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=C([O-])C=CC1=NNc1ccccc1	ZINC000012405049	350531699	/nfs/dbraw/zinc/53/16/99/350531699.db2.gz	BPTKLSBRRJFNHJ-UHFFFAOYSA-N	-1	0	214.224	3.513	10	10		BHCERM
CCCCCN(C)/N=N/c1ccc(C(=O)[O-])cc1	ZINC000025998488	344118263	/nfs/dbraw/zinc/11/82/63/344118263.db2.gz	TUJYUSMRVZZAIX-CCEZHUSRSA-N	-1	0	249.314	3.506	10	10		BHCERM
O=C([O-])c1cccc(/N=N/c2ccccc2)c1	ZINC000032224738	345758724	/nfs/dbraw/zinc/75/87/24/345758724.db2.gz	PSIKAQNVARWEFI-CCEZHUSRSA-N	-1	0	226.235	3.800	10	10		BHCERM
O=C([O-])c1ccc(NN=C2C=CC=CC2=O)cc1	ZINC000072266071	384204541	/nfs/dbraw/zinc/20/45/41/384204541.db2.gz	UGBDZLIAWUHKCW-CCEZHUSRSA-N	-1	0	242.234	3.506	10	10		BHCERM
O=C([O-])c1ccc(NN=C2C=CC=CC2=O)cc1	ZINC000100389176	384638386	/nfs/dbraw/zinc/63/83/86/384638386.db2.gz	UGBDZLIAWUHKCW-PFONDFGASA-N	-1	0	242.234	3.506	10	10		BHCERM
[O-]c1csc2ccc3ccccc3c12	ZINC000103847998	183305440	/nfs/dbraw/zinc/30/54/40/183305440.db2.gz	BNJIPQODGVBLQG-UHFFFAOYSA-N	-1	0	200.262	3.760	10	10		BHCERM
[O-]c1csc2c1c(Cl)ccc2Cl	ZINC000137482350	183305826	/nfs/dbraw/zinc/30/58/26/183305826.db2.gz	GGBKVZJKCHBIST-UHFFFAOYSA-N	-1	0	219.092	3.914	10	10		BHCERM