smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[N+](C)(C)c1cccc([O-])c1 3198015 166125514 /nfs/dbraw/zinc/12/55/14/166125514.db2.gz YSZLXUXTOGPYQX-UHFFFAOYSA-O 0 3 192.282 2.535 1 30 AFEFHN CCCCCCCCCC([O-])=C[N+]#N 43676723 171089250 /nfs/dbraw/zinc/08/92/50/171089250.db2.gz RCDRHRJSTDWNEY-UHFFFAOYSA-N 0 3 196.294 2.997 1 30 AFEFHN