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

INSERT INTO `bigquery-public-data.ebi_chembl.compound_structures` (molregno, molfile, standard_inchi, standard_inchi_key, canonical_smiles) VALUES ('3198', '\n     RDKit          2D\n\n 14 15  0  0  0  0  0  0  0  0999 V2000\n    5.3375   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9917   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6917   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3917   -6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5167   -5.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1917   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8167   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9917   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6917   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1542   -4.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8125   -5.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3292   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0667   -6.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7000   -6.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0\n  3  1  1  0\n  4  2  1  0\n  5  3  1  0\n  6  1  1  0\n  7  2  1  0\n  8  3  1  0\n  9  8  1  0\n 10  6  2  0\n 11  7  2  0\n 12  1  1  0\n 13  6  1  0\n 14  7  1  0\n  5  4  1  0\n  9  4  1  0\nM  END', 'InChI=1S/C9H12O5/c1-9(8(12)13)5-3-2-4(14-5)6(9)7(10)11/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)', 'XIUCRMDWTGSKBJ-UHFFFAOYSA-N', 'CC1(C(=O)O)C2CCC(O2)C1C(=O)O'), ('1834716', '\n     RDKit          2D\n\n 20 21  0  0  0  0  0  0  0  0999 V2000\n    5.1894   -6.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8912   -5.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8933   -3.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5951   -3.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5973   -1.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9336   -3.1588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1873   -7.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4855   -8.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4833   -9.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7798  -10.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7746  -12.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4729  -12.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1765  -12.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1817  -10.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0\n  2  3  1  0\n  3  4  1  0\n  4  5  2  0\n  3  6  2  0\n  7  8  1  0\n  8  9  2  0\n  9 10  1  0\n 10 11  2  0\n 11 12  1  0\n  7 12  2  0\n  5  7  1  0\n  1 13  1  0\n 13 14  2  0\n 14 15  1  0\n 15 16  1  0\n 15 20  2  0\n 16 17  2  0\n 17 18  1  0\n 18 19  2  0\n 19 20  1  0\nM  END', 'InChI=1S/C19H16O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-16H/b13-7+,14-8+,16-15+', 'ISTXRHJZVWZATL-JMYNOJCWSA-N', 'O=C(/C=C/C=C/c1ccccc1)/C=C/c1ccccc1'), ('1836053', '\n     RDKit          2D\n\n 26 28  0  0  0  0  0  0  0  0999 V2000\n    4.9531   -1.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9511   -0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5987   -1.5004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7343   -2.9815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2010   -3.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1955    0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4437   -1.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3221   -3.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8147   -2.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6903   -4.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0732   -5.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5807   -5.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7051   -4.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8054   -4.6666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9195   -5.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4036   -6.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7265   -5.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6003    1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6387    0.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8843   -4.0129    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0\n  2  3  1  0\n  3  4  1  0\n  4  5  2  0\n  5  1  1  0\n  2  6  1  0\n  7  8  2  0\n  8  9  1  0\n  9 10  2  0\n 10 11  1  0\n 11 12  2  0\n 12  7  1  0\n  3  7  1  0\n  1 13  1  0\n 13 14  1  0\n 14 15  2  0\n 15 16  1  0\n 16 17  2  0\n 17 18  1  0\n 18 19  2  0\n 19 14  1  0\n  5 20  1  0\n 20 21  1  0\n 21 22  1  0\n 21 23  1  0\n 10 24  1  0\n 24 25  1  0\n 16 26  1  0\nM  END', 'InChI=1S/C20H23FN4O/c1-5-15-11-22-20(23-12-15)25-14(4)18(19(24-25)26-13(2)3)10-16-7-6-8-17(21)9-16/h6-9,11-13H,5,10H2,1-4H3', 'MHPOLMSDNMSBLH-UHFFFAOYSA-N', 'CCc1cnc(-n2nc(OC(C)C)c(Cc3cccc(F)c3)c2C)nc1'), ('18332', '\n     RDKit          2D\n\n 33 37  0  0  0  0  0  0  0  0999 V2000\n    4.4042   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5667   -5.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7375   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9292   -5.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3792   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9167   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5000   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5625   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3125   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6000   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7375   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6292   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9750   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9167   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2125   -2.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2625   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1542   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9792   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9625   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6000   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8292   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9375   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2042   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4125   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8000   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6417   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7875   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0292   -6.8917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    9.7542   -4.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2042   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2042   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4917   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4917   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0\n  3  1  1  0\n  4  1  1  0\n  5  3  2  0\n  6  2  1  0\n  7 13  1  0\n  8  3  1  0\n  9  7  1  0\n 10  5  1  0\n 11  4  1  0\n 12  4  1  0\n 13 17  1  0\n 14  6  1  0\n 15  7  2  0\n 16 11  1  0\n 17 12  1  0\n 18  8  1  0\n 19  8  2  0\n 20  9  2  0\n 21  9  1  0\n 22 26  1  0\n 23 27  2  0\n 24 20  1  0\n 25 18  2  0\n 26 21  2  0\n 27 19  1  0\n 28 23  1  0\n 29 22  1  0\n 30  6  2  0\n 31 14  2  0\n 32 30  1  0\n 33 32  2  0\n 13 16  1  0\n 10 14  1  0\n 23 25  1  0\n 33 31  1  0\n 22 24  2  0\nM  END', 'InChI=1S/C28H24ClFN2O/c29-23-10-5-19(6-11-23)25-14-9-20-3-1-2-4-26(20)31-28(25)32-17-15-22(16-18-32)27(33)21-7-12-24(30)13-8-21/h1-8,10-14,22H,9,15-18H2', 'SCAFHDCAYSKSHU-UHFFFAOYSA-N', 'O=C(c1ccc(F)cc1)C1CCN(C2=Nc3ccccc3CC=C2c2ccc(Cl)cc2)CC1'), ('1856527', '\n     RDKit          2D\n\n 17 18  0  0  0  0  0  0  0  0999 V2000\n    3.6331   -3.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5951   -3.0039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5973   -1.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6003    1.4977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8990    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2007    1.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.4972    0.7364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.4920   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1903   -1.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1862   -2.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8939   -0.7546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0\n  2  3  1  0\n  3  4  1  0\n  4  5  2  0\n  5  6  1  0\n  6  7  2  0\n  7  8  1  0\n  8  9  1  0\n  9 10  2  0\n 10 11  1  0\n 11 12  2  0\n 12 13  1  0\n 13 14  1  0\n 13 15  2  0\n 15  9  1  0\n  7 16  1  0\n 16 17  2  0\n 17  4  1  0\nM  END', 'InChI=1S/C13H15N3O/c1-10-7-15-9-13(16-10)17-12-5-3-11(4-6-12)8-14-2/h3-7,9,14H,8H2,1-2H3', 'DAHTXAIQFDPRFK-UHFFFAOYSA-N', 'CNCc1ccc(Oc2cncc(C)n2)cc1');