smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(/C=C/c2ccc([O-])cc2)cc1	ZINC000000225426	344645585	/nfs/dbraw/zinc/64/55/85/344645585.db2.gz	OETQWIHJPIESQB-OWOJBTEDSA-N	-1	3	241.246	3.471	50	5		BGBAHM
O=[N+]([O-])c1ccc(Oc2cccc([O-])c2)cc1	ZINC000000235601	344651334	/nfs/dbraw/zinc/65/13/34/344651334.db2.gz	DROHRAYYEDKXIN-UHFFFAOYSA-N	-1	3	231.207	3.093	50	5		BGBAHM
[O-]N=c1c2ccccc2ccc2ccccc21	ZINC000001730903	183172698	/nfs/dbraw/zinc/17/26/98/183172698.db2.gz	LRBLEEPNJOPXOB-UHFFFAOYSA-N	-1	3	221.259	3.283	50	5		BGBAHM
Cc1cc([O-])cc2c(=O)c3ccccc3sc12	ZINC000004482251	178199292	/nfs/dbraw/zinc/19/92/92/178199292.db2.gz	LHXGLTZNCXCSKG-UHFFFAOYSA-N	-1	3	242.299	3.429	50	5		BGBAHM
c1ccc2c(c1)c1n[n-]nc1c1ccccc12	ZINC000005286535	384109094	/nfs/dbraw/zinc/10/90/94/384109094.db2.gz	IUUAERVZHMFZKY-UHFFFAOYSA-N	-1	3	219.247	3.264	50	5		BGBAHM
c1ccc2c(c1)c1nn[n-]c1c1ccccc12	ZINC000005286535	384109091	/nfs/dbraw/zinc/10/90/91/384109091.db2.gz	IUUAERVZHMFZKY-UHFFFAOYSA-N	-1	3	219.247	3.264	50	5		BGBAHM
O=[N+]([O-])c1ccccc1Oc1cccc([O-])c1	ZINC000037674632	364475331	/nfs/dbraw/zinc/47/53/31/364475331.db2.gz	RQEKVVMGRXBZPZ-UHFFFAOYSA-N	-1	3	231.207	3.093	50	5		BGBAHM
O=[N+]([O-])c1cc(F)ccc1Oc1cccc([O-])c1	ZINC000037674660	364475678	/nfs/dbraw/zinc/47/56/78/364475678.db2.gz	SWDCLESJGWEPNE-UHFFFAOYSA-N	-1	3	249.197	3.232	50	5		BGBAHM
[O-]c1c2c(O)cccc2cc2cccc(O)c12	ZINC000100014431	183298538	/nfs/dbraw/zinc/29/85/38/183298538.db2.gz	YUTJCNNFTOIOGT-UHFFFAOYSA-N	-1	3	226.231	3.110	50	5	in-vitro	BGBAHM
O=c1cc2[n-]c3ccccc3nc-2c2ccccc12	ZINC000101461623	384673280	/nfs/dbraw/zinc/67/32/80/384673280.db2.gz	SUUJAUREVJXEII-UHFFFAOYSA-N	-1	3	246.269	3.181	50	5		BGBAHM
O=[N+]([O-])c1ccc(F)c(-c2cccc([O-])c2)c1	ZINC000725269209	538101241	/nfs/dbraw/zinc/10/12/41/538101241.db2.gz	GGDAJOQZTJVTFX-UHFFFAOYSA-N	-1	3	233.198	3.107	50	5		BGBAHM