-- DBMS: bigquery
CREATE TABLE `bigquery-public-data.ebi_chembl.compound_structures_24`
(
  molregno STRING,
  molfile STRING,
  standard_inchi STRING,
  standard_inchi_key STRING,
  canonical_smiles STRING
);

INSERT INTO `bigquery-public-data.ebi_chembl.compound_structures_24` (molregno, molfile, standard_inchi, standard_inchi_key, canonical_smiles) VALUES ('1544475', '\n  SciTegic11201309402D\n\n113118  0  0  1  0            999 V2000\n    9.2681   -1.0591    0.0000 N   0  0\n    6.4947   -1.0942    0.0000 C   0  0\n   13.0245   -1.6208    0.0000 N   0  0\n    5.1782   -1.1117    0.0000 N   0  0\n    9.0574   -1.8665    0.0000 C   0  0\n   12.7261   -0.8485    0.0000 C   0  0\n    3.8968   -1.4628    0.0000 C   0  0\n   10.5144   -0.0235    0.0000 C   0  0\n   12.6032   -3.2006    0.0000 C   0  0\n    5.8101   -0.6378    0.0000 C   0  0  1  0  0  0\n   11.9713   -3.7272    0.0000 N   0  0\n   11.3569    0.0292    0.0000 N   0  0\n    9.6367   -3.3761    0.0000 N   0  0\n   10.3388   -3.8149    0.0000 C   0  0\n    9.7771   -0.4096    0.0000 C   0  0  1  0  0  0\n   11.9537   -5.1490    0.0000 C   0  0\n   12.9894   -2.4633    0.0000 C   0  0  2  0  0  0\n   11.1638   -3.9554    0.0000 C   0  0  2  0  0  0\n    9.1803   -2.6740    0.0000 C   0  0  1  0  0  0\n    1.7378   -1.6208    0.0000 C   0  0\n   -4.6340   -1.7086    0.0000 C   0  0\n   -2.5042   -1.7086    0.0000 C   0  0\n   -0.3160   -1.5857    0.0000 C   0  0\n   12.1293   -0.2692    0.0000 C   0  0  1  0  0  0\n   -6.7404   -1.7963    0.0000 C   0  0\n   13.2878   -5.3596    0.0000 N   0  0\n    0.4213   -1.6383    0.0000 N   0  0\n   -3.8090   -1.7086    0.0000 N   0  0\n    2.5628   -1.4628    0.0000 N   0  0\n   -5.9681   -1.6910    0.0000 N   0  0\n    1.0707   -1.1644    0.0000 C   0  0  1  0  0  0\n   12.6910   -4.7804    0.0000 C   0  0\n   -1.6500   -1.5681    0.0000 N   0  0\n    1.0707   -0.3394    0.0000 C   0  0\n   -3.1596   -1.2346    0.0000 C   0  0  1  0  0  0\n   -5.3186   -2.1649    0.0000 C   0  0  1  0  0  0\n    3.2122   -1.9367    0.0000 C   0  0  1  0  0  0\n    6.5649    1.2404    0.0000 C   0  0\n   11.2165   -4.7804    0.0000 C   0  0\n   12.0941   -5.9740    0.0000 C   0  0\n   -1.0005   -2.0421    0.0000 C   0  0  1  0  0  0\n    1.7729    0.0819    0.0000 C   0  0\n    6.5122   -1.9367    0.0000 O   0  0\n   12.9191   -6.0969    0.0000 C   0  0\n    5.7399    1.1175    0.0000 N   0  0\n    8.2149   -1.8139    0.0000 O   0  0\n   13.4106   -0.3921    0.0000 O   0  0\n    7.1617   -3.2532    0.0000 C   0  0\n   -0.2984   -4.0958    0.0000 C   0  0\n   -6.7170    0.7313    0.0000 C   0  0\n   13.2527   -3.7272    0.0000 O   0  0\n   10.3037    0.7840    0.0000 O   0  