smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCNCCCNC1=CC(=O)c2cc3ccccc3cc2C1=O ZINC000101607043 219145131 /nfs/dbraw/zinc/14/51/31/219145131.db2.gz DGDMKPQMKUNOQU-UHFFFAOYSA-N 1 3 337.423 2.021 1 30 EEEFHO NCCC[NH2+]CCCNC1=CC(=O)c2cc3ccccc3cc2C1=O ZINC000101607043 219145132 /nfs/dbraw/zinc/14/51/32/219145132.db2.gz DGDMKPQMKUNOQU-UHFFFAOYSA-N 1 3 337.423 2.021 1 30 EEEFHO O=C(C=Cc1ccc(C[NH2+]CCc2c[nH]c3ccncc23)cc1)NO ZINC000072142874 216027808 /nfs/dbraw/zinc/02/78/08/216027808.db2.gz GYVBOCYZRIRHIA-AATRIKPKSA-N 1 3 336.395 2.414 1 30 EEEFHO