smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](C)NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1C ZINC000218397971 241320335 /nfs/dbraw/zinc/32/03/35/241320335.db2.gz BBPCHWPHAXMALG-AWEZNQCLSA-N -1 0 346.452 3.166 40 70 EGIBRM Cc1ccc([C@@H](C)NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1C ZINC000218397899 241319160 /nfs/dbraw/zinc/31/91/60/241319160.db2.gz BBPCHWPHAXMALG-CQSZACIVSA-N -1 0 346.452 3.166 40 70 EGIBRM