smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@H]1CCCN1Cc1nc(C2(O)CC[NH+](Cc3ccccc3O)CC2)cs1 ZINC000225423222 291222347 /nfs/dbraw/zinc/22/23/47/291222347.db2.gz BMXBFDXYPWCBIO-GOSISDBHSA-N 2 0 417.575 2.943 40 10 biogenic,in-vitro HFCBRP Oc1ccccc1C[NH2+]C[C@H]1O[C@H](Cc2cc(C[NH+]3CCCCC3)on2)CC[C@@H]1O ZINC000096269008 291230634 /nfs/dbraw/zinc/23/06/34/291230634.db2.gz XLQBSTWJFHDYMK-AJSBUHFISA-N 2 0 415.534 2.607 40 10 biogenic,in-vitro HFCBRP