smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=N)NC(=[NH2+])N1c1ccc([C@H](C#N)CCCc2ccccc2)cc1 ZINC000017039863 520587926 /nfs/dbraw/zinc/58/79/26/520587926.db2.gz NORDHUOLOBRMOI-SFHVURJKSA-N 1 3 374.492 3.922 40 30 FHEBHO CC1(C)NC(=N)NC(=[NH2+])N1c1cccc([C@H](C#N)CCCc2ccccc2)c1 ZINC000017039860 520588096 /nfs/dbraw/zinc/58/80/96/520588096.db2.gz WNCKKNJQXNBPKU-SFHVURJKSA-N 1 3 374.492 3.502 40 30 FHEBHO