smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1ccco1)Cc1cnc(C2CCCCC2)nc1 ZINC000218719886 567948060 /nfs/dbraw/zinc/94/80/60/567948060.db2.gz JTQLRJAGRLWCRP-UHFFFAOYSA-N 1 2 285.391 3.749 50 70 CHIALO C[N@@H+](Cc1ccco1)Cc1cnc(C2CCCCC2)nc1 ZINC000218719886 567948061 /nfs/dbraw/zinc/94/80/61/567948061.db2.gz JTQLRJAGRLWCRP-UHFFFAOYSA-N 1 2 285.391 3.749 50 70 CHIALO