-- DBMS: bigquery
CREATE TABLE `bigquery-public-data.ebi_chembl.compound_structures_23`
(
  molregno STRING,
  molfile STRING,
  standard_inchi STRING,
  standard_inchi_key STRING,
  canonical_smiles STRING
);

INSERT INTO `bigquery-public-data.ebi_chembl.compound_structures_23` (molregno, molfile, standard_inchi, standard_inchi_key, canonical_smiles) VALUES ('1548694', '\n  SciTegic11201309402D\n\n115122  0  0  1  0            999 V2000\n   -0.9226   -3.9322    0.0000 N   0  0\n   -1.7074   -3.7081    0.0000 C   0  0  2  0  0  0\n   -2.4489   -3.3718    0.0000 C   0  0\n   -4.6307   -0.9917    0.0000 N   0  0\n   -4.9842    1.3970    0.0000 N   0  0\n   -4.1392    3.6648    0.0000 N   0  0\n   -3.1474   -2.9233    0.0000 N   0  0\n   -4.9929    0.5863    0.0000 C   0  0\n    4.8722    2.0178    0.0000 N   0  0\n    3.6218   -2.4922    0.0000 N   0  0\n    4.8463   -0.3967    0.0000 N   0  0\n    1.5350   -3.7770    0.0000 N   0  0\n   -4.5531    2.9663    0.0000 C   0  0\n   -0.0948   -4.0098    0.0000 C   0  0\n    0.9141    5.7344    0.0000 C   0  0\n   -4.8635   -0.2157    0.0000 C   0  0  2  0  0  0\n    1.7161    5.5103    0.0000 N   0  0\n    4.9929    0.4139    0.0000 C   0  0\n   -4.2427   -1.7074    0.0000 C   0  0\n    2.3111   -3.4494    0.0000 C   0  0\n    4.1479   -1.8626    0.0000 C   0  0\n    3.6822   -4.9411    0.0000 C   0  0\n    3.1389    4.7255    0.0000 C   0  0\n   -4.8290    2.1902    0.0000 C   0  0  2  0  0  0\n   -3.6218    4.3116    0.0000 C   0  0  2  0  0  0\n    0.0863    5.8120    0.0000 C   0  0  2  0  0  0\n    5.0016    1.2331    0.0000 C   0  0  2  0  0  0\n    3.0096   -3.0268    0.0000 C   0  0  2  0  0  0\n    0.1122    6.6657    0.0000 N   0  0\n    0.7330   -3.9409    0.0000 C   0  0  2  0  0  0\n   -3.7424   -2.3542    0.0000 C   0  0  2  0  0  0\n    4.5359   -1.1470    0.0000 C   0  0  2  0  0  0\n   -0.6122    7.0883    0.0000 C   0  0\n    3.9322   -6.2433    0.0000 N   0  0\n    4.2772   -5.5103    0.0000 C   0  0\n    4.2772    0.8191    0.0000 C   0  0\n    3.5529    1.2418    0.0000 C   0  0\n   -4.2340    4.8548    0.0000 C   0  0\n   -3.4837    0.1724    0.0000 N   0  0\n    2.4663    5.1740    0.0000 C   0  0  1  0  0  0\n    3.7857   -4.1392    0.0000 C   0  0\n    2.9579   -5.3379    0.0000 C   0  0\n   -1.5435    5.5792    0.0000 S   0  0\n   -2.3196    5.2688    0.0000 S   0  0\n    3.1131   -6.1311    0.0000 C   0  0\n   -0.5863    7.9333    0.0000 C   0  0  2  0  0  0\n   -4.2685    0.3794    0.0000 C   0  0\n   -2.8629   -4.0874    0.0000 O   0  0\n   -5.8379    0.5346    0.0000 O   0  0\n    1.0694    6.5364    0.0000 O   0  0\n   -5.3033    3.3026    0.0000 O   0  0\n   -0.0948   -4.8205    0.0000 O   0  0\n    5.8035    0.3276    0.0000 O   0  0\n    2.6905   -4.1737    0.0000 O   0  0\n    4.8377   -2.3111    0.0000 O   0  0\n   -4.9324   -2.1472    0.0000 O   0  0\n    3.6735    5.3551    0.0000 O   0  0\n    0.8624   -5.2861    0.0000 C   0  0\n   -4.7342   -3.1907    0.0000 C   0  0\n    5.8294   -1.6385    0.0000 C   0  0\n   -1.3452    6.6916    0.0000 O   0  0\n   -3.0009    4.8290    0.0000 C   0  0\n   -0.7244    5.7603    0.0000 C   0  0\n   -4.0270    5.6396    0.0000 O   0  0\n   -1.9920   -4.4755    0.0000 C   0  0  2  0  0  0\n    3.5529    2.0696    0.0000 O   0  0\n    0.1552    8.3129    0.0000 C   0  0\n   -1.6557   -8.1490    0.0000 N   0  0\n    0.2070   -5.7948    0.0000 C   0  0\n    0.1639    9.1407    0.0000 C   0  0\n   -5.0101    4.6220    0.0000 O   0  0\n   -1.2935    8.3388    0.0000 N   0  0\n   -1.7591   -7.3040    0.0000 C   0  0\n   -1.1037   -6.8038    0.0000 C   0  0\n    0.2157   10.7964    0.0000 C   0  0\n   -5.6309    2.4059    0.0000 C   0  0\n    5.9070   -2.4405    0.0000 C   0  0\n   -5.5275   -2.9320    0.0000 C   0  0\n   -0.5604   -5.4672    0.0000 C   0  0\n    0.3191   -6.6227    0.0000 C   0  0\n   -0.5433    9.5805    0.0000 C   0  0\n    0.9054    9.5288    0.0000 