smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCNCC2)CC1 ZINC000004182315 484028053 /nfs/dbraw/zinc/02/80/53/484028053.db2.gz IVPRYHSZZKSBPM-UHFFFAOYSA-N 0 3 369.447 -0.060 50 5 FBBAHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(CCO)CCN2CCOCC2)c1 ZINC000072314199 483653062 /nfs/dbraw/zinc/65/30/62/483653062.db2.gz OWNQHYYFJVRFEI-MRXNPFEDSA-N 0 3 369.418 -0.039 50 5 FBBAHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(CCO)CCN2CCOCC2)c1 ZINC000072314200 483653080 /nfs/dbraw/zinc/65/30/80/483653080.db2.gz OWNQHYYFJVRFEI-INIZCTEOSA-N 0 3 369.418 -0.039 50 5 FBBAHN