smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)Oc1ccccc1	ZINC000738130870	945213702	/nfs/dbraw/zinc/21/37/02/945213702.db2.gz	YAINJXNTKMWTBY-UHFFFAOYSA-N	-2	1	375.295	0.695	20	50		GCGDML
O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)Oc1ccccc1	ZINC000738130870	945213707	/nfs/dbraw/zinc/21/37/07/945213707.db2.gz	YAINJXNTKMWTBY-UHFFFAOYSA-N	-2	1	375.295	0.695	20	50		GCGDML
CCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC	ZINC000736998562	978371328	/nfs/dbraw/zinc/37/13/28/978371328.db2.gz	MBPBEPRYQYJFQO-UHFFFAOYSA-N	-3	1	379.416	0.526	20	50		GCGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br	ZINC000737349999	978398923	/nfs/dbraw/zinc/39/89/23/978398923.db2.gz	OMJJSEISNDVAMA-UHFFFAOYSA-N	-3	1	384.183	0.751	20	50		GCGDML
O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][N-]C(=O)N1CCOCC1	ZINC000740121939	978669898	/nfs/dbraw/zinc/66/98/98/978669898.db2.gz	VPVOWBFNASOQRV-UHFFFAOYSA-N	-3	1	397.331	0.639	20	50		GCGDML
O=C([O-])c1ccc(S(=O)(=O)N[N-]C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000833323387	979158664	/nfs/dbraw/zinc/15/86/64/979158664.db2.gz	JQEWENVHNGRVEP-UHFFFAOYSA-N	-3	1	381.322	0.622	20	50		GCGDML
CCCCNC(=O)NNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC001595758641	982462673	/nfs/dbraw/zinc/46/26/73/982462673.db2.gz	FKUJDEOLAIXAOX-UHFFFAOYSA-N	-2	1	375.385	0.537	20	50		GCGDML
CC(=NNC(=O)CSc1n[nH]c(=O)[n-]c1=O)c1ccc(-c2nn[n-]n2)s1	ZINC000823948465	608094396	/nfs/dbraw/zinc/09/43/96/608094396.db2.gz	OCMOFSYQKVRETJ-UHFFFAOYSA-N	-2	1	393.414	0.157	20	50		GCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F	ZINC000737123757	978380282	/nfs/dbraw/zinc/38/02/82/978380282.db2.gz	GLYOKBLZCJAWQF-UHFFFAOYSA-N	-3	1	384.183	0.799	20	50		GCGDML
C[C@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000842592482	979320584	/nfs/dbraw/zinc/32/05/84/979320584.db2.gz	MATMMQJCIOBULH-RNFRBKRXSA-N	-3	1	380.781	0.912	20	50		GCGDML
C[C@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001594642995	986812366	/nfs/dbraw/zinc/81/23/66/986812366.db2.gz	BRGLNQIPSOJEII-RQJHMYQMSA-N	-3	1	380.781	0.912	20	50		GCGDML
C[C@@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC001594645430	986837238	/nfs/dbraw/zinc/83/72/38/986837238.db2.gz	RRAVKRAYBODXOW-XPUUQOCRSA-N	-3	1	380.781	0.912	20	50		GCGDML
CC(C)(C)OC(=O)CN(CCC(=O)[O-])CC(=O)N[N-]C(=O)c1cccs1	ZINC001589882839	988559243	/nfs/dbraw/zinc/55/92/43/988559243.db2.gz	KCOUVIUURGSYFF-UHFFFAOYSA-N	-2	1	385.442	0.628	20	50		GCGDML
COc1cc(C)c(Br)cc1S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-]	ZINC001599389985	997015418	/nfs/dbraw/zinc/01/54/18/997015418.db2.gz	OMSRLHHSCZNXBS-UHFFFAOYSA-N	-3	1	396.219	0.343	20	50		GCGDML
O=C([O-])c1nscc1S(=O)(=O)[N-]NC(=O)c1ccc(Cl)cc1[O-]	ZINC000833148299	601837118	/nfs/dbraw/zinc/83/71/18/601837118.db2.gz	HDASDIZCSAHCOB-UHFFFAOYSA-N	-3	1	377.787	0.824	20	50		GCGDML
Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000826260153	607715263	/nfs/dbraw/zinc/71/52/63/607715263.db2.gz	YVBPMQOXUSFJJH-UHFFFAOYSA-N	-2	1	379.340	0.681	20	50		GCGDML
COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCc2ccco2)c(OC)c1C(=O)[O-]	ZINC000833734134	604861273	/nfs/dbraw/zinc/86/12/73/604861273.db2.gz	JDUNVRNFOLUBEU-UHFFFAOYSA-N	-3	1	399.381	0.688	20	50		GCGDML
COc1ccc(-c2cc(C(=O)[N-]NC(=O)CCNC(=O)[O-])n[nH]2)cc1OC	ZINC000829235162	604939287	/nfs/dbraw/zinc/93/92/87/604939287.db2.gz	ZXEUOQSJXZEFEG-UHFFFAOYSA-N	-2	1	377.357	0.513	20	50		GCGDML
COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1Br	ZINC000833734127	605600256	/nfs/dbraw/zinc/60/02/56/605600256.db2.gz	IQXXJYZXUCUHMG-UHFFFAOYSA-N	-3	1	382.192	0.035	20	50		GCGDML
O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000826446089	608578105	/nfs/dbraw/zinc/57/81/05/608578105.db2.gz	ZFFLSPLYMZFEDX-UHFFFAOYSA-N	-2	1	377.708	0.681	20	50		GCGDML
O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nn(-c2ccccc2)cc1[O-]	ZINC000738133977	945215196	/nfs/dbraw/zinc/21/51/96/945215196.db2.gz	BCNKMIBTWGOXTD-UHFFFAOYSA-N	-3	1	391.351	0.228	20	50		GCGDML
O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nn(-c2ccccc2)cc1[O-]	ZINC000738133977	945215203	/nfs/dbraw/zinc/21/52/03/945215203.db2.gz	BCNKMIBTWGOXTD-UHFFFAOYSA-N	-3	1	391.351	0.228	20	50		GCGDML
O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(-c2ccccc2)on1	ZINC000738137335	945244542	/nfs/dbraw/zinc/24/45/42/945244542.db2.gz	UHGYMXXQTWOVIF-UHFFFAOYSA-N	-2	1	376.336	0.992	20	50		GCGDML
O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc(-c2ccccc2)on1	ZINC000738137335	945244553	/nfs/dbraw/zinc/24/45/53/945244553.db2.gz	UHGYMXXQTWOVIF-UHFFFAOYSA-N	-2	1	376.336	0.992	20	50		GCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br	ZINC000737123991	978380867	/nfs/dbraw/zinc/38/08/67/978380867.db2.gz	QHIIVXIVHGYCBA-UHFFFAOYSA-N	-3	1	384.183	0.799	20	50		GCGDML
COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c1	ZINC001598934770	997842198	/nfs/dbraw/zinc/84/21/98/997842198.db2.gz	RLMSNFSPESESAY-UHFFFAOYSA-N	-3	1	379.778	0.012	20	50		GCGDML
O=C([O-])Cn1cc(S(=O)(=O)[N-][N-]C(=O)c2c(Cl)cccc2Cl)cn1	ZINC000833274589	600680376	/nfs/dbraw/zinc/68/03/76/600680376.db2.gz	GKYDXUHGFDREFP-UHFFFAOYSA-N	-3	1	393.208	0.898	20	50		GCGDML
Cc1cccc(S(=O)(=O)N[N-]C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1C(=O)[O-]	ZINC000832973173	600691675	/nfs/dbraw/zinc/69/16/75/600691675.db2.gz	YEFMKWZWRQDVJH-UHFFFAOYSA-N	-3	1	395.349	0.930	20	50		GCGDML
COc1cc[n-]c(=NNC(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)n1	ZINC000832637139	601154298	/nfs/dbraw/zinc/15/42/98/601154298.db2.gz	JIEHWFWEQIWTLO-SECBINFHSA-N	-2	1	392.397	0.677	20	50		GCGDML
