smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CC[NH+](C5CCN(C(C)=O)CC5)CC4)cc32)c1C ZINC000218174890 562877847 /nfs/dbraw/zinc/87/78/47/562877847.db2.gz XUVYXWZGNUIRBK-ANYBSYGZSA-N 2 0 588.797 4.386 1 70 KIIFRP