smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](CC)(CC)C/C=C/C[NH+]1CCCCC1 ZINC000003207429 717095549 /nfs/dbraw/zinc/09/55/49/717095549.db2.gz FHNOOJCTTUBGEG-ZHACJKMWSA-N 2 0 239.427 2.905 3 5 BFBFRP CC(C)(C)c1ccc([N+](C)(C)CCC[NH3+])cc1 ZINC000028529855 717115753 /nfs/dbraw/zinc/11/57/53/717115753.db2.gz YVVNAYUSFCYGPS-UHFFFAOYSA-N 2 0 235.395 2.900 1 5 BFBFRP