0\n    3.8968   -0.6378    0.0000 O   0  0\n   10.0580   -4.6048    0.0000 O   0  0\n   -2.5042   -2.5160    0.0000 O   0  0\n   -4.6340   -0.8836    0.0000 O   0  0\n    1.7378   -2.4458    0.0000 O   0  0\n   -0.3160   -0.7607    0.0000 O   0  0\n   -6.7404   -2.6213    0.0000 O   0  0\n   -3.1596   -0.4096    0.0000 C   0  0\n   -7.4250   -1.3399    0.0000 C   0  0  2  0  0  0\n   -5.3186   -2.9899    0.0000 C   0  0\n    8.5309   -3.1304    0.0000 C   0  0\n    1.7729    0.8893    0.0000 O   0  0\n    6.5122   -2.7442    0.0000 O   0  0\n    0.4213   -4.5171    0.0000 O   0  0\n   -6.0148    1.1351    0.0000 O   0  0\n   -1.0005   -2.8671    0.0000 C   0  0\n    7.0915    0.6085    0.0000 N   0  0\n    6.8457    2.0303    0.0000 N   0  0\n   -7.4250   -0.5149    0.0000 C   0  0\n   13.8319   -1.4102    0.0000 C   0  0\n    4.5287   -0.4798    0.0000 C   0  0\n    7.8112   -2.7969    0.0000 C   0  0\n    2.4926   -0.3394    0.0000 N   0  0\n   -0.2984   -3.2883    0.0000 C   0  0\n   -6.7229   -0.0937    0.0000 C   0  0\n   -2.4574    0.0117    0.0000 C   0  0\n   -1.0356    0.8191    0.0000 C   0  0\n   -8.0745   -1.8139    0.0000 N   0  0\n   -7.4250    1.1351    0.0000 O   0  0\n   -1.0005   -4.5171    0.0000 O   0  0\n    6.8809   -4.0431    0.0000 O   0  0\n    5.8101    0.1872    0.0000 C   0  0\n   -1.7378   -0.4096    0.0000 C   0  0\n   -2.4574    0.8191    0.0000 C   0  0\n    4.6340   -5.2192    0.0000 N   0  0\n   15.1192    1.7670    0.0000 N   0  0\n   -1.0356    0.0117    0.0000 C   0  0\n   -1.7378    1.2404    0.0000 C   0  0\n   13.7617   -2.7617    0.0000 C   0  0\n    9.2505    0.2398    0.0000 C   0  0\n   -0.3160    1.2404    0.0000 O   0  0\n   12.5681    0.4329    0.0000 C   0  0\n    4.9324    0.3276    0.0000 C   0  0\n   14.2883   -2.1123    0.0000 C   0  0\n    3.2122   -2.7617    0.0000 C   0  0\n   11.5676   -6.6235    0.0000 C   0  0\n   -4.5989   -3.4112    0.0000 C   0  0\n   13.2176   -6.8692    0.0000 C   0  0\n    7.9165    0.7489    0.0000 C   0  0\n   14.6804    1.0473    0.0000 C   0  0\n    4.6340   -4.3942    0.0000 C   0  0\n    8.4431    0.0994    0.0000 C   0  0\n   13.4106    0.3978    0.0000 C   0  0\n    3.9144   -3.1655    0.0000 C   0  0\n   13.8495    1.0824    0.0000 C   0  0\n    3.9319   -3.9905    0.0000 C   0  0\n   -3.8968   -2.9899    0.0000 C   0  0\n   -4.5989   -4.2362    0.0000 C   0  0\n   11.8835   -7.3958    0.0000 C   0  0\n   12.6910   -7.5187    0.0000 C   0  0\n   13.3415   -3.3993    0.0000 H   0  0\n  2  1  1  0\n  3  6  1  0\n  4 10  1  0\n  5  1  1  0\n  6 24  1  0\n  7  4  1  0\n  8 15  1  0\n  9 11  1  0\n 10  2  1  1\n 11 18  1  0\n 12  8  1  0\n 13 19  1  0\n 14 13  1  0\n 15  