 7 -1 26 8 -2 9 18 2 21 10 -1 11 19 1 12 13 1 12 19 2 22 13 -2 14 15 1 14 20 1 15 25 1 16 21 1 16 26 1 17 18 1 23 17 -2 20 22 1 21 23 1 22 26 1 23 24 1 24 25 1 25 26 1', '26 27 H 16.77 -15.14 C:114 18.00 -6.39 C:109 20.46 -12.05 C:21 10.67 -14.89 C:20 20.46 -7.79 C:18 14.58 -15.94 C:29 16.49 -15.95 C:15 16.77 -11.34 O 11.88 -12.79 O 13.10 -12.07 C:134 18.00 -7.79 C:131 19.24 -9.92 C:22 18.00 -10.63 C:38 19.24 -14.19 C:24 18.00 -14.90 C:46 15.54 -12.05 O 13.09 -14.89 C:173 11.88 -14.19 C:132 19.24 -8.50 C:147 19.24 -12.77 C:68 14.30 -12.77 C:57 18.00 -12.05 C:85 14.30 -14.19 C:39 15.54 -14.90 C:54 16.77 -14.19 C:40 16.77 -12.77 25 1 -1 2 11 2 3 20 2 4 18 1 5 19 1 24 6 -2 24 7 -1 26 8 -2 9 18 2 21 10 -1 11 19 1 12 13 1 12 19 2 22 13 -2 14 15 1 14 20 1 15 25 1 16 21 1 16 26 1 17 18 1 23 17 -2 20 22 1 21 23 1 22 26 1 23 24 1 24 25 1 25 26 1', 'C22H34O3', 346.242, 'C', 'np04_614_2', 710, '', 'ent-Labdanes', '1', 1, NULL, NULL);
INSERT INTO `molecules` (`id`, `name`, `semiSystematicName`, `family`, `subFamily`, `subSubFamily`, `smilesNumeration`, `smiles`, `smilesDisplacement`, `jmeNumeration`, `jme`, `jmeDisplacement`, `molecularFormula`, `molecularWeight`, `solvent`, `reference`, `bibliography`, `publicCom`, `privateCom`, `state`, `authorId`, `created_at`, `updated_at`) VALUES
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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
(1149, 'Sibiricinone C', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]23[C@H:6](O)[C:7](=O)[C@@H:8]([CH3:17])[C@:9](O)([CH2:11][CH2:12][C:13]1=[CH:14][CH:15](O[CH3:15001])O[C:16]1=O)[C@@:10]2([CH3:20])[CH2:1][CH2:2][CH2:3][C@:4]3([CH3:18])[CH3:19]', '[H][C@@]23[C@H](O)C(=O)[C@@H](C)[C@](O)(CCC1=CC(OC)OC1=O)[C@@]2(C)CCC[C@]3(C)C', '[H][C@@:49]23[C@H:76](O)[C:211](=O)[C@@H:46]([CH3:9])[C@:82](O)([CH2:32][CH2:22][C:139]1=[CH:142][CH:103](O[CH3:57])O[C:172]1=O)[C@@:44]2([CH3:19])[CH2:34][CH2:19][CH2:43][C@:35]3([CH3:33])[CH3:25]', '28 30 H 13.98 -15.43 C:15001 19.67 -5.95 C:17 17.67 -12.34 C:19 11.79 -16.23 C:18 13.70 -16.24 C:20 13.98 -11.63 O 14.03 -8.14 O 17.66 -15.18 O 15.21 -16.60 O 16.42 -11.63 C:14 17.67 -8.08 C:2 11.51 -13.06 C:12 16.44 -10.21 C:3 11.51 -14.48 C:1 12.74 -12.34 C:11 15.21 -10.92 O 18.30 -5.67 O 15.96 -6.57 C:16 15.40 -7.85 C:7 16.44 -14.48 C:13 16.44 -8.79 