smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]Cc1ccc(NCCN(C)C)c2c(=O)c3ccccc3sc12 ZINC000100890043 219110515 /nfs/dbraw/zinc/11/05/15/219110515.db2.gz OUKZVLVYFNKSRV-UHFFFAOYSA-N 1 3 341.480 3.108 1 5 EGBFHO