smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cc[nH+]cc2)c[nH+]1 ZINC000095596313 136182522 /nfs/dbraw/zinc/18/25/22/136182522.db2.gz DDHUONMGKXGFBS-UHFFFAOYSA-N 2 2 375.436 2.047 1 10 GECFLP