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+](CC)(CC)CCC[NH2+][C@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000031938835 571056443 /nfs/dbraw/zinc/05/64/43/571056443.db2.gz ROHSEOQPFZZRSJ-MRXNPFEDSA-N 2 2 366.784 4.954 40 5 FJBBLP CC[N+](CC)(CC)CCC[NH2+][C@@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000031938834 208020581 /nfs/dbraw/zinc/02/05/81/208020581.db2.gz ROHSEOQPFZZRSJ-INIZCTEOSA-N 2 2 366.784 4.954 40 5 FJBBLP