smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(F)cc2)CC1 ZINC000036340786 518720043 /nfs/dbraw/zinc/72/00/43/518720043.db2.gz RWQAWQUIFSFQPG-OAQYLSRUSA-N 2 2 412.553 3.526 10 30 HHEELP C=CCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(F)cc2)CC1 ZINC000036340787 518728813 /nfs/dbraw/zinc/72/88/13/518728813.db2.gz RWQAWQUIFSFQPG-NRFANRHFSA-N 2 2 412.553 3.526 10 30 HHEELP