smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2cccc-2ccc2c3ccccc3[nH]c21 ZINC000001658404 177638774 /nfs/dbraw/zinc/63/87/74/177638774.db2.gz RTTUYQFUJQGIBB-UHFFFAOYSA-N 0 0 231.298 4.734 1 5 BJBFRN Cc1c2ccccc2cc2c1ccc1c2CC=CC1 ZINC000072170689 177638537 /nfs/dbraw/zinc/63/85/37/177638537.db2.gz HPPBMEXJKPQLKT-UHFFFAOYSA-N 0 0 244.337 4.956 1 5 BJBFRN c1ccc2cc3c(ccc4c3CC=CC4)cc2c1 ZINC000072171853 187442841 /nfs/dbraw/zinc/44/28/41/187442841.db2.gz OZAFKQPMLKDFKR-UHFFFAOYSA-N 0 0 230.310 4.648 1 5 BJBFRN c1ccn(-c2cc3ccccc3c3ccccc32)c1 ZINC000073197831 183454539 /nfs/dbraw/zinc/45/45/39/183454539.db2.gz PMUZVLJNQYQQEU-UHFFFAOYSA-N 0 0 243.309 4.784 1 5 BJBFRN