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-])CCC(=O)c1ccc2ccc3cccc4ccc1c2c34	ZINC000000154888	180710220	/nfs/dbraw/zinc/71/02/20/180710220.db2.gz	AAJQTWWVKREOQP-UHFFFAOYSA-N	-1	0	302.329	4.632	50	5	in-vitro	DJBARM
O=[N+]([O-])c1ccccc1[N-]c1nc(-c2cccs2)cs1	ZINC000005064468	181199869	/nfs/dbraw/zinc/19/98/69/181199869.db2.gz	ZCOZROUCWHRURE-UHFFFAOYSA-N	-1	0	303.368	4.523	50	5		DJBARM
O=C([O-])c1cc(-c2ccccc2F)nc2ccc3ccccc3c21	ZINC000000101057	563216849	/nfs/dbraw/zinc/21/68/49/563216849.db2.gz	GQMCQPQNKWTSCJ-UHFFFAOYSA-N	-1	0	317.319	4.892	50	5		DJBARM
O=C([O-])c1cc(-c2cccs2)nc2ccc3ccccc3c21	ZINC000000093111	190611422	/nfs/dbraw/zinc/61/14/22/190611422.db2.gz	SWGAQGJHKYCYOC-UHFFFAOYSA-N	-1	0	305.358	4.815	50	5		DJBARM
O=[N+]([O-])c1ccccc1[N-]c1nc(-c2ccc(F)cc2)cs1	ZINC000005065198	181200047	/nfs/dbraw/zinc/20/00/47/181200047.db2.gz	IRUBIUTWZRWMDD-UHFFFAOYSA-N	-1	0	315.329	4.601	50	5		DJBARM
O=C([O-])c1cc(-c2cccc(F)c2)nc2ccc3ccccc3c21	ZINC000005200461	181216475	/nfs/dbraw/zinc/21/64/75/181216475.db2.gz	OMABEZIETKIMTM-UHFFFAOYSA-N	-1	0	317.319	4.892	50	5		DJBARM
O=C([O-])c1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c21	ZINC000082046868	192353155	/nfs/dbraw/zinc/35/31/55/192353155.db2.gz	LCYJXEOHLAEURY-UHFFFAOYSA-N	-1	0	300.317	4.654	50	5		DJBARM
Cc1oc2cc(Sc3ccccc3)c([O-])cc2c1[N+](=O)[O-]	ZINC000005531677	563332407	/nfs/dbraw/zinc/33/24/07/563332407.db2.gz	OXWZUNJAHNLNTL-UHFFFAOYSA-N	-1	0	301.323	4.506	50	5		DJBARM
O=C([O-])CCCCC(=O)c1cc2ccccc2c2ccccc12	ZINC000002378705	180921448	/nfs/dbraw/zinc/92/14/48/180921448.db2.gz	GHVCDXHGEUFBAX-UHFFFAOYSA-N	-1	0	306.361	4.821	50	5		DJBARM