smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c(F)c([O-])nc2n1CCCN2 159612590 344149328 /nfs/dbraw/zinc/14/93/28/344149328.db2.gz QRGOJZMTDAERBV-UHFFFAOYSA-N -1 0 185.158 -0.096 10 70 ABIERM COc1nc(C)[n-]c(=O)n1 218421562 344412272 /nfs/dbraw/zinc/41/22/72/344412272.db2.gz DSDRYYNIRNLUIT-UHFFFAOYSA-N -1 0 141.130 -0.518 10 70 ABIERM O=S(=O)(Cl)Cc1nn[n-]n1 306526332 1423691266 /nfs/dbraw/zinc/69/12/66/1423691266.db2.gz UJTJWMQSXIVNGU-UHFFFAOYSA-N -1 0 182.592 -0.732 10 70 ABIERM