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+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000003884712	204113329	/nfs/dbraw/zinc/11/33/29/204113329.db2.gz	YLLPJSJHTNHCRY-UHFFFAOYSA-N	-2	0	352.324	2.102	50	5		FEBARL
CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000328595874	553794670	/nfs/dbraw/zinc/79/46/70/553794670.db2.gz	HYVFRYUZSKALBU-UHFFFAOYSA-N	-2	0	366.351	2.493	50	5		FEBARL
O=C([O-])c1cccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)c1	ZINC000013592481	539588486	/nfs/dbraw/zinc/58/84/86/539588486.db2.gz	LFLKMCIKENDCDD-GQCTYLIASA-N	-2	0	369.289	2.100	50	5		FEBARL
COC(=O)c1cc(=O)c2cc3c(=O)cc(C(=O)OC)[n-]c3c(Cl)c2[n-]1	ZINC000039221272	208208735	/nfs/dbraw/zinc/20/87/35/208208735.db2.gz	LHMHSLDEBIORIK-UHFFFAOYSA-N	-2	0	362.725	2.421	50	5		FEBARL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C	ZINC000009220080	539499593	/nfs/dbraw/zinc/49/95/93/539499593.db2.gz	FEZYUYRTBOSPRA-UHFFFAOYSA-N	-2	0	366.351	2.411	50	5		FEBARL
COc1ccc(-c2nn(CCC(=O)[O-])cc2/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000003272980	539361919	/nfs/dbraw/zinc/36/19/19/539361919.db2.gz	LZEFLFWBENHMTL-HWKANZROSA-N	-2	0	361.310	2.039	50	5		FEBARL
O=C([O-])c1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000002949343	210440199	/nfs/dbraw/zinc/44/01/99/210440199.db2.gz	ICJMFCMGFRZFMN-UHFFFAOYSA-N	-2	0	360.278	2.009	50	5		FEBARL
Cn1c2ccccc2c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1=O	ZINC000000887921	210285768	/nfs/dbraw/zinc/28/57/68/210285768.db2.gz	DDKBEDLQMNMQFZ-UHFFFAOYSA-N	-2	0	355.306	2.110	50	5		FEBARL
O=C([O-])c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000002979200	539357557	/nfs/dbraw/zinc/35/75/57/539357557.db2.gz	ULYRGXGHGRCCCT-UHFFFAOYSA-N	-2	0	360.278	2.009	50	5		FEBARL
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000003239395	539360794	/nfs/dbraw/zinc/36/07/94/539360794.db2.gz	YSLCCHPORMJMFG-UHFFFAOYSA-N	-2	0	352.324	2.102	50	5		FEBARL
COc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000002368284	210393341	/nfs/dbraw/zinc/39/33/41/210393341.db2.gz	BKPZLRSAFCHSHF-UHFFFAOYSA-N	-2	0	360.278	2.252	50	5		FEBARL
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000003239398	539361062	/nfs/dbraw/zinc/36/10/62/539361062.db2.gz	DSCVEQRADREGEE-UHFFFAOYSA-N	-2	0	370.314	2.242	50	5		FEBARL
Cn1c2ccccc2c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1=O	ZINC000017161084	220206547	/nfs/dbraw/zinc/20/65/47/220206547.db2.gz	LSUVZSOGXSREBM-UHFFFAOYSA-N	-2	0	355.306	2.110	50	5		FEBARL
O=[N+]([O-])c1cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c([O-])c([N+](=O)[O-])c1	ZINC000068564159	221316628	/nfs/dbraw/zinc/31/66/28/221316628.db2.gz	LJGKEHHBUDLIBA-UHFFFAOYSA-N	-2	0	366.198	2.398	50	5		FEBARL
O=C([O-])c1cc([N+](=O)[O-])c(Nc2ccc(O)c(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000004015449	539375517	/nfs/dbraw/zinc/37/55/17/539375517.db2.gz	GPOPWEAQNPHHJV-UHFFFAOYSA-N	-2	0	363.238	2.349	50	5		FEBARL
Cn1c2ccccc2c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1=O	ZINC000100454801	222244502	/nfs/dbraw/zinc/24/45/02/222244502.db2.gz	HNIHDLSPPIOXPI-UHFFFAOYSA-N	-2	0	355.306	2.110	50	5		FEBARL
O=C([O-])c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1	ZINC000002948696	204070320	/nfs/dbraw/zinc/07/03/20/204070320.db2.gz	VARRAWOWMGIGIF-UHFFFAOYSA-N	-2	0	360.278	2.009	50	5		FEBARL
O=C([O-])c1ccccc1-c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])o1	ZINC000004727223	204158721	/nfs/dbraw/zinc/15/87/21/204158721.db2.gz	XHNFNUMONNFFCJ-FNORWQNLSA-N	-2	0	369.289	2.100	50	5		FEBARL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000013026845	206299928	/nfs/dbraw/zinc/29/99/28/206299928.db2.gz	QKMVAWDSOSVRLZ-UHFFFAOYSA-N	-2	0	352.324	2.102	50	5		FEBARL
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000023818990	220436048	/nfs/dbraw/zinc/43/60/48/220436048.db2.gz	QBEUNVFFFJVENW-UHFFFAOYSA-N	-2	0	358.353	2.164	50	5		FEBARL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000036383918	204379148	/nfs/dbraw/zinc/37/91/48/204379148.db2.gz	VYTXLLXFPDNWBF-UHFFFAOYSA-N	-2	0	352.324	2.102	50	5		FEBARL
CCCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])n(CC)c21	ZINC000003782807	204110708	/nfs/dbraw/zinc/11/07/08/204110708.db2.gz	RQTOOFIXOKYGAN-UHFFFAOYSA-N	-2	0	371.345	2.477	50	5	fda	FEBARL
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000009338364	539501465	/nfs/dbraw/zinc/50/14/65/539501465.db2.gz	XEIKGSOHUNVFHG-UHFFFAOYSA-N	-2	0	366.351	2.411	50	5		FEBARL
O=C([O-])c1cccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)c1	ZINC000030840491	208005906	/nfs/dbraw/zinc/00/59/06/208005906.db2.gz	LFLKMCIKENDCDD-XQRVVYSFSA-N	-2	0	369.289	2.100	50	5		FEBARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C	ZINC000005150734	209503624	/nfs/dbraw/zinc/50/36/24/209503624.db2.gz	QIBYCNOVQSWUHR-UHFFFAOYSA-N	-2	0	366.351	2.411	50	5		FEBARL
O=C([O-])c1ccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)cc1	ZINC000005069030	207079067	/nfs/dbraw/zinc/07/90/67/207079067.db2.gz	NLQRAZINIHICHF-FNORWQNLSA-N	-2	0	369.289	2.100	50	5		FEBARL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000078797013	542481658	/nfs/dbraw/zinc/48/16/58/542481658.db2.gz	ZEKAACLQUHAPFG-UHFFFAOYSA-N	-2	0	366.351	2.411	50	5		FEBARL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000042122874	540052325	/nfs/dbraw/zinc/05/23/25/540052325.db2.gz	PUIGCBKHGOTWED-UHFFFAOYSA-N	-2	0	352.324	2.102	50	5		FEBARL
Cn1c2ccccc2c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1=O	ZINC000017179838	220209525	/nfs/dbraw/zinc/20/95/25/220209525.db2.gz	CMZGVDCHRQIEKD-UHFFFAOYSA-N	-2	0	355.306	2.110	50	5		FEBARL