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][N-]C(=O)NCc1ccco1	ZINC000831939380	601202871	/nfs/dbraw/zinc/20/28/71/601202871.db2.gz	KXPPBCQTRYHENW-UHFFFAOYSA-N	-3	1	375.384	0.741	20	50		GCGDML
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)Cc3ccncc3)cc2)[n-]1	ZINC000833266294	601293587	/nfs/dbraw/zinc/29/35/87/601293587.db2.gz	LJJIVRFOUHXVDI-UHFFFAOYSA-N	-2	1	395.375	0.191	20	50		GCGDML
O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1F	ZINC000823281401	606163606	/nfs/dbraw/zinc/16/36/06/606163606.db2.gz	RULXVYDJJSKZAC-UHFFFAOYSA-N	-2	1	397.779	0.678	20	50		GCGDML
O=C(Cc1ccccn1)[N-][N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000823115416	946319621	/nfs/dbraw/zinc/31/96/21/946319621.db2.gz	NOTXYZJOYNCGHP-UHFFFAOYSA-N	-2	1	395.351	0.092	20	50		GCGDML
Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NNc1ncccc1C(=O)[O-]	ZINC001594444944	959318563	/nfs/dbraw/zinc/31/85/63/959318563.db2.gz	FUVPHWVJMQGJFC-UHFFFAOYSA-N	-2	1	380.364	0.919	20	50		GCGDML
O=C([O-])[C@@]1(C(=O)N[N-]C(=O)c2cc(F)ccc2Br)CCCO1	ZINC001605814558	972535584	/nfs/dbraw/zinc/53/55/84/972535584.db2.gz	HBHQWBPJHSWKSB-ZDUSSCGKSA-N	-2	1	375.150	0.983	20	50		GCGDML
O=C([O-])CN1CCC[C@H](C(=O)N[N-]C(=O)c2cc(-c3cccs3)[nH]n2)C1=O	ZINC001606253602	973576259	/nfs/dbraw/zinc/57/62/59/973576259.db2.gz	TUJASAHNOXQNDY-SECBINFHSA-N	-2	1	391.409	0.222	20	50		GCGDML
COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)c(C(=O)[O-])s1	ZINC000737679907	978429073	/nfs/dbraw/zinc/42/90/73/978429073.db2.gz	DQOBQEDLRVIPIQ-UHFFFAOYSA-N	-3	1	377.400	0.135	20	50		GCGDML
COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)c(C(=O)[O-])s1	ZINC000737681802	978430146	/nfs/dbraw/zinc/43/01/46/978430146.db2.gz	VFIFTRHNCPEMPC-UHFFFAOYSA-N	-3	1	391.427	0.668	20	50		GCGDML
COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)c(C(=O)[O-])s1	ZINC000737682305	978430157	/nfs/dbraw/zinc/43/01/57/978430157.db2.gz	ZKQVFCDUONVTAO-UHFFFAOYSA-N	-3	1	399.406	0.180	20	50		GCGDML
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)Cc3ccccn3)cc2)[n-]1	ZINC000739877867	978657801	/nfs/dbraw/zinc/65/78/01/978657801.db2.gz	SNNFURIEAGGAKP-UHFFFAOYSA-N	-2	1	395.375	0.191	20	50		GCGDML
Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)n[nH]2)cc1	ZINC001605232300	972985094	/nfs/dbraw/zinc/98/50/94/972985094.db2.gz	ZGJZXPTWPZNBDO-CYBMUJFWSA-N	-2	1	399.407	0.469	20	50		GCGDML
COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c(C(=O)[O-])s1	ZINC000737681108	978430004	/nfs/dbraw/zinc/43/00/04/978430004.db2.gz	PSORCBBJAGAXRL-UHFFFAOYSA-N	-3	1	399.406	0.180	20	50		GCGDML
C[C@@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000842592480	979321279	/nfs/dbraw/zinc/32/12/79/979321279.db2.gz	MATMMQJCIOBULH-BQBZGAKWSA-N	-3	1	380.781	0.912	20	50		GCGDML
