smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000036348035 569144496 /nfs/dbraw/zinc/14/44/96/569144496.db2.gz TXHUQSJYQGPOLH-XMMPIXPASA-N 1 2 423.944 6.168 10 5 HKBELO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000036348035 569144497 /nfs/dbraw/zinc/14/44/97/569144497.db2.gz TXHUQSJYQGPOLH-XMMPIXPASA-N 1 2 423.944 6.168 10 5 HKBELO CC(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000036348036 569144464 /nfs/dbraw/zinc/14/44/64/569144464.db2.gz TXHUQSJYQGPOLH-DEOSSOPVSA-N 1 2 423.944 6.168 10 5 HKBELO CC(C)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000036348036 569144466 /nfs/dbraw/zinc/14/44/66/569144466.db2.gz TXHUQSJYQGPOLH-DEOSSOPVSA-N 1 2 423.944 6.168 10 5 HKBELO