smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Cl)c([O-])c(Cl)c1	ZINC000001266139	132243508	/nfs/dbraw/zinc/24/35/08/132243508.db2.gz	QVRJNVCMDPWLRR-VZUCSPMQSA-N	-2	0	411.241	4.510	50	10		HJCARL
O=C1Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)c([O-])c4ccccc34)c3cccc1c23	ZINC000002497240	568776417	/nfs/dbraw/zinc/77/64/17/568776417.db2.gz	PWVPVPJXCKMXDA-UHFFFAOYSA-N	-2	0	424.865	4.719	50	10		HJCARL
Cc1cc(S(=O)(=O)[O-])c(NN=C2C(=O)C(C(=O)[O-])=Cc3ccccc32)cc1Cl	ZINC000031362343	558750418	/nfs/dbraw/zinc/75/04/18/558750418.db2.gz	LZNMMJSXOXXHFD-QZQOTICOSA-N	-2	0	420.830	4.868	50	10		HJCARL
Cc1ccc(C)c(-c2csc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)n2)c1	ZINC000012535987	568845488	/nfs/dbraw/zinc/84/54/88/568845488.db2.gz	FTYBISLBFXHEAD-UHFFFAOYSA-N	-2	0	422.915	4.579	50	10		HJCARL
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc(C(=O)[O-])c1	ZINC000100358985	559196297	/nfs/dbraw/zinc/19/62/97/559196297.db2.gz	ZIBOVHHISUDXCF-FTGFMQHASA-N	-2	0	419.466	4.692	50	10		HJCARL
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C(=O)[O-])cc1	ZINC000002503291	568777270	/nfs/dbraw/zinc/77/72/70/568777270.db2.gz	BYKFWFQZVRCQSQ-UHFFFAOYSA-N	-2	0	414.255	4.622	50	10		HJCARL
O=c1c(N=Nc2ccc(O)cc2Cl)c(Nc2ccccc2)[n-]n1-c1ccccc1	ZINC000102151966	560808292	/nfs/dbraw/zinc/80/82/92/560808292.db2.gz	JFOBTTSYUUNDBN-WWDJGNSZSA-N	-2	0	405.845	4.970	50	10		HJCARL
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1	ZINC000017046031	558812973	/nfs/dbraw/zinc/81/29/73/558812973.db2.gz	OFMYSENRZKUNMG-VGOFMYFVSA-N	-2	0	419.264	4.693	50	10		HJCARL
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(C(=O)[O-])c1	ZINC000003634701	568865395	/nfs/dbraw/zinc/86/53/95/568865395.db2.gz	ZKPMKOLIBHAKHG-UHFFFAOYSA-N	-2	0	414.255	4.622	50	10		HJCARL
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc(C(=O)[O-])c1	ZINC000100358979	559196310	/nfs/dbraw/zinc/19/63/10/559196310.db2.gz	ZIBOVHHISUDXCF-IUBFCHALSA-N	-2	0	419.466	4.692	50	10		HJCARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1	ZINC000008914021	132334114	/nfs/dbraw/zinc/33/41/14/132334114.db2.gz	PMINPUGQAZEKHL-QPEQYQDCSA-N	-2	0	405.237	4.768	50	10		HJCARL
Cc1ccccc1N1C(=O)C(=Cc2cc(Cl)cc(Cl)c2[O-])C(=O)[N-]C1=S	ZINC000034222414	560589995	/nfs/dbraw/zinc/58/99/95/560589995.db2.gz	KZHAZHRMBIZBFE-GHXNOFRVSA-N	-2	0	407.278	4.679	50	10		HJCARL