C:8 16.44 -13.06 C:15 17.37 -6.71 C:6 15.21 -15.19 C:4 12.74 -15.19 C:10 13.98 -13.06 C:5 13.98 -14.48 C:9 15.21 -12.34 27 1 -2 2 17 1 22 3 -2 25 4 -1 25 5 -2 26 6 -1 7 19 2 8 20 2 24 9 -1 28 10 -2 11 21 2 11 23 1 12 14 1 12 15 1 13 16 1 13 21 1 14 25 1 15 26 1 28 16 -1 17 23 1 18 19 1 18 23 1 19 21 1 20 22 1 20 24 1 22 28 1 24 27 1 25 27 1 26 27 1 26 28 1', '28 30 H 13.98 -15.43 C 19.67 -5.95 C 17.67 -12.34 C 11.79 -16.23 C 13.70 -16.24 C 13.98 -11.63 O 14.03 -8.14 O 17.66 -15.18 O 15.21 -16.60 O 16.42 -11.63 C 17.67 -8.08 C 11.51 -13.06 C 16.44 -10.21 C 11.51 -14.48 C 12.74 -12.34 C 15.21 -10.92 O 18.30 -5.67 O 15.96 -6.57 C 15.40 -7.85 C 16.44 -14.48 C 16.44 -8.79 C 16.44 -13.06 C 17.37 -6.71 C 15.21 -15.19 C 12.74 -15.19 C 13.98 -13.06 C 13.98 -14.48 C 15.21 -12.34 27 1 -2 2 17 1 22 3 -2 25 4 -1 25 5 -2 26 6 -1 7 19 2 8 20 2 24 9 -1 28 10 -2 11 21 2 11 23 1 12 14 1 12 15 1 13 16 1 13 21 1 14 25 1 15 26 1 28 16 -1 17 23 1 18 19 1 18 23 1 19 21 1 20 22 1 20 24 1 22 28 1 24 27 1 25 27 1 26 27 1 26 28 1', '28 30 H 13.98 -15.43 C:57 19.67 -5.95 C:9 17.67 -12.34 C:25 11.79 -16.23 C:33 13.70 -16.24 C:19 13.98 -11.63 O 14.03 -8.14 O 17.66 -15.18 O 15.21 -16.60 O 16.42 -11.63 C:142 17.67 -8.08 C:19 11.51 -13.06 C:22 16.44 -10.21 C:43 11.51 -14.48 C:34 12.74 -12.34 C:32 15.21 -10.92 O 18.30 -5.67 O 15.96 -6.57 C:172 15.40 -7.85 C:211 16.44 -14.48 C:139 16.44 -8.79 C:46 16.44 -13.06 C:103 17.37 -6.71 C:76 15.21 -15.19 C:35 12.74 -15.19 C:44 13.98 -13.06 C:49 13.98 -14.48 C:82 15.21 -12.34 27 1 -2 2 17 1 22 3 -2 25 4 -1 25 5 -2 26 6 -1 7 19 2 8 20 2 24 9 -1 28 10 -2 11 21 2 11 23 1 12 14 1 12 15 1 13 16 1 13 21 1 14 25 1 15 26 1 28 16 -1 17 23 1 18 19 1 18 23 1 19 21 1 20 22 1 20 24 1 22 28 1 24 27 1 25 27 1 26 27 1 26 28 1', 'C21H32O6', 380.229, 'C', 'np04_714_3', 224, '', 'Labdanes', '1', 1, NULL, NULL),
(1150, 'Sibiricinone D', '', 'Terpenoids', 'Diterpenoids', 'Labdanes', '[H][C@@:5]34[C@H:6](O)[C:7](=O)[C@@H:8]([CH3:17])[C@:9]2([CH2:11][CH2:12][C@@:13]1([CH2:16]O[C@@H:15](O[CH3:15001])[CH2:14]1)O2)[C@@:10]3([CH3:20])[CH2:1][CH2:2][CH2:3][C@@:4]4([CH3:19])[CH3:18]', '[H][C@@]34[C@H](O)C(=O)[C@@H](C)[C@]2(CC[C@@]1(CO[C@@H](OC)C1)O2)[C@@]3(C)CCC[C@@]4(C)C', '[H][C@@:50]34[C@H:76](O)[C:210](=O)[C@@H:46]([CH3:9])[C@:97]2([CH2:30][CH2:39][C@@:91]1([CH2:78]O[C@@H:106](O[CH3:55])[CH2:47]1)O2)[C@@:43]3([CH3:20])[CH2:34][CH2:19][CH2:44][C@@:35]4([CH3:25])[CH3:33]', '27 