smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(/N=N/c2cccc3ccccc32)cc1 ZINC000004576711 183387866 /nfs/dbraw/zinc/38/78/66/183387866.db2.gz FDWBUGCBGXWJLC-ISLYRVAYSA-N 0 0 232.286 5.255 40 10 BKCBRN Cc1ccccc1/N=N\c1c(C)cccc1C ZINC000017288179 179243963 /nfs/dbraw/zinc/24/39/63/179243963.db2.gz PQSHCMWEMCCYPL-MSUUIHNZSA-N 0 0 224.307 5.027 40 10 BKCBRN Cc1ccc(C)c(/N=N/c2cc(C)ccc2C)c1 ZINC000017302155 384485265 /nfs/dbraw/zinc/48/52/65/384485265.db2.gz VQXWBCZVCAOSHC-ISLYRVAYSA-N 0 0 238.334 5.336 40 10 BKCBRN c1ccc(/N=N/c2ccc3ccccc3c2)cc1 ZINC000018007682 183388005 /nfs/dbraw/zinc/38/80/05/183388005.db2.gz JRABDIJJEFFEHT-ISLYRVAYSA-N 0 0 232.286 5.255 40 10 BKCBRN CC(C)Cc1ccc(/N=N/c2ccccc2)cc1 ZINC000018060303 187251612 /nfs/dbraw/zinc/25/16/12/187251612.db2.gz SCAMTSOOGIYISY-ISLYRVAYSA-N 0 0 238.334 5.301 40 10 BKCBRN CCCCc1ccc(/N=N/c2ccccc2)cc1 ZINC000018060757 169018895 /nfs/dbraw/zinc/01/88/95/169018895.db2.gz ASRIDWLMXKVGIU-ISLYRVAYSA-N 0 0 238.334 5.445 40 10 BKCBRN Cc1ccccc1/N=N/c1c(C)cccc1C ZINC000100336828 179244807 /nfs/dbraw/zinc/24/48/07/179244807.db2.gz PQSHCMWEMCCYPL-WUKNDPDISA-N 0 0 224.307 5.027 40 10 BKCBRN c1ccc(/N=N\c2cccc3ccccc32)cc1 ZINC000104213312 183387771 /nfs/dbraw/zinc/38/77/71/183387771.db2.gz FDWBUGCBGXWJLC-ZCXUNETKSA-N 0 0 232.286 5.255 40 10 BKCBRN Cc1ccc(C)c(/N=N\c2cc(C)ccc2C)c1 ZINC000104363171 384825122 /nfs/dbraw/zinc/82/51/22/384825122.db2.gz VQXWBCZVCAOSHC-ZCXUNETKSA-N 0 0 238.334 5.336 40 10 BKCBRN