smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cccc(-c2c[nH]c3nc[nH+]c(N4CCO[C@H](C[NH3+])C4)c23)c1 ZINC000073385954 216383112 /nfs/dbraw/zinc/38/31/12/216383112.db2.gz GQCAEIXYYAWGMT-CQSZACIVSA-N 2 1 334.383 1.660 1 30 EDEFMP