smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(Br)cc1/C=N/c1ccccc1/N=C/c1c(O)ccc2ccccc12	ZINC000008402140	556841209	/nfs/dbraw/zinc/84/12/09/556841209.db2.gz	OGXFNOMCIFLQRW-CIOBDNPFSA-N	-2	1	445.316	6.515	40	30		IKEBML
O=[N+]([O-])c1ccc2c(ccc([O-])c2/C=N/c2ccc(-c3nc4ccccc4o3)c([O-])c2)c1	ZINC000000793792	556695429	/nfs/dbraw/zinc/69/54/29/556695429.db2.gz	DXTSCHPSNZUAKP-DHRITJCHSA-N	-2	1	425.400	5.718	40	30		IKEBML
Cc1cc(/C=N\c2ccc(Cl)cc2[O-])c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409387410	557099034	/nfs/dbraw/zinc/09/90/34/557099034.db2.gz	WNNXERBYVLERGH-MYKKPKGFSA-N	-2	1	428.941	5.842	40	30		IKEBML
CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc([O-])c(-c3nc4ccccc4s3)c2)c1[O-]	ZINC000016688220	556626014	/nfs/dbraw/zinc/62/60/14/556626014.db2.gz	LMQPPHVBSGAURI-FMCGGJTJSA-N	-2	1	435.461	5.432	40	30		IKEBML
O=[N+]([O-])c1ccc2c(ccc([O-])c2/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)c1	ZINC000000793787	556695480	/nfs/dbraw/zinc/69/54/80/556695480.db2.gz	IVWYMGBDTDXPJO-DHRITJCHSA-N	-2	1	425.400	5.718	40	30		IKEBML