smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2n(c(=O)c1CC[NH+]1CCC(/C(=N\O)c3ccc(F)cc3O)CC1)CCCC2 ZINC000103563506 557316445 /nfs/dbraw/zinc/31/64/45/557316445.db2.gz QGINLGWKFUKWBV-XTCLZLMSSA-N 1 1 428.508 2.866 10 30 in-vitro IFEEMO CC[NH+]1CCN(C(=O)c2cccc(N3CC(=O)C(c4nc5ccccc5s4)=C3N)c2)CC1 ZINC000064838367 521671018 /nfs/dbraw/zinc/67/10/18/521671018.db2.gz HKMMWXYSOHNAPA-UHFFFAOYSA-N 1 1 447.564 2.791 10 30 IFEEMO Cc1c(/N=C/c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000020293731 557005943 /nfs/dbraw/zinc/00/59/43/557005943.db2.gz HIJYXDUBNZDGMH-LFVJCYFKSA-N 1 1 434.500 2.895 10 30 IFEEMO