smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=C/C=[NH+]/Cc1ccccc1 70455107 560047566 /nfs/dbraw/zinc/04/75/66/560047566.db2.gz RZKDTKSGADGQJJ-UXBLZVDNSA-N 1 2 163.245 2.257 1 30 biogenic,in-vitro AEEFLO C=C(CN([NH3+])CC)c1ccc(F)cc1 87660402 171133041 /nfs/dbraw/zinc/13/30/41/171133041.db2.gz ZEFXWMDOGGTHGS-UHFFFAOYSA-N 1 2 194.253 2.035 1 30 AEEFLO