smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CC[NH+](C)Cc1c2ccccc2c(C[N@H+](C)CCN(C)C)c2ccccc21 ZINC000022918825 558522192 /nfs/dbraw/zinc/52/21/92/558522192.db2.gz KOLPZKQPBGVSAU-UHFFFAOYSA-N 2 1 406.618 3.980 50 5 HHBAMP CN(C)c1ccc2c(c1)[nH+]c1cc(N(C)C)ccc1c2SCC[NH+]1CCOCC1 ZINC000071767289 558910544 /nfs/dbraw/zinc/91/05/44/558910544.db2.gz WDTAJTITCPIQRC-UHFFFAOYSA-N 2 1 410.587 3.944 50 5 HHBAMP