smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-])c1ccccc1	ZINC000217638040	570319503	/nfs/dbraw/zinc/31/95/03/570319503.db2.gz	RIIIXBQWZTZFDY-OAHLLOKOSA-N	-2	3	396.468	4.359	40	0		GIABHL
CCCOc1ccc(Br)cc1C([O-])=CC(=O)c1ccccc1[O-]	ZINC000113704315	570333344	/nfs/dbraw/zinc/33/33/44/570333344.db2.gz	PHCFOBKMRSEGSY-UHFFFAOYSA-N	-2	3	377.234	4.399	40	0		GIABHL
CC(C)Oc1ccc(Br)cc1C([O-])=CC(=O)c1ccccc1[O-]	ZINC000113704318	570333242	/nfs/dbraw/zinc/33/32/42/570333242.db2.gz	ZKRVOCKYFIZVQR-UHFFFAOYSA-N	-2	3	377.234	4.398	40	0		GIABHL
CCc1nc(SC(=Cc2cc(Cl)c(OC(C)C)c(OC)c2)C(=O)[O-])n[n-]1	ZINC000213405958	570963543	/nfs/dbraw/zinc/96/35/43/570963543.db2.gz	LAZOVMAAVQPZPN-JYRVWZFOSA-N	-2	3	397.884	4.034	40	0		GIABHL
CCc1nc(SC(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)[O-])n[n-]1	ZINC000213391280	570963446	/nfs/dbraw/zinc/96/34/46/570963446.db2.gz	APUPEQQWWIWWEY-ZROIWOOFSA-N	-2	3	375.837	4.498	40	0		GIABHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1	ZINC000005134045	570430439	/nfs/dbraw/zinc/43/04/39/570430439.db2.gz	MHDRRHSBZYUWNA-UHFFFAOYSA-N	-2	3	397.452	4.297	40	0		GIABHL
Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C(=O)[O-])o3)ccc2Cl)cc1	ZINC000226353219	534211528	/nfs/dbraw/zinc/21/15/28/534211528.db2.gz	GWCQTLHKMIJETH-UHFFFAOYSA-N	-2	3	391.832	4.407	40	0		GIABHL
O=C([O-])c1cc(Cl)c(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000226354485	534543114	/nfs/dbraw/zinc/54/31/14/534543114.db2.gz	TZNPNKSWBVLITP-UHFFFAOYSA-N	-2	3	380.636	4.146	40	0		GIABHL
O=S(=O)(c1ccc([O-])cc1)c1ccc([O-])c(C2C3CC4CC(C3)CC2C4)c1	ZINC000005769832	570455890	/nfs/dbraw/zinc/45/58/90/570455890.db2.gz	UNVSYWKCGNLPPV-UHFFFAOYSA-N	-2	3	384.497	4.470	40	0		GIABHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3ccc(C(=O)[O-])o3)c2)cc1	ZINC000226353329	534212487	/nfs/dbraw/zinc/21/24/87/534212487.db2.gz	FXXGGHJOQIHORG-UHFFFAOYSA-N	-2	3	391.832	4.407	40	0		GIABHL
O=C([O-])/C(=C/c1cc(Br)ccc1[O-])Sc1nc2ccccc2[nH]1	ZINC000007342819	570422331	/nfs/dbraw/zinc/42/23/31/570422331.db2.gz	QFENPJDOHJPJFK-ZSOIEALJSA-N	-2	3	391.246	4.249	40	0		GIABHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1F	ZINC000007053997	570500366	/nfs/dbraw/zinc/50/03/66/570500366.db2.gz	ZTJRVONOJUPOOJ-UHFFFAOYSA-N	-2	3	387.388	4.117	40	0		GIABHL
O=C([O-])c1ccc(-c2ccc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)o1	ZINC000226353239	231036902	/nfs/dbraw/zinc/03/69/02/231036902.db2.gz	KCGCWJLTFFOZMX-UHFFFAOYSA-N	-2	3	395.795	4.238	40	0		GIABHL
O=C([O-])/C(=C/c1ccc([O-])c(Br)c1)Sc1nc2ccccc2[nH]1	ZINC000050547826	822733176	/nfs/dbraw/zinc/73/31/76/822733176.db2.gz	RKKDNBAJENWCAY-ZSOIEALJSA-N	-2	3	391.246	4.249	40	0		GIABHL
C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-])c1ccccc1	ZINC000217638115	570319598	/nfs/dbraw/zinc/31/95/98/570319598.db2.gz	RIIIXBQWZTZFDY-HNNXBMFYSA-N	-2	3	396.468	4.359	40	0		GIABHL
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc(Cl)c1[O-]	ZINC000050547875	570915633	/nfs/dbraw/zinc/91/56/33/570915633.db2.gz	DVRXDTWHSCSZSF-ZSOIEALJSA-N	-2	3	376.821	4.148	40	0		GIABHL
O=C([O-])c1ccc(CN(C(=O)c2ccc3[n-]c(Cl)nc3c2)C2CCCC2)o1	ZINC000225980719	570637810	/nfs/dbraw/zinc/63/78/10/570637810.db2.gz	JGFVLNUNDAPDNG-UHFFFAOYSA-N	-2	3	387.823	4.093	40	0		GIABHL