1  1  0\n 16 39  1  0\n 17  3  1  0\n 18 14  1  0\n 19  5  1  0\n 20 29  1  0\n 21 28  1  0\n 22 33  1  0\n 23 27  1  0\n 24 12  1  0\n 25 30  1  0\n 26 32  1  0\n 31 27  1  1\n 35 28  1  1\n 37 29  1  6\n 36 30  1  6\n 31 20  1  0\n 32 16  2  0\n 41 33  1  6\n 31 34  1  0\n 35 22  1  0\n 36 21  1  0\n 37  7  1  0\n 38 69  2  0\n 18 39  1  1\n 40 16  1  0\n 41 23  1  0\n 42 34  1  0\n 43  2  2  0\n 44 40  2  0\n 45 38  1  0\n 46  5  2  0\n 47  6  2  0\n 48 74  1  0\n 49 76  1  0\n 50 77  1  0\n 51  9  2  0\n 52  8  2  0\n 53  7  2  0\n 54 14  2  0\n 55 22  2  0\n 56 21  2  0\n 57 20  2  0\n 58 23  2  0\n 59 25  2  0\n 35 60  1  0\n 61 25  1  0\n 36 62  1  0\n 19 63  1  1\n 64 42  2  0\n 65 48  2  0\n 66 49  2  0\n 67 50  2  0\n 41 68  1  0\n 69101  1  0\n 70 38  1  0\n 61 71  1  0\n 72  3  1  0\n 73  4  1  0\n 74 63  1  0\n 75 42  1  0\n 76 68  1  0\n 77 71  1  0\n 78 60  1  0\n 79 90  2  0\n 61 80  1  1\n 81 50  1  0\n 82 49  1  0\n 83 48  1  0\n 10 84  1  0\n 85 78  1  0\n 86 78  2  0\n 87103  1  0\n 88102  1  0\n 89 85  2  0\n 90 86  1  0\n 17 91  1  0\n 15 92  1  6\n 93 79  1  0\n 24 94  1  1\n 95 84  1  0\n 96 72  1  0\n 37 97  1  0\n 98 40  1  0\n 99 62  1  0\n100 44  1  0\n101104  1  0\n102107  1  0\n103108  1  0\n104 92  1  0\n105 94  1  0\n106 97  1  0\n107105  1  0\n108106  1  0\n109 99  1  0\n110 99  1  0\n111 98  2  0\n112111  1  0\n 95 73  1  0\n  9 17  1  0\n 91 96  1  0\n 26 44  1  0\n112100  2  0\n 89 79  1  0\n 17113  1  6\nM  END', 'InChI=1S/C73H107N19O20/c1-39(2)34-50(86-61(101)44(76)23-26-58(95)96)63(103)87-51(35-40-19-21-42(93)22-20-40)64(104)82-46(24-27-59(97)98)62(102)88-53(37-57(77)94)66(106)83-47(14-5-7-29-74)70(110)91-33-11-18-56(91)72(112)92-55(16-9-31-80-73(78)79)68(108)85-48(15-6-8-30-75)69(109)90-32-10-17-54(90)67(107)89-52(36-41-38-81-45-13-4-3-12-43(41)45)65(105)84-49(71(92)111)25-28-60(99)100/h3-4,12-13,19-22,38-39,44,46-56,81,93H,5-11,14-18,23-37,74-76H2,1-2H3,(H2,77,94)(H,82,104)(H,83,106)(H,84,105)(H,85,108)(H,86,101)(H,87,103)(H,88,102)(H,89,107)(H,95,96)(H,97,98)(H,99,100)(H4,78,79,80)/t44-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56-/m0/s1', 'UHYGKRBTPUQVIZ-BSTWHTDRSA-N', 'CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N3[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCC(=O)O)C3=O'), ('392984', '\n          02060813472D 1   1.00000     0.00000     0\n\n 83 91  0     1  0            999 V2000\n    9.8186   -0.9219    0.0000 C   0  0  1  0  0  0           0  0  0\n   10.5337   -1.3362    0.0000 C   0  0  0  0  0  0           0  0  0\n   11.2487   -0.9237    0.0000 C   0  0  0  0  0  0           0  0  0\n   11.2535   -0.0965    0.0000 C   0  0  2  0  0  0           0  0  0\n   10.5341    0.3159    