smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c([N+](=O)[O-])c1	ZINC000012526243	570830755	/nfs/dbraw/zinc/83/07/55/570830755.db2.gz	CINILRJSECCRIX-UHFFFAOYSA-N	-2	0	386.769	2.756	50	5		GFBARL
CCCn1c2ccccc2c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1=O	ZINC000018122022	570803132	/nfs/dbraw/zinc/80/31/32/570803132.db2.gz	OHRXWMHXFBWMGI-UHFFFAOYSA-N	-2	0	383.360	2.983	50	5		GFBARL
CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)O[C@H](C)C2	ZINC000012560488	570864996	/nfs/dbraw/zinc/86/49/96/570864996.db2.gz	FWAMLNBVMAHLJT-SNVBAGLBSA-N	-2	0	394.405	2.823	50	5		GFBARL
Cc1cc([O-])c(C2=NCCS[C@@H](c3cc([N+](=O)[O-])ccc3[O-])C2)c(=O)o1	ZINC000018176406	207093330	/nfs/dbraw/zinc/09/33/30/207093330.db2.gz	IZJSLDTVBGQTCL-OAHLLOKOSA-N	-2	0	376.390	2.935	50	5		GFBARL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1	ZINC000040158019	207357466	/nfs/dbraw/zinc/35/74/66/207357466.db2.gz	BMQVETIUICNKBW-UHFFFAOYSA-N	-2	0	386.769	2.756	50	5		GFBARL
Cc1cc([O-])c(C(c2ccccc2[N+](=O)[O-])c2c([O-])cc(C)oc2=O)c(=O)o1	ZINC000096346832	209014087	/nfs/dbraw/zinc/01/40/87/209014087.db2.gz	DWWAYEPJVNLNIA-UHFFFAOYSA-N	-2	0	385.328	2.709	50	5		GFBARL
COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000020219073	551115668	/nfs/dbraw/zinc/11/56/68/551115668.db2.gz	URCABQMJNIGXHJ-UHFFFAOYSA-N	-2	0	386.769	2.756	50	5		GFBARL
O=C([O-])c1ccc(N2C(=O)c3cccc4c3c(cc([O-])c4[N+](=O)[O-])C2=O)cc1	ZINC000001072068	206349734	/nfs/dbraw/zinc/34/97/34/206349734.db2.gz	GYGXHUBBHPKQNQ-UHFFFAOYSA-N	-2	0	378.296	2.952	50	5		GFBARL
O=C([O-])c1cc(NC(=O)CSc2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000004744612	570959932	/nfs/dbraw/zinc/95/99/32/570959932.db2.gz	IQOZTDPCJGPXQQ-UHFFFAOYSA-N	-2	0	376.346	2.722	50	5		GFBARL
Cc1cc([O-])c(C2=NCCS[C@H](c3cc([N+](=O)[O-])ccc3[O-])C2)c(=O)o1	ZINC000017730048	210212205	/nfs/dbraw/zinc/21/22/05/210212205.db2.gz	IZJSLDTVBGQTCL-HNNXBMFYSA-N	-2	0	376.390	2.935	50	5		GFBARL
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000003884783	551094490	/nfs/dbraw/zinc/09/44/90/551094490.db2.gz	AHLPHWFEPUMSIJ-UHFFFAOYSA-N	-2	0	386.769	2.756	50	5		GFBARL
O=C([O-])c1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1	ZINC000002873760	209392873	/nfs/dbraw/zinc/39/28/73/209392873.db2.gz	STFCMMYSSNBQMU-UHFFFAOYSA-N	-2	0	390.373	2.863	50	5		GFBARL
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000003185235	551092296	/nfs/dbraw/zinc/09/22/96/551092296.db2.gz	TZMFIIMOMHBWII-UHFFFAOYSA-N	-2	0	386.769	2.756	50	5		GFBARL
Cc1cc([O-])c(C2=NCCS[C@@H](c3ccc([O-])c([N+](=O)[O-])c3)C2)c(=O)o1	ZINC000018054307	221386098	/nfs/dbraw/zinc/38/60/98/221386098.db2.gz	LUEATPBAHKASEA-OAHLLOKOSA-N	-2	0	376.390	2.935	50	5		GFBARL
CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1=O	ZINC000100502062	570374099	/nfs/dbraw/zinc/37/40/99/570374099.db2.gz	KKTXISRIZJEUNZ-UHFFFAOYSA-N	-2	0	383.360	2.983	50	5		GFBARL
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)o1	ZINC000009295553	204306263	/nfs/dbraw/zinc/30/62/63/204306263.db2.gz	JUOIKDRTFIWTTG-FNORWQNLSA-N	-3	0	383.316	2.821	50	5		GFBARL
Cc1cc([O-])c(C2=NCCS[C@H](c3ccc([O-])c([N+](=O)[O-])c3)C2)c(=O)o1	ZINC000017731050	570707473	/nfs/dbraw/zinc/70/74/73/570707473.db2.gz	LUEATPBAHKASEA-HNNXBMFYSA-N	-2	0	376.390	2.935	50	5		GFBARL
COC(=O)c1cc(=O)c2ccc3c(ccc4c(=O)cc(C(=O)OC)[n-]c43)c2[n-]1	ZINC000039221248	205040142	/nfs/dbraw/zinc/04/01/42/205040142.db2.gz	OYDATSSHXGPEOO-UHFFFAOYSA-N	-2	0	378.340	2.508	50	5		GFBARL
CCCn1c2ccccc2c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1=O	ZINC000100502061	570374018	/nfs/dbraw/zinc/37/40/18/570374018.db2.gz	LHZNBHFBWNULBU-UHFFFAOYSA-N	-2	0	383.360	2.983	50	5		GFBARL
CCOC(=O)c1cccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)c1	ZINC000015009354	207040146	/nfs/dbraw/zinc/04/01/46/207040146.db2.gz	YJANCXWFMHCUGK-VQHVLOKHSA-N	-2	0	397.343	2.991	50	5		GFBARL
O=C([O-])c1c([N+](=O)[O-])c([O-])cc(Sc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000100933264	211394163	/nfs/dbraw/zinc/39/41/63/211394163.db2.gz	LKCDEYPTDFGOBX-UHFFFAOYSA-N	-2	0	381.278	2.966	50	5		GFBARL
COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000012912806	210028055	/nfs/dbraw/zinc/02/80/55/210028055.db2.gz	ATPXHISOQJGSNJ-UHFFFAOYSA-N	-2	0	386.769	2.541	50	5		GFBARL
CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1=O	ZINC000006511038	570463213	/nfs/dbraw/zinc/46/32/13/570463213.db2.gz	DSZNOGCDSOIKKK-UHFFFAOYSA-N	-2	0	383.360	2.983	50	5		GFBARL
Cc1cc([O-])c(C(c2cccc([N+](=O)[O-])c2)c2c([O-])cc(C)oc2=O)c(=O)o1	ZINC000095626587	222359884	/nfs/dbraw/zinc/35/98/84/222359884.db2.gz	BIIKTLDVBFVWLX-UHFFFAOYSA-N	-2	0	385.328	2.709	50	5		GFBARL
CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)O[C@@H](C)C2	ZINC000012560490	570865298	/nfs/dbraw/zinc/86/52/98/570865298.db2.gz	FWAMLNBVMAHLJT-JTQLQIEISA-N	-2	0	394.405	2.823	50	5		GFBARL