smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(O)c(Cl)c(Cl)c(Cl)c1Cl	ZINC000000154748	183253939	/nfs/dbraw/zinc/25/39/39/183253939.db2.gz	RRBMVWQICIXSEO-UHFFFAOYSA-N	-1	0	247.892	3.711	50	10	in-vitro	BHCARM
O=C([O-])c1ccccc1NN=C1C=CC(=O)C=C1	ZINC000003861151	342738434	/nfs/dbraw/zinc/73/84/34/342738434.db2.gz	DWQOTEPNRWVUDA-CCEZHUSRSA-N	-1	0	242.234	3.506	50	10	in-vivo	BHCARM
O=C([O-])c1ccc(NN=C2C=CC(=O)C=C2)cc1	ZINC000003896282	342739430	/nfs/dbraw/zinc/73/94/30/342739430.db2.gz	HLVCZTOFOWHIJZ-CCEZHUSRSA-N	-1	0	242.234	3.506	50	10		BHCARM
O=C([O-])c1ccc(/N=N/c2ccccc2)cc1	ZINC000004403618	342747624	/nfs/dbraw/zinc/74/76/24/342747624.db2.gz	CSPTZWQFHBVOLO-CCEZHUSRSA-N	-1	0	226.235	3.800	50	10		BHCARM
O=C([O-])Cc1ccc(/N=N/c2ccccc2)cc1	ZINC000004742446	384079968	/nfs/dbraw/zinc/07/99/68/384079968.db2.gz	RZOAXRWZKOEFOU-FOCLMDBBSA-N	-1	0	240.262	3.729	50	10		BHCARM
O=C([O-])C1=CC(=O)C=CC1=NNc1ccccc1	ZINC000004963453	342755075	/nfs/dbraw/zinc/75/50/75/342755075.db2.gz	CKWHWHUIUBKIER-CCEZHUSRSA-N	-1	0	242.234	3.506	50	10		BHCARM
O=C([O-])C1=CC(=NNc2ccccc2)C=CC1=O	ZINC000016982974	342918473	/nfs/dbraw/zinc/91/84/73/342918473.db2.gz	JHDYSXXPQIFFJZ-CCEZHUSRSA-N	-1	0	242.234	3.506	50	10	in-vitro	BHCARM
O=C([O-])c1ccccc1NN=C1C=CC(=O)C=C1	ZINC000096300332	384449333	/nfs/dbraw/zinc/44/93/33/384449333.db2.gz	DWQOTEPNRWVUDA-PFONDFGASA-N	-1	0	242.234	3.506	50	10		BHCARM
O=C1C=C([O-])C=CC1=NNc1ccccc1	ZINC000100048113	183267869	/nfs/dbraw/zinc/26/78/69/183267869.db2.gz	BPTKLSBRRJFNHJ-BUHFOSPRSA-N	-1	0	214.224	3.513	50	10		BHCARM
O=C([O-])c1ccccc1NN=C1C=CC(=O)C=C1	ZINC000253982848	388626325	/nfs/dbraw/zinc/62/63/25/388626325.db2.gz	DWQOTEPNRWVUDA-UHFFFAOYSA-N	-1	0	242.234	3.506	50	10		BHCARM