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+](CCOCC[NH3+])CC[N+](=O)[O-] 1578477217 1170725564 /nfs/dbraw/zinc/72/55/64/1170725564.db2.gz KNCWTXLZGHKIEX-UHFFFAOYSA-N 2 1 191.231 -0.830 20 5 ABBDMP C[N@@H+](CCOCC[NH3+])CC[N+](=O)[O-] 1578477217 1170725566 /nfs/dbraw/zinc/72/55/66/1170725566.db2.gz KNCWTXLZGHKIEX-UHFFFAOYSA-N 2 1 191.231 -0.830 20 5 ABBDMP