smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(c2ccccn2)CC[N@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000029548426 525069701 /nfs/dbraw/zinc/06/97/01/525069701.db2.gz UKXAKQZMPLLQIM-OAHLLOKOSA-N 1 1 339.443 2.203 1 10 EECFMO CCn1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)OCCO)C[N@@H+](C)[C@@H]1C2 ZINC000029482976 202187578 /nfs/dbraw/zinc/18/75/78/202187578.db2.gz LKSTYTVVPYKJOD-QGPMSJSTSA-N 1 1 342.439 2.157 1 10 EECFMO C[NH+](C)CCNC(=O)Nc1csc2c1C(=O)c1ccccc1C2=O ZINC000072106700 216009152 /nfs/dbraw/zinc/00/91/52/216009152.db2.gz UNDHBOZWNFFIRN-UHFFFAOYSA-N 1 1 343.408 2.207 1 10 EECFMO C[C@H]1CN(c2ccccn2)CC[N@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000029548431 524673539 /nfs/dbraw/zinc/67/35/39/524673539.db2.gz UKXAKQZMPLLQIM-HNNXBMFYSA-N 1 1 339.443 2.203 1 10 EECFMO CCn1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)OCCO)C[N@@H+](C)[C@H]1C2 ZINC000029482973 202187815 /nfs/dbraw/zinc/18/78/15/202187815.db2.gz LKSTYTVVPYKJOD-HFTRVMKXSA-N 1 1 342.439 2.157 1 10 EECFMO CCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)OCCO)C[N@@H+](C)[C@@H]1C2 ZINC000040374511 213293663 /nfs/dbraw/zinc/29/36/63/213293663.db2.gz LKSTYTVVPYKJOD-QILLFSRXSA-N 1 1 342.439 2.157 1 10 EECFMO