smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(Cn2cnc3nc[nH]c(=O)c32)cc1)c1cccc(S(=O)(=O)F)c1 ZINC000043356713 563120097 /nfs/dbraw/zinc/12/00/97/563120097.db2.gz NNHNAGPXHCIEKC-UHFFFAOYSA-N 0 0 427.417 2.078 1 70 IEIFRN O=C(Nc1ccc(Cn2cnc3nc[nH]c(=O)c32)cc1)c1ccc(S(=O)(=O)F)cc1 ZINC000043871866 563121472 /nfs/dbraw/zinc/12/14/72/563121472.db2.gz MQSBLFDAORRDJY-UHFFFAOYSA-N 0 0 427.417 2.078 1 70 IEIFRN