smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1Br ZINC000033321900 522131213 /nfs/dbraw/zinc/13/12/13/522131213.db2.gz GWAOFKBEWMJXJG-KPKJPENVSA-N 0 2 438.684 3.769 10 10 IHCELN COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1O ZINC000033926166 521960699 /nfs/dbraw/zinc/96/06/99/521960699.db2.gz BDWKGDHYWHOWLD-QPEQYQDCSA-N 0 2 431.242 3.978 10 10 IHCELN