smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCC[C@@H]1CNc1c2c3ccccc3[nH]c2[nH+]c2ccc(Cl)cc21 ZINC000040403023 205063510 /nfs/dbraw/zinc/06/35/10/205063510.db2.gz UXWBASMIMIMPDC-OAHLLOKOSA-N 2 2 378.907 5.419 1 5 GKBFLP CC[N@H+]1CCC[C@@H]1CNc1c2c3ccccc3[nH]c2[nH+]c2ccc(Cl)cc21 ZINC000040403023 205063515 /nfs/dbraw/zinc/06/35/15/205063515.db2.gz UXWBASMIMIMPDC-OAHLLOKOSA-N 2 2 378.907 5.419 1 5 GKBFLP