C[C@@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000842592481	979321637	/nfs/dbraw/zinc/32/16/37/979321637.db2.gz	MATMMQJCIOBULH-NKWVEPMBSA-N	-3	1	380.781	0.912	20	50		GCGDML
C[C@@H]1C[C@H](C(=O)N[N-]C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)O[C@H]1C(=O)[O-]	ZINC001599876250	989423005	/nfs/dbraw/zinc/42/30/05/989423005.db2.gz	YUQSGNKHDSXXRM-GFWSLJDESA-N	-2	1	376.344	0.855	20	50		GCGDML
COc1ccc([C@H](NCC(=O)N[N-]C(=O)c2cccs2)C(=O)[O-])cc1O	ZINC001599528401	997604656	/nfs/dbraw/zinc/60/46/56/997604656.db2.gz	UTNHKXLPTXIKDJ-AWEZNQCLSA-N	-2	1	379.394	0.639	20	50		GCGDML
COc1cc(S(=O)(=O)N[N-]C(=O)c2n[nH]c3c2CCCC3)ccc1C(=O)[O-]	ZINC001599459567	998248218	/nfs/dbraw/zinc/24/82/18/998248218.db2.gz	GVDBDHIGJMQCQM-UHFFFAOYSA-N	-2	1	394.409	0.619	20	50		GCGDML
Cc1ccc(C(=O)[N-]NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)o1	ZINC000832912083	601755451	/nfs/dbraw/zinc/75/54/51/601755451.db2.gz	UDINTADULJQWAH-UHFFFAOYSA-N	-3	1	384.348	0.769	20	50		GCGDML
CCOc1cc(C(=O)NN=c2ccc(C(N)=O)n[n-]2)ccc1OCC(=O)[O-]	ZINC000830037440	601817970	/nfs/dbraw/zinc/81/79/70/601817970.db2.gz	FIVGPMWGDBNERK-UHFFFAOYSA-N	-2	1	375.341	0.195	20	50		GCGDML
CCCc1n[n-]c(=S)n1CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1	ZINC000825352705	608571719	/nfs/dbraw/zinc/57/17/19/608571719.db2.gz	PHBBKXVOLFOBJE-UHFFFAOYSA-N	-2	1	394.852	0.891	20	50		GCGDML
COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[N-]C(=O)c2cccc(C)n2)c1	ZINC001599281024	996895958	/nfs/dbraw/zinc/89/59/58/996895958.db2.gz	MTDVKKXUIMLWGZ-UHFFFAOYSA-N	-2	1	379.394	0.858	20	50		GCGDML
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)NCc2ccco2)cc(F)c1F	ZINC000833147147	601838995	/nfs/dbraw/zinc/83/89/95/601838995.db2.gz	UVWGQQJJXZDHQZ-UHFFFAOYSA-N	-3	1	375.309	0.949	20	50		GCGDML
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)c(Cl)cc1F	ZINC000833303823	601839196	/nfs/dbraw/zinc/83/91/96/601839196.db2.gz	CREJTMNYKOTUAN-UHFFFAOYSA-N	-3	1	381.769	0.412	20	50		GCGDML
O=C(CCC1CCCCC1)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737825196	945133434	/nfs/dbraw/zinc/13/34/34/945133434.db2.gz	WEVYZKPZZSAOFN-UHFFFAOYSA-N	-2	1	379.446	0.932	20	50		GCGDML
O=C(N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc2ncccc21	ZINC000738134864	945224789	/nfs/dbraw/zinc/22/47/89/945224789.db2.gz	WNDPQFKAOWBENZ-UHFFFAOYSA-N	-2	1	396.392	0.433	20	50		GCGDML
CC(C)(C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1	ZINC000735580369	944674019	/nfs/dbraw/zinc/67/40/19/944674019.db2.gz	CZUJGKQARSPHGL-UHFFFAOYSA-N	-2	1	387.425	0.549	20	50		GCGDML
COC(=O)CNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000272418170	962785410	/nfs/dbraw/zinc/78/54/10/962785410.db2.gz	HKZYIOVQUOXSBS-UHFFFAOYSA-N	-3	1	399.303	0.069	20	50		GCGDML
CCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-]	ZINC000736998906	978371564	/nfs/dbraw/zinc/37/15/64/978371564.db2.gz	OYORIRHMXVXGBZ-UHFFFAOYSA-N	-3	1	379.416	0.526	20	50		GCGDML
CNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Br	ZINC000737542245	978415129	/nfs/dbraw/zinc/41/51/29/978415129.db2.gz	BYHWMUIKBFPWQT-UHFFFAOYSA-N	-3	1	386.611	0.923	20	50		GCGDML
Cc1ccc(S(=O)(=O)N[N-]C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1C(=O)[O-]	ZINC000832957974	979060720	/nfs/dbraw/zinc/06/07/20/979060720.db2.gz	WNXFTHUCUUSHPW-UHFFFAOYSA-N	-3	1	395.349	0.930	20	50		GCGDML
O=C([O-])c1ccccc1S(=O)(=O)N[N-]C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000833148109	979095780	/nfs/dbraw/zinc/09/57/80/979095780.db2.gz	BBADLDDNOQOPOR-UHFFFAOYSA-N	-3	1	381.322	0.622	20	50		GCGDML
C[C@@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001594642993	986812496	/nfs/dbraw/zinc/81/24/96/986812496.db2.gz	BRGLNQIPSOJEII-NKWVEPMBSA-N	-3	1	380.781	0.912	20	50		GCGDML
CC(C)(C)NC(=S)NNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC001589832166	988306610	/nfs/dbraw/zinc/30/66/10/988306610.db2.gz	UJQNXHOXFXRVFK-UHFFFAOYSA-N	-2	1	391.453	0.700	20	50		GCGDML
COc1ccc(Br)cc1S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-]	ZINC001599476106	998534062	/nfs/dbraw/zinc/53/40/62/998534062.db2.gz	CWBZVNBVRVTYPN-UHFFFAOYSA-N	-3	1	382.192	0.035	20	50		GCGDML
COc1cc(C)[nH]c(=NNC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)n1	ZINC000831972197	601108334	/nfs/dbraw/zinc/10/83/34/601108334.db2.gz	FTLVZIKJKJNBOR-UHFFFAOYSA-N	-2	1	398.379	0.657	20	50		GCGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1cc(Br)cc(-c2nn[nH]n2)c1	ZINC000821578251	945722198	/nfs/dbraw/zinc/72/21/98/945722198.db2.gz	VLTBRBRUFDBDOT-UHFFFAOYSA-N	-2	1	390.223	0.094	20	50		GCGDML
Cc1ccc(C(=O)N[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)o1	ZINC000822226143	946001992	/nfs/dbraw/zinc/00/19/92/946001992.db2.gz	DZSZNHXTAPCPNI-UHFFFAOYSA-N	-2	1	393.341	0.300	20	50		GCGDML
Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(CC(=O)N[N-]C(=O)c3cccs3)C2)cn1	ZINC001594539426	955618846	/nfs/dbraw/zinc/61/88/46/955618846.db2.gz	VQYSHJYRLBTIIF-RYUDHWBXSA-N	-2	1	391.453	0.433	20	50		GCGDML
CN(C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F	ZINC000737350161	978399135	/nfs/dbraw/zinc/39/91/35/978399135.db2.gz	VDRCAAWLBKDBTI-UHFFFAOYSA-N	-3	1	384.183	0.751	20	50		GCGDML
O=C([O-])Cc1ccc(S(=O)(=O)N[N-]C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000833267262	979133986	/nfs/dbraw/zinc/13/39/86/979133986.db2.gz	SNROHAVDAUTPPT-UHFFFAOYSA-N	-3	1	395.349	0.551	20	50		GCGDML
C[C@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000842592483	979320752	/nfs/dbraw/zinc/32/07/52/979320752.db2.gz	MATMMQJCIOBULH-RQJHMYQMSA-N	-3	1	380.781	0.912	20	50		GCGDML
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br	ZINC001596470896	984194991	/nfs/dbraw/zinc/19/49/91/984194991.db2.gz	NYWHBXOZBUHCLR-UHFFFAOYSA-N	-3	1	384.183	0.799	20	50		GCGDML
