smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2n(n1)C(=O)C([C@H](c1cccc(F)c1)N1CCN(S(C)(=O)=O)CC1)S2 ZINC000218219281 557182870 /nfs/dbraw/zinc/18/28/70/557182870.db2.gz CJTBXMWKDXTLOZ-AWEZNQCLSA-N 0 2 425.511 1.611 50 70 IDIALN Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(F)c1)N1CCN(S(C)(=O)=O)CC1)S2 ZINC000218219349 557182800 /nfs/dbraw/zinc/18/28/00/557182800.db2.gz CJTBXMWKDXTLOZ-CQSZACIVSA-N 0 2 425.511 1.611 50 70 IDIALN