smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCNC(=S)N/N=C1\C2CN3CC1(Cc1ccccc1)CN(C2)CC3 ZINC000020221023 558349144 /nfs/dbraw/zinc/34/91/44/558349144.db2.gz MROBYJBNYQCUFQ-FCDQGJHFSA-N 0 3 401.580 1.333 10 30 HDEEHN