smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C[N@H+]2CCCn3nc(CO)cc3C2)cc(=O)[nH]1 ZINC000217829741 351951423 /nfs/dbraw/zinc/95/14/23/351951423.db2.gz YRXYWFZBVDVUOG-UHFFFAOYSA-N -1 2 289.339 0.585 50 70 CCIALM