smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[C@@]1(C(=O)N2CCNCC2)CC[NH2+]C1)N1CCNCC1 ZINC000161157846 373058527 /nfs/dbraw/zinc/05/85/27/373058527.db2.gz HYUVSIQODCQRPU-HNNXBMFYSA-N 1 3 309.414 -1.780 20 70 DAIDHO O=C(C[C@]1(C(=O)N2CCNCC2)CC[NH2+]C1)N1CCNCC1 ZINC000161157742 373058388 /nfs/dbraw/zinc/05/83/88/373058388.db2.gz HYUVSIQODCQRPU-OAHLLOKOSA-N 1 3 309.414 -1.780 20 70 DAIDHO