smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000600776824 566365569 /nfs/dbraw/zinc/36/55/69/566365569.db2.gz SEOJMJHGBPWJIF-UHFFFAOYSA-N 2 0 398.257 3.072 10 5 GGBERP NNC(=[NH2+])SCc1c2ccccc2c(CSC(=[NH2+])NN)c2ccccc21 ZINC000003172448 570331533 /nfs/dbraw/zinc/33/15/33/570331533.db2.gz PHABUZMXLYBTOF-UHFFFAOYSA-N 2 0 384.534 3.256 10 5 GGBERP