smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1 ZINC000005141051 210398715 /nfs/dbraw/zinc/39/87/15/210398715.db2.gz XPQUXNYKZKQDIQ-UHFFFAOYSA-N 0 3 343.386 5.310 10 10 EKCEHN [O-]c1ccc(-c2ccccc2)cc1[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005685153 210516721 /nfs/dbraw/zinc/51/67/21/210516721.db2.gz MTKFJOWRWHBPET-XMMPIXPASA-N 0 3 343.470 5.635 10 10 EKCEHN CC1=CC(=NNc2ccc(Cl)cc2)C=C(CN2CCCC2)C1=O ZINC000253995012 244041543 /nfs/dbraw/zinc/04/15/43/244041543.db2.gz JFQASHVZFSYYCB-UHFFFAOYSA-N 0 3 329.831 5.365 10 10 EKCEHN