0.0000 C   0  0  0  0  0  0           0  0  0\n    9.8141   -0.0971    0.0000 O   0  0  0  0  0  0           0  0  0\n    3.4671   -4.0112    0.0000 O   0  0  0  0  0  0           0  0  0\n    4.1819   -3.5921    0.0000 C   0  0  2  0  0  0           0  0  0\n    4.8977   -4.0161    0.0000 C   0  0  0  0  0  0           0  0  0\n    4.9006   -2.3601    0.0000 C   0  0  0  0  0  0           0  0  0\n    4.1795   -2.7700    0.0000 C   0  0  1  0  0  0           0  0  0\n    5.6217   -2.7751    0.0000 C   0  0  2  0  0  0           0  0  0\n    5.6119   -3.6012    0.0000 C   0  0  1  0  0  0           0  0  0\n    6.3233   -4.0203    0.0000 C   0  0  2  0  0  0           0  0  0\n    7.0370   -3.6099    0.0000 C   0  0  0  0  0  0           0  0  0\n    5.6120   -1.9441    0.0000 C   0  0  0  0  0  0           0  0  0\n    6.3347   -2.3682    0.0000 C   0  0  2  0  0  0           0  0  0\n    7.0430   -2.7847    0.0000 C   0  0  2  0  0  0           0  0  0\n    7.0644   -1.1374    0.0000 C   0  0  0  0  0  0           0  0  0\n    6.3396   -1.5457    0.0000 C   0  0  0  0  0  0           0  0  0\n    7.7727   -1.5643    0.0000 C   0  0  1  0  0  0           0  0  0\n    7.7621   -2.3835    0.0000 C   0  0  1  0  0  0           0  0  0\n    8.5413   -2.6455    0.0000 C   0  0  0  0  0  0           0  0  0\n    8.5567   -1.3160    0.0000 C   0  0  2  0  0  0           0  0  0\n    9.0297   -1.9841    0.0000 C   0  0  1  0  0  0           0  0  0\n    9.8104   -1.7417    0.0000 O   0  0  0  0  0  0           0  0  0\n    9.0432   -0.6596    0.0000 C   0  0  2  0  0  0           0  0  0\n   11.9670    0.3131    0.0000 C   0  0  0  0  0  0           0  0  0\n    8.7990    0.1284    0.0000 C   0  0  0  0  0  0           0  0  0\n    9.6146   -2.5709    0.0000 H   0  0  0  0  0  0           0  0  0\n    7.7615   -0.7346    0.0000 C   0  0  0  0  0  0           0  0  0\n    7.0259   -2.0811    0.0000 H   0  0  0  0  0  0           0  0  0\n    8.3337   -0.5201    0.0000 H   0  0  0  0  0  0           0  0  0\n    7.7739   -3.1713    0.0000 H   0  0  0  0  0  0           0  0  0\n    6.3063   -3.0770    0.0000 H   0  0  0  0  0  0           0  0  0\n    5.6060   -4.4252    0.0000 H   0  0  0  0  0  0           0  0  0\n    2.0267   -2.3771    0.0000 C   0  0  2  0  0  0           0  0  0\n    1.3159   -2.7939    0.0000 C   0  0  2  0  0  0           0  0  0\n    1.3257   -3.6141    0.0000 C   0  0  1  0  0  0           0  0  0\n    2.0391   -4.0220    0.0000 C   0  0  2  0  0  0           0  0  0\n    2.7501   -3.6012    0.0000 C   0  0  1  0  0  0           0  0  0\n    2.7474   -2.7768    0.0000 O   0  0  0  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