smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cn2c[nH+]c3ccc4ccc(n1)c4c32 95922955 573576109 /nfs/dbraw/zinc/57/61/09/573576109.db2.gz OHTRKKQVVLQKIX-UHFFFAOYSA-N 1 2 193.209 2.474 10 5 AEBELO Nc1ccc2ccc3cccnc3c2[nH+]1 28222091 169295165 /nfs/dbraw/zinc/29/51/65/169295165.db2.gz YPYBVYAVVFLHDN-UHFFFAOYSA-N 1 2 195.225 2.365 10 5 AEBELO