smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1 ZINC000043450425 534984010 /nfs/dbraw/zinc/98/40/10/534984010.db2.gz PHUIWGMGVRLGCA-UHFFFAOYSA-N 1 3 357.546 4.555 1 30 FJEFHO