smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000216911086 385875388 /nfs/dbraw/zinc/87/53/88/385875388.db2.gz NUVGAWQAGWQTAQ-LLVKDONJSA-N 2 0 227.352 0.396 40 70 BCIBRP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000216911119 385875188 /nfs/dbraw/zinc/87/51/88/385875188.db2.gz NUVGAWQAGWQTAQ-NSHDSACASA-N 2 0 227.352 0.396 40 70 BCIBRP