CC(=NNC(=O)c1cc(Br)ccc1[O-])c1cn(CC(=O)[O-])nn1	ZINC000825804607	604786721	/nfs/dbraw/zinc/78/67/21/604786721.db2.gz	ONJQWHPFJQCDJO-UHFFFAOYSA-N	-2	1	382.174	0.985	20	50		GCGDML
COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-]	ZINC000833735362	605600264	/nfs/dbraw/zinc/60/02/64/605600264.db2.gz	XLYJPJHLOYBUKD-UHFFFAOYSA-N	-3	1	388.789	0.474	20	50		GCGDML
O=C(N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1)c1ccccc1	ZINC000823280549	607154266	/nfs/dbraw/zinc/15/42/66/607154266.db2.gz	AQLWRMOKEIIXGI-UHFFFAOYSA-N	-2	1	389.353	0.398	20	50		GCGDML
O=C(N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1ccccc1	ZINC000823280549	607154267	/nfs/dbraw/zinc/15/42/67/607154267.db2.gz	AQLWRMOKEIIXGI-UHFFFAOYSA-N	-2	1	389.353	0.398	20	50		GCGDML
CSc1[nH]c(=O)c(C(=O)N[N-]C(=O)c2scnc2C)cc1-c1nn[n-]n1	ZINC000737187330	944978879	/nfs/dbraw/zinc/97/88/79/944978879.db2.gz	QHPOEPJPTOPRIN-UHFFFAOYSA-N	-2	1	392.426	0.529	20	50		GCGDML
O=C(CCc1ccco1)[N-][N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000822982630	946246031	/nfs/dbraw/zinc/24/60/31/946246031.db2.gz	FOOHYNHQULNURM-UHFFFAOYSA-N	-2	1	398.351	0.680	20	50		GCGDML
O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)c([N+](=O)[O-])c1	ZINC000739350085	978631957	/nfs/dbraw/zinc/63/19/57/978631957.db2.gz	RVVAODFAMTWJJP-UHFFFAOYSA-N	-3	1	380.338	0.240	20	50		GCGDML
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)NCc2ccco2)c(F)cc1F	ZINC000739449009	978635691	/nfs/dbraw/zinc/63/56/91/978635691.db2.gz	ZGHLONHTFSVSOY-UHFFFAOYSA-N	-3	1	375.309	0.949	20	50		GCGDML
O=C([O-])c1cccc(S(=O)(=O)N[N-]C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000833334155	600692275	/nfs/dbraw/zinc/69/22/75/600692275.db2.gz	LRLZXJOOPDFWQN-UHFFFAOYSA-N	-3	1	381.322	0.622	20	50		GCGDML
COc1ccc(CNC(=O)NNc2nc(=O)c3cnn(C)c3[n-]2)cc1C(=O)[O-]	ZINC000832335811	604573920	/nfs/dbraw/zinc/57/39/20/604573920.db2.gz	AOHDSYQUPNIEMR-UHFFFAOYSA-N	-2	1	387.356	0.602	20	50		GCGDML
O=C([O-])N1CC(NC(=O)N[N-]C(=O)c2cc(F)ccc2Br)C1	ZINC000831742477	604622256	/nfs/dbraw/zinc/62/22/56/604622256.db2.gz	HHTIGKWFVSPFPQ-UHFFFAOYSA-N	-2	1	375.154	0.894	20	50		GCGDML
O=C([N-][N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)NCc1ccco1	ZINC000826443348	609529220	/nfs/dbraw/zinc/52/92/20/609529220.db2.gz	LKGJARATENRLLI-UHFFFAOYSA-N	-2	1	397.804	0.806	20	50		GCGDML
O=C(CCCc1cccs1)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737837624	945136945	/nfs/dbraw/zinc/13/69/45/945136945.db2.gz	SCTQSGPWEMBGFB-UHFFFAOYSA-N	-2	1	393.454	0.656	20	50		GCGDML
CSc1[nH]c(=O)c(C(=O)N[N-]C(=O)c2ccc(C)o2)cc1-c1nn[n-]n1	ZINC000821979112	945912039	/nfs/dbraw/zinc/91/20/39/945912039.db2.gz	PQBBBVSHCUKSNJ-UHFFFAOYSA-N	-2	1	375.370	0.665	20	50		GCGDML
