smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[NH2+]C[C@@H](N)CCCC[NH3+] ZINC000043335110 175011519 /nfs/dbraw/zinc/01/15/19/175011519.db2.gz IPMUJTQGCGQSBU-SFHVURJKSA-N 2 1 299.547 3.953 1 30 CHEFMP C=CCCCCCC[n+]1cccc([C@@H]2CCC[N@@H+]2C)c1 ZINC000038930102 174159791 /nfs/dbraw/zinc/15/97/91/174159791.db2.gz TUNDIRUBCYUYEE-SFHVURJKSA-N 2 1 273.444 3.877 1 30 CHEFMP CCCCCCCCCCCC[NH2+]C[C@H](N)CCCC[NH3+] ZINC000043335108 175011462 /nfs/dbraw/zinc/01/14/62/175011462.db2.gz IPMUJTQGCGQSBU-GOSISDBHSA-N 2 1 299.547 3.953 1 30 CHEFMP CCCCCC[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000045194809 175326833 /nfs/dbraw/zinc/32/68/33/175326833.db2.gz BOMZIFPPQOVVRO-UHFFFAOYSA-N 2 1 299.462 3.693 1 30 CHEFMP