smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N[C@@H](C)C2CCC2)nc(C(C)C)[nH+]1 ZINC000159979679 345768307 /nfs/dbraw/zinc/76/83/07/345768307.db2.gz QSERYCZXBQSKBK-NSHDSACASA-N 1 2 233.359 3.509 10 70 BHIELO Cc1cc(N[C@H](C)C2CCC2)nc(C(C)C)[nH+]1 ZINC000159979833 134797006 /nfs/dbraw/zinc/79/70/06/134797006.db2.gz QSERYCZXBQSKBK-LLVKDONJSA-N 1 2 233.359 3.509 10 70 BHIELO Cc1cc(N[C@@H]2CCCc3ccccc32)cc[nH+]1 ZINC000160912084 178181630 /nfs/dbraw/zinc/18/16/30/178181630.db2.gz RDRYFKKJOQLLCY-MRXNPFEDSA-N 1 2 238.334 3.880 10 70 BHIELO