smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])Cc1cccc2cc3ccccc3cc21	ZINC000027555003	384901634	/nfs/dbraw/zinc/90/16/34/384901634.db2.gz	LQYNVIHTHGRHBD-UHFFFAOYSA-N	-1	0	236.270	3.620	10	5		BHBERM
C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)[O-]	ZINC000033953469	385269872	/nfs/dbraw/zinc/26/98/72/385269872.db2.gz	DTAMQBQGFSVRFE-IDFWPVMJSA-N	-1	0	228.291	3.594	10	5		BHBERM
CC1(C)CCC(C)(C)c2cc([N+](=O)[O-])c([O-])cc21	ZINC000034571278	345832175	/nfs/dbraw/zinc/83/21/75/345832175.db2.gz	FNDPAUHMSYDDTI-UHFFFAOYSA-N	-1	0	249.310	3.649	10	5		BHBERM
O=[N+]([O-])c1cc(Cl)c([O-])c(C2CCCC2)c1	ZINC000038615251	372716866	/nfs/dbraw/zinc/71/68/66/372716866.db2.gz	HDCOPLJVLHIPBO-UHFFFAOYSA-N	-1	0	241.674	3.611	10	5		BHBERM
Cc1ccc(-c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000095494876	178325904	/nfs/dbraw/zinc/32/59/04/178325904.db2.gz	QFSVTECCOXMHAB-UHFFFAOYSA-N	-1	0	243.262	3.584	10	5		BHBERM
O=[N+]([O-])c1cc(-c2cccc(Cl)c2)ccc1[O-]	ZINC000095494897	188145598	/nfs/dbraw/zinc/14/55/98/188145598.db2.gz	IURRLPFQHZRASI-UHFFFAOYSA-N	-1	0	249.653	3.621	10	5		BHBERM
O=[N+]([O-])c1cc(-c2ccc(Cl)cc2)ccc1[O-]	ZINC000095494898	187287803	/nfs/dbraw/zinc/28/78/03/187287803.db2.gz	ZDWWIOZDQXIJGF-UHFFFAOYSA-N	-1	0	249.653	3.621	10	5		BHBERM
Cc1ccc2c(C(=O)[O-])cc3ccccc3c2c1	ZINC000196429791	352318562	/nfs/dbraw/zinc/31/85/62/352318562.db2.gz	MLKLDCRUNQYJIH-UHFFFAOYSA-N	-1	0	236.270	4.000	10	5		BHBERM
O=[N+]([O-])c1ccc(-c2ccc([O-])c(Cl)c2)cc1	ZINC000536953409	384804749	/nfs/dbraw/zinc/80/47/49/384804749.db2.gz	JWTHYLHZHLXPMV-UHFFFAOYSA-N	-1	0	249.653	3.621	10	5		BHBERM
O=[N+]([O-])c1ccccc1-c1ccc([O-])c(Cl)c1	ZINC000536953780	384807335	/nfs/dbraw/zinc/80/73/35/384807335.db2.gz	MGFYLJYBCWCZAT-UHFFFAOYSA-N	-1	0	249.653	3.621	10	5		BHBERM