COc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])n[nH]2)cc1OC	ZINC001594070106	958175062	/nfs/dbraw/zinc/17/50/62/958175062.db2.gz	BJJVMGOOFYAVCH-GHMZBOCLSA-N	-2	1	388.380	0.966	20	50		GCGDML
COCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000269957685	962774196	/nfs/dbraw/zinc/77/41/96/962774196.db2.gz	KQFLJUIMOYHVFO-UHFFFAOYSA-N	-3	1	399.347	0.933	20	50		GCGDML
O=C([O-])C1(C(=O)N[N-]C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCOCC1	ZINC001605814767	972538844	/nfs/dbraw/zinc/53/88/44/972538844.db2.gz	RVNYHPOCYPMFMC-UHFFFAOYSA-N	-2	1	376.344	0.858	20	50		GCGDML
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)Cc3cccnc3)cc2)[n-]1	ZINC000739877815	978657732	/nfs/dbraw/zinc/65/77/32/978657732.db2.gz	RPBADZPLNCTURU-UHFFFAOYSA-N	-2	1	395.375	0.191	20	50		GCGDML
Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[N-]C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000832851973	600691837	/nfs/dbraw/zinc/69/18/37/600691837.db2.gz	LXHQZJHGYHSRMP-UHFFFAOYSA-N	-3	1	395.349	0.930	20	50		GCGDML
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000832868893	600692073	/nfs/dbraw/zinc/69/20/73/600692073.db2.gz	AQURXHPFJCHKDG-UHFFFAOYSA-N	-3	1	395.349	0.930	20	50		GCGDML
COc1cc[n-]c(=NNC(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)n1	ZINC000832637143	601154301	/nfs/dbraw/zinc/15/43/01/601154301.db2.gz	JIEHWFWEQIWTLO-VIFPVBQESA-N	-2	1	392.397	0.677	20	50		GCGDML
COc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@H](C)CC(=O)[O-])n[nH]2)cc1OC	ZINC000832116172	604282898	/nfs/dbraw/zinc/28/28/98/604282898.db2.gz	LXYTZWMNLKBAHS-SECBINFHSA-N	-2	1	376.369	0.966	20	50		GCGDML
COc1ccc(-c2cc(C(=O)[N-]NC(=O)CCCNC(=O)[O-])n[nH]2)cc1OC	ZINC000832116393	604710076	/nfs/dbraw/zinc/71/00/76/604710076.db2.gz	TVXXUEAOSMMAFY-UHFFFAOYSA-N	-2	1	391.384	0.903	20	50		GCGDML
CC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])ccc1Br	ZINC000833401547	605598335	/nfs/dbraw/zinc/59/83/35/605598335.db2.gz	WMUPHTUZYGJYPB-UHFFFAOYSA-N	-3	1	394.203	0.229	20	50		GCGDML
O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1nc2ccccc2c(=O)[n-]1	ZINC000826445824	608542729	/nfs/dbraw/zinc/54/27/29/608542729.db2.gz	MOJZWLZFOXACSC-UHFFFAOYSA-N	-2	1	383.759	0.909	20	50		GCGDML
O=C(Cn1cnc(-c2nn[n-]n2)n1)NN=c1[n-]c(-c2ccc(Cl)cc2)no1	ZINC000823132040	946326699	/nfs/dbraw/zinc/32/66/99/946326699.db2.gz	WNWSRXAGJRXQNW-UHFFFAOYSA-N	-2	1	387.751	0.305	20	50		GCGDML
Cc1onc(CC(=O)N[N-]C(=O)c2cc(-c3ccccc3)on2)c1-c1nn[n-]n1	ZINC000826348336	948070473	/nfs/dbraw/zinc/07/04/73/948070473.db2.gz	HUWSKMRLURCAKZ-UHFFFAOYSA-N	-2	1	394.351	0.822	20	50		GCGDML
Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(CC(=O)N[N-]C(=O)c3cccs3)C2)cn1	ZINC001594539420	955618753	/nfs/dbraw/zinc/61/87/53/955618753.db2.gz	VQYSHJYRLBTIIF-NEPJUHHUSA-N	-2	1	391.453	0.433	20	50		GCGDML
