smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1ccc(O)c(Br)c1)c1cccc2ccccc21	ZINC000039987023	206192963	/nfs/dbraw/zinc/19/29/63/206192963.db2.gz	RLGZAEZIEQOMAM-UHFFFAOYSA-N	-1	1	378.247	4.109	10	10		GICEMM
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCc3ccccc3)cc([O-])c12	ZINC000077272836	208037584	/nfs/dbraw/zinc/03/75/84/208037584.db2.gz	NGOIESQGCUSOSC-UHFFFAOYSA-N	-1	1	376.364	4.156	10	10	in-vitro	GICEMM
O=c1cc(OCc2ccccc2)cc2oc(-c3ccc(O)c(O)c3)cc([O-])c1-2	ZINC000077272836	208037590	/nfs/dbraw/zinc/03/75/90/208037590.db2.gz	NGOIESQGCUSOSC-UHFFFAOYSA-N	-1	1	376.364	4.156	10	10	in-vitro	GICEMM
O=C1/C(=C/c2ccc([O-])c(Br)c2)SC(=S)N1Cc1ccco1	ZINC000028964072	209181332	/nfs/dbraw/zinc/18/13/32/209181332.db2.gz	QNMPVQAFNHWEQE-QPEQYQDCSA-N	-1	1	396.287	4.149	10	10		GICEMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(C)cc1	ZINC000002797425	209386918	/nfs/dbraw/zinc/38/69/18/209386918.db2.gz	RRCZREPQDQDYFO-WOJGMQOQSA-N	-1	1	385.510	4.462	10	10		GICEMM
O=C(Oc1cccc(/C=C2/SC(=S)[N-]C2=O)c1)c1ccc(Cl)cc1	ZINC000059245191	222055424	/nfs/dbraw/zinc/05/54/24/222055424.db2.gz	SIBSORUJMQOYGQ-NTEUORMPSA-N	-1	1	375.858	4.048	10	10		GICEMM