smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1cc(Br)ccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001206661414 1126159669 /nfs/dbraw/zinc/15/96/69/1126159669.db2.gz WNJUPGITJUENLO-SFHVURJKSA-N 0 1 441.163 3.927 20 10 IHCDMN [O-]c1cc(Br)ccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001206661413 1126159615 /nfs/dbraw/zinc/15/96/15/1126159615.db2.gz WNJUPGITJUENLO-GOSISDBHSA-N 0 1 441.163 3.927 20 10 IHCDMN