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(NC[C@H](c1ccccc1)N1CCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514291704 1059200971 /nfs/dbraw/zinc/20/09/71/1059200971.db2.gz FPXRYIWQXJIOST-HHHXNRCGSA-N 0 3 571.700 2.785 20 5 KFBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000514291705 1059200781 /nfs/dbraw/zinc/20/07/81/1059200781.db2.gz FPXRYIWQXJIOST-MHZLTWQESA-N 0 3 571.700 2.785 20 5 KFBDHN