smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC[N@H+](C)C(C)(C)CC ZINC001169943083 760998469 /nfs/dbraw/zinc/99/84/69/760998469.db2.gz RHUAAYGUHPHZCI-UHFFFAOYSA-N 1 0 199.382 4.077 20 30 AIEDRO CCCCCCC[C@@H](CC)[NH2+]C(C)C ZINC001172357457 761113169 /nfs/dbraw/zinc/11/31/69/761113169.db2.gz DRVSDCYYVXZJDC-CYBMUJFWSA-N 1 0 199.382 4.124 20 30 AIEDRO CCCCCCC[C@H](CC)[NH2+]C(C)C ZINC001172357465 761113824 /nfs/dbraw/zinc/11/38/24/761113824.db2.gz DRVSDCYYVXZJDC-ZDUSSCGKSA-N 1 0 199.382 4.124 20 30 AIEDRO CCCCCCC[NH+](C(C)C)C(C)C ZINC001201761587 761810214 /nfs/dbraw/zinc/81/02/14/761810214.db2.gz LHRMOVAYIAPAKM-UHFFFAOYSA-N 1 0 199.382 4.076 20 30 AIEDRO CCCCCCCC[N@H+](C)C(C)(C)C ZINC001201825670 761809591 /nfs/dbraw/zinc/80/95/91/761809591.db2.gz BTXXYISTEKXNPJ-UHFFFAOYSA-N 1 0 199.382 4.077 20 30 AIEDRO