smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000916270398 717192852 /nfs/dbraw/zinc/19/28/52/717192852.db2.gz CJPLPMJZNPEUKK-UHFFFAOYSA-O 1 0 387.507 4.313 20 50 GIGDRO Cc1ccc(C)c(Oc2cccc(Cl)c2C=NNC(=O)C[N+](C)(C)C)c1C ZINC000794457252 717189830 /nfs/dbraw/zinc/18/98/30/717189830.db2.gz QENKWAUKKSUPFD-UHFFFAOYSA-O 1 0 388.919 4.214 20 50 GIGDRO C[N+](C)(C)CC(=O)NN=C(CCCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000794455338 717189248 /nfs/dbraw/zinc/18/92/48/717189248.db2.gz FLTKMLHVECKEGC-UHFFFAOYSA-O 1 0 386.947 4.084 20 50 GIGDRO