smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCNC(=O)[C@H](N)CCCC[NH3+] ZINC000008214422 207223457 /nfs/dbraw/zinc/22/34/57/207223457.db2.gz LWEXAPVESMZHFG-OAQYLSRUSA-N 1 3 369.638 5.040 10 30 in-man FKEEHO CCCCCCCCCCCCCCCCOCCC[NH2+]CCCN ZINC000103843968 222344004 /nfs/dbraw/zinc/34/40/04/222344004.db2.gz JKVCENSTXGEMCE-UHFFFAOYSA-N 1 3 356.639 5.813 10 30 FKEEHO