smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1nc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c3ccccc3cc-2c(=O)[nH]1 ZINC000004878473 374241711 /nfs/dbraw/zinc/24/17/11/374241711.db2.gz CGDDRQLFQWMDOQ-XQQFMLRXSA-N 0 2 347.327 -1.735 40 5 EABBLN O=c1nc2n(C[C@@H](O)[C@H](O)[C@H](O)CO)c3ccccc3cc-2c(=O)[nH]1 ZINC000004878477 374241499 /nfs/dbraw/zinc/24/14/99/374241499.db2.gz CGDDRQLFQWMDOQ-UPJWGTAASA-N 0 2 347.327 -1.735 40 5 EABBLN O=c1nc2n(C[C@H](O)[C@@H](O)[C@H](O)CO)c3ccccc3cc-2c(=O)[nH]1 ZINC000004878479 210310094 /nfs/dbraw/zinc/31/00/94/210310094.db2.gz CGDDRQLFQWMDOQ-YNEHKIRRSA-N 0 2 347.327 -1.735 40 5 EABBLN O=c1nc2n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c3ccccc3cc-2c(=O)[nH]1 ZINC000004878481 210310326 /nfs/dbraw/zinc/31/03/26/210310326.db2.gz CGDDRQLFQWMDOQ-JHJVBQTASA-N 0 2 347.327 -1.735 40 5 EABBLN