C   0  0\n    5.3379    7.3383    0.0000 N   0  0\n    0.9313   10.3825    0.0000 C   0  0\n   -0.5174   10.4084    0.0000 C   0  0\n   -1.2072   -5.9846    0.0000 C   0  0\n   -0.3363   -7.1229    0.0000 C   0  0\n   -1.4659   -5.1050    0.0000 O   0  0\n    0.2415   11.6673    0.0000 O   0  0\n   -6.2088    1.8368    0.0000 O   0  0\n    2.1818   -5.0533    0.0000 C   0  0\n   -0.8709   -8.4594    0.0000 C   0  0\n    2.8802    5.8896    0.0000 C   0  0\n    2.4922   -6.6572    0.0000 C   0  0\n    4.9240    6.6140    0.0000 C   0  0\n   -2.8198   -4.6135    0.0000 C   0  0\n   -6.1483   -3.4752    0.0000 C   0  0\n   -5.6914   -2.1472    0.0000 C   0  0\n    6.6572   -2.7768    0.0000 C   0  0\n    5.2344   -2.9061    0.0000 C   0  0\n    3.6994    5.8896    0.0000 C   0  0\n    4.0961    6.5968    0.0000 C   0  0\n   -0.2241   -7.9507    0.0000 C   0  0\n   -0.7674   -9.2873    0.0000 C   0  0\n    1.5350   -5.5879    0.0000 C   0  0\n    1.7074   -6.3898    0.0000 C   0  0\n   -6.4846   -1.8885    0.0000 C   0  0\n    5.3120   -3.7081    0.0000 C   0  0\n    6.7348   -3.5787    0.0000 C   0  0\n   -6.9244   -3.2166    0.0000 C   0  0\n    6.0622   -4.0444    0.0000 C   0  0\n   -7.1055   -2.4318    0.0000 C   0  0\n   -5.6676   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1  0\n 66 37  2  0\n 46 67  1  1\n 68 73  1  0\n 69 58  1  0\n 70 67  1  0\n 71 38  1  0\n 72 46  1  0\n 73 74  1  0\n 74 87  1  0\n 75 84  2  0\n 24 76  1  1\n 77 60  1  0\n 78 59  1  0\n 79 69  2  0\n 80 69  1  0\n 81 70  1  0\n 82 70  2  0\n 83 95  1  0\n 84 82  1  0\n 85 81  2  0\n 86 79  1  0\n 87 80  2  0\n 65 88  1  6\n 89 75  1  0\n 90 76  1  0\n 91 42  1  0\n 92 68  1  0\n 40 93  1  6\n 94 45  1  0\n 95102  1  0\n 96 65  1  0\n 97 78  1  0\n 98 78  2  0\n 99 77  1  0\n100 77  2  0\n101 93  1  0\n102101  1  0\n103 92  1  0\n104 92  1  0\n105 91  2  0\n106105  1  0\n107 98  1  0\n108100  1  0\n109 99  2  0\n110 97  2  0\n111108  2  0\n112107  2  0\n 74 86  2  0\n 34 45  1  0\n112110  1  0\n106 94  2  0\n 27 36  1  0\n111109  1  0\n 26 63  1  0\n 75 85  1  0\n 16113  1  1\n 27114  1  1\n  2115  1  6\nM  END', 'InChI=1S/C77H98N16O17S2/c1-42(2)80-36-48-23-21-47(22-24-48)33-57-72(104)93-65(43(3)95)76(108)88-56(32-45-16-8-5-9-17-45)69(101)89-60-38-82-64(97)35-59(71(103)84-55(31-44-14-6-4-7-15-44)68(100)86-58(70(102)85-57)34-49-37-81-53-19-11-10-18-51(49)53)87-67(99)54(20-12-13-29-78)83-75(107)62(91-66(98)52(79)30-46-25-27-50(96)28-26-46)40-111-112-41-63(77(109)110)92-74(106)61(39-94)90-73(60)105/h4-11,14-19,21-28,37,42-43,52,54-63,65,80-81,94-96H,12-13,20,29-36,38-41,78-79H2,1-3H3,(H,82,97)(H,83,107)(H,84,103)(H,85,102)(H,86,100)(H,87,99)(H,88,108)(H,89,101)(H,90,105)(H,91,98)(H,92,106)(H,93,104)(H,109,110)/t43-,52+,54-,55+,56+,57+,58+,59+,60+,61+,62-,63+,65+/m1/s1', 'RLPBDPAXQRWPCN-ZIQPJAMOSA-N', 'CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H]6CC(=O)NC[C@H](NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@@H](N)Cc8ccc(O)cc8)C(=O)N[C@H](CCCCN)C(=O)N6)C(=O)O)cc1'), ('685081', '\n  CDK    12/20/10,14:45\n\n114116  0  0  0  0  0  0  0  0999 V2000\n   17.6583   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6583   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2333   -1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5167   -0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7708   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0917   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6583   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6333   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5125   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2292   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9458   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3750   -1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8000   -1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9917   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