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+]1CCO[C@H](C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)C1 ZINC000237014144 132245423 /nfs/dbraw/zinc/24/54/23/132245423.db2.gz CJEMSWGFTMIRMT-KRWDZBQOSA-N 2 1 350.438 0.572 50 10 FCCAMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)C1 ZINC000237014144 132245424 /nfs/dbraw/zinc/24/54/24/132245424.db2.gz CJEMSWGFTMIRMT-KRWDZBQOSA-N 2 1 350.438 0.572 50 10 FCCAMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)C1 ZINC000237013940 132245439 /nfs/dbraw/zinc/24/54/39/132245439.db2.gz CJEMSWGFTMIRMT-QGZVFWFLSA-N 2 1 350.438 0.572 50 10 FCCAMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)C1 ZINC000237013940 132245440 /nfs/dbraw/zinc/24/54/40/132245440.db2.gz CJEMSWGFTMIRMT-QGZVFWFLSA-N 2 1 350.438 0.572 50 10 FCCAMP