30 H 14.81 -15.31 C:15001 18.84 -5.77 C:17 18.61 -12.12 C:18 14.53 -16.15 C:19 12.57 -16.14 C:20 14.81 -12.01 O 18.57 -15.05 O 16.10 -16.47 C:2 12.27 -12.86 C:3 12.27 -14.34 C:1 13.55 -12.12 C:12 15.45 -9.95 C:11 14.98 -11.27 C:16 18.26 -10.04 C:14 16.47 -8.66 O 17.63 -6.47 O 18.74 -8.73 O 17.25 -11.35 C:7 17.36 -14.34 C:8 17.36 -12.86 C:15 17.63 -7.87 C:6 16.09 -15.07 C:4 13.55 -15.07 C:13 16.86 -10.00 C:10 14.81 -12.86 C:5 14.81 -14.34 C:9 16.09 -12.12 26 1 -2 2 16 1 20 3 -2 23 4 -2 23 5 -1 25 6 -1 7 19 2 22 8 -1 9 10 1 9 11 1 10 23 1 11 25 1 12 13 1 24 12 -1 27 13 -1 14 17 1 14 24 1 15 21 1 15 24 1 21 16 -2 17 21 1 24 18 -2 27 18 -2 19 20 1 19 22 1 20 27 1 22 26 1 23 26 1 25 26 1 25 27 1', '27 30 H 14.81 -15.31 C 18.84 -5.77 C 18.61 -12.12 C 14.53 -16.15 C 12.57 -16.14 C 14.81 -12.01 O 18.57 -15.05 O 16.10 -16.47 C 12.27 -12.86 C 12.27 -14.34 C 13.55 -12.12 C 15.45 -9.95 C 14.98 -11.27 C 18.26 -10.04 C 16.47 -8.66 O 17.63 -6.47 O 18.74 -8.73 O 17.25 -11.35 C 17.36 -14.34 C 17.36 -12.86 C 17.63 -7.87 C 16.09 -15.07 C 13.55 -15.07 C 16.86 -10.00 C 14.81 -12.86 C 14.81 -14.34 C 16.09 -12.12 26 1 -2 2 16 1 20 3 -2 23 4 -2 23 5 -1 25 6 -1 7 19 2 22 8 -1 9 10 1 9 11 1 10 23 1 11 25 1 12 13 1 24 12 -1 27 13 -1 14 17 1 14 24 1 15 21 1 15 24 1 21 16 -2 17 21 1 24 18 -2 27 18 -2 19 20 1 19 22 1 20 27 1 22 26 1 23 26 1 25 26 1 25 27 1', '27 30 H 14.81 -15.31 C:55 18.84 -5.77 C:9 18.61 -12.12 C:33 14.53 -16.15 C:25 12.57 -16.14 C:20 14.81 -12.01 O 18.57 -15.05 O 16.10 -16.47 C:19 12.27 -12.86 C:44 12.27 -14.34 C:34 13.55 -12.12 C:39 15.45 -9.95 C:30 14.98 -11.27 C:78 18.26 -10.04 C:47 16.47 -8.66 O 17.63 -6.47 O 18.74 -8.73 O 17.25 -11.35 C:210 17.36 -14.34 C:46 17.36 -12.86 C:106 17.63 -7.87 C:76 16.09 -15.07 C:35 13.55 -15.07 C:91 16.86 -10.00 C:43 14.81 -12.86 C:50 14.81 -14.34 C:97 16.09 -12.12 26 1 -2 2 16 1 20 3 -2 23 4 -2 23 5 -1 25 6 -1 7 19 2 22 8 -1 9 10 1 9 11 1 10 23 1 11 25 1 12 13 1 24 12 -1 27 13 -1 14 17 1 14 24 1 15 21 1 15 24 1 21 16 -2 17 21 1 24 18 -2 27 18 -2 19 20 1 19 22 1 20 27 1 22 26 1 23 26 1 25 26 1 25 27 1', 'C21H34O5', 366.23, 'C', 'np04_714_4', 224, '', 'Labdanes', '1', 1, NULL, NULL),
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