smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-]	ZINC000020302215	551115548	/nfs/dbraw/zinc/11/55/48/551115548.db2.gz	QRMCUJDWBJKWKI-HQJQHLMTSA-N	-2	3	384.679	2.880	10	0		GFAEHL
O=C([O-])[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1	ZINC000161806871	551598966	/nfs/dbraw/zinc/59/89/66/551598966.db2.gz	VLDNCNATWRVBKC-WCBMZHEXSA-N	-2	3	380.235	2.510	10	0		GFAEHL
Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)[O-])C2)sc1Br	ZINC000123568288	551306996	/nfs/dbraw/zinc/30/69/96/551306996.db2.gz	PDRWHQUIYNAPIL-RKDXNWHRSA-N	-2	3	382.301	2.741	10	0		GFAEHL
O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1	ZINC000161806999	551599051	/nfs/dbraw/zinc/59/90/51/551599051.db2.gz	VLDNCNATWRVBKC-WPRPVWTQSA-N	-2	3	380.235	2.510	10	0		GFAEHL
Cc1nc(C=Cc2cc(O)ccc2Br)[n-]c(=O)c1CCC(=O)[O-]	ZINC000195503543	553051087	/nfs/dbraw/zinc/05/10/87/553051087.db2.gz	OOUICPCCYVNFIC-QHHAFSJGSA-N	-2	3	379.210	2.734	10	0		GFAEHL
O=C1c2c([O-])c(Cc3ccc(O)cc3)c([O-])cc2O[C@H](c2ccc(O)cc2)[C@H]1O	ZINC000015254017	209194034	/nfs/dbraw/zinc/19/40/34/209194034.db2.gz	SFDDCVYUBBUSMV-FCHUYYIVSA-N	-2	3	394.379	2.777	10	0		GFAEHL
O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1	ZINC000161807121	551598881	/nfs/dbraw/zinc/59/88/81/551598881.db2.gz	VLDNCNATWRVBKC-PSASIEDQSA-N	-2	3	380.235	2.510	10	0		GFAEHL
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1	ZINC000161807232	551598964	/nfs/dbraw/zinc/59/89/64/551598964.db2.gz	VLDNCNATWRVBKC-SCZZXKLOSA-N	-2	3	380.235	2.510	10	0		GFAEHL
Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)[O-])C2)sc1Br	ZINC000123567772	551307007	/nfs/dbraw/zinc/30/70/07/551307007.db2.gz	PDRWHQUIYNAPIL-DTWKUNHWSA-N	-2	3	382.301	2.741	10	0		GFAEHL
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-]	ZINC000020302211	551115662	/nfs/dbraw/zinc/11/56/62/551115662.db2.gz	QRMCUJDWBJKWKI-RDDDGLTNSA-N	-2	3	384.679	2.880	10	0		GFAEHL
Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)sc1Br	ZINC000123568535	551306975	/nfs/dbraw/zinc/30/69/75/551306975.db2.gz	PDRWHQUIYNAPIL-BDAKNGLRSA-N	-2	3	382.301	2.741	10	0		GFAEHL
COc1cccc([C@H](c2c([O-])[nH]c(=S)[n-]c2=O)N2CCC(C)CC2)c1OC	ZINC000085958794	570699192	/nfs/dbraw/zinc/69/91/92/570699192.db2.gz	UDQMDXVEYORRJM-OAHLLOKOSA-N	-2	3	391.493	2.977	10	0		GFAEHL
O=C([O-])[C@H]1C[C@@H]1[C@]1(CC2c3ccccc3Oc3ccccc32)NC(=O)[N-]C1=O	ZINC000038988035	205041198	/nfs/dbraw/zinc/04/11/98/205041198.db2.gz	VTOCAUACMIVXNA-YHQOMNDMSA-N	-2	3	378.384	2.613	10	0		GFAEHL
CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(C)=O	ZINC000096193562	208283412	/nfs/dbraw/zinc/28/34/12/208283412.db2.gz	DNIZXQWLQDGULW-UHFFFAOYSA-N	-2	3	386.408	2.665	10	0		GFAEHL
Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(=O)[O-])C2)sc1Br	ZINC000123568003	551307029	/nfs/dbraw/zinc/30/70/29/551307029.db2.gz	PDRWHQUIYNAPIL-IUCAKERBSA-N	-2	3	382.301	2.741	10	0		GFAEHL
O=C(NCCCNC(=O)c1ccc(Cl)c(Cl)c1[O-])c1cccc([O-])c1	ZINC000106461458	551200124	/nfs/dbraw/zinc/20/01/24/551200124.db2.gz	NQSMFQIWPVLODV-UHFFFAOYSA-N	-2	3	383.231	2.955	10	0		GFAEHL
CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-]	ZINC000020302213	551115652	/nfs/dbraw/zinc/11/56/52/551115652.db2.gz	QRMCUJDWBJKWKI-WRWORJQWSA-N	-2	3	384.679	2.880	10	0		GFAEHL
CCC(=O)Oc1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc1OC	ZINC000096193569	208283756	/nfs/dbraw/zinc/28/37/56/208283756.db2.gz	JPUWOKXQWISWAZ-UHFFFAOYSA-N	-2	3	386.408	2.665	10	0		GFAEHL
Cc1nc(C=Cc2ccc([O-])c(Br)c2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000193404651	552992096	/nfs/dbraw/zinc/99/20/96/552992096.db2.gz	SYKICFNCRBJOHG-ZZXKWVIFSA-N	-3	3	379.210	2.734	10	0		GFAEHL
Cc1nc(C=Cc2ccc([O-])c(Br)c2)[nH]c(=O)c1CCC(=O)[O-]	ZINC000193404651	552992098	/nfs/dbraw/zinc/99/20/98/552992098.db2.gz	SYKICFNCRBJOHG-ZZXKWVIFSA-N	-2	3	379.210	2.734	10	0		GFAEHL