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\c2ccccc2[O-])cc1	ZINC000006102204	355864003	/nfs/dbraw/zinc/86/40/03/355864003.db2.gz	WYCLPRAZRCOITO-YVMONPNESA-N	-1	3	241.246	3.471	10	5		BGBEHM
O=[N+]([O-])c1cccc(Sc2ccc([O-])cc2)c1	ZINC000013839435	188106015	/nfs/dbraw/zinc/10/60/15/188106015.db2.gz	SAAWTLWTDLCPEO-UHFFFAOYSA-N	-1	3	247.275	3.452	10	5		BGBEHM
COc1cc([O-])c2c(ccc3cc(O)ccc32)c1	ZINC000014651048	560224036	/nfs/dbraw/zinc/22/40/36/560224036.db2.gz	SNBOOLAIFKFRFC-UHFFFAOYSA-N	-1	3	240.258	3.413	10	5	biogenic,in-vitro	BGBEHM
O=c1ccc2nc3cc(Cl)ccc3[n-]c-2c1	ZINC000028113943	183286788	/nfs/dbraw/zinc/28/67/88/183286788.db2.gz	BYOQRPMUVPEAPF-UHFFFAOYSA-N	-1	3	230.654	3.142	10	5		BGBEHM
O=c1c2ccccc2sc2c([O-])cccc12	ZINC000034101653	345817071	/nfs/dbraw/zinc/81/70/71/345817071.db2.gz	MFZQDMVFXIZESQ-UHFFFAOYSA-N	-1	3	228.272	3.120	10	5		BGBEHM
Cc1cc([N+](=O)[O-])ccc1Oc1cccc([O-])c1	ZINC000037674674	364475640	/nfs/dbraw/zinc/47/56/40/364475640.db2.gz	JHAMBGVFLCZQIP-UHFFFAOYSA-N	-1	3	245.234	3.401	10	5		BGBEHM
O=[N+]([O-])c1ccc(Sc2ccccc2[O-])cc1	ZINC000050047169	344614518	/nfs/dbraw/zinc/61/45/18/344614518.db2.gz	RGWPUCGRFOHECS-UHFFFAOYSA-N	-1	3	247.275	3.452	10	5		BGBEHM
O=c1c2ccccc2ccc2ccc([O-])cc21	ZINC000065742874	488013921	/nfs/dbraw/zinc/01/39/21/488013921.db2.gz	DZKWIQHKTSOUFU-UHFFFAOYSA-N	-1	3	222.243	3.059	10	5	in-vitro	BGBEHM
O=[N+]([O-])c1cccc(-c2cc(F)ccc2[O-])c1	ZINC000079455288	350940165	/nfs/dbraw/zinc/94/01/65/350940165.db2.gz	JFTCEWMTIIYGLJ-UHFFFAOYSA-N	-1	3	233.198	3.107	10	5		BGBEHM
Cc1ccc2[nH]c3c(ccc4c[n-]c(=O)nc34)c2c1	ZINC000498049314	534369367	/nfs/dbraw/zinc/36/93/67/534369367.db2.gz	LYVDKMWQKZIULJ-UHFFFAOYSA-N	-1	3	249.273	3.278	10	5		BGBEHM
O=[N+]([O-])c1ccc2c(c1)oc1cc([O-])ccc12	ZINC000584640537	358326698	/nfs/dbraw/zinc/32/66/98/358326698.db2.gz	XKDMMZGFHWYNNG-UHFFFAOYSA-N	-1	3	229.191	3.200	10	5		BGBEHM