O=C([O-])CN1CCC[C@@H](C(=O)N[N-]C(=O)c2cc(-c3cccs3)[nH]n2)C1=O	ZINC001606253603	973577236	/nfs/dbraw/zinc/57/72/36/973577236.db2.gz	TUJASAHNOXQNDY-VIFPVBQESA-N	-2	1	391.409	0.222	20	50		GCGDML
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)NCC1CC1	ZINC000737718384	978438168	/nfs/dbraw/zinc/43/81/68/978438168.db2.gz	QZOFTZDHYDWWIB-UHFFFAOYSA-N	-3	1	377.400	0.135	20	50		GCGDML
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)c2cccs2)cs1	ZINC000751281056	978691991	/nfs/dbraw/zinc/69/19/91/978691991.db2.gz	YLVKXSBJQMWEKR-UHFFFAOYSA-N	-3	1	389.436	0.247	20	50		GCGDML
C[C@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001594642994	986811927	/nfs/dbraw/zinc/81/19/27/986811927.db2.gz	BRGLNQIPSOJEII-RNFRBKRXSA-N	-3	1	380.781	0.912	20	50		GCGDML
C[C@@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001594642992	986812276	/nfs/dbraw/zinc/81/22/76/986812276.db2.gz	BRGLNQIPSOJEII-BQBZGAKWSA-N	-3	1	380.781	0.912	20	50		GCGDML
C[C@@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC001594645428	986837803	/nfs/dbraw/zinc/83/78/03/986837803.db2.gz	RRAVKRAYBODXOW-POYBYMJQSA-N	-3	1	380.781	0.912	20	50		GCGDML
COc1ccc([C@@H](NCC(=O)N[N-]C(=O)c2cccs2)C(=O)[O-])cc1O	ZINC001599528405	997604956	/nfs/dbraw/zinc/60/49/56/997604956.db2.gz	UTNHKXLPTXIKDJ-CQSZACIVSA-N	-2	1	379.394	0.639	20	50		GCGDML
COc1cc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])ccc1Br	ZINC001599460966	998272365	/nfs/dbraw/zinc/27/23/65/998272365.db2.gz	IUQBYRWURWENNE-UHFFFAOYSA-N	-3	1	382.192	0.035	20	50		GCGDML
O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)c(Cl)cc1Cl	ZINC000833304188	601328246	/nfs/dbraw/zinc/32/82/46/601328246.db2.gz	SLTMVMQJZMJCQA-UHFFFAOYSA-N	-3	1	398.224	0.927	20	50		GCGDML
C[N-]S(=O)(=O)c1cc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)co1	ZINC000826090705	608573263	/nfs/dbraw/zinc/57/32/63/608573263.db2.gz	LNGNOFRBTGPBPE-UHFFFAOYSA-N	-2	1	398.792	0.173	20	50		GCGDML
O=C(CCCc1ccccc1)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737838007	945136377	/nfs/dbraw/zinc/13/63/77/945136377.db2.gz	WZUCZACUJKCQJO-UHFFFAOYSA-N	-2	1	387.425	0.594	20	50		GCGDML
Cc1ccc(C(=O)[N-]NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)o1	ZINC000822226316	946006223	/nfs/dbraw/zinc/00/62/23/946006223.db2.gz	MENJOWQPKCDKJD-UHFFFAOYSA-N	-2	1	385.384	0.879	20	50		GCGDML
Cc1onc(CC(=O)N[N-]C(=O)C(F)(F)Oc2ccccc2)c1-c1nnn[n-]1	ZINC000826347821	948060241	/nfs/dbraw/zinc/06/02/41/948060241.db2.gz	HQRWYAHHPUMONQ-UHFFFAOYSA-N	-2	1	393.310	0.525	20	50		GCGDML
Cc1onc(CC(=O)N[N-]C(=O)C(F)(F)Oc2ccccc2)c1-c1nn[n-]n1	ZINC000826347821	948060252	/nfs/dbraw/zinc/06/02/52/948060252.db2.gz	HQRWYAHHPUMONQ-UHFFFAOYSA-N	-2	1	393.310	0.525	20	50		GCGDML
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(CC(=O)N[N-]C(=O)c3cccs3)C2)cn1	ZINC001594539428	955618396	/nfs/dbraw/zinc/61/83/96/955618396.db2.gz	VQYSHJYRLBTIIF-VXGBXAGGSA-N	-2	1	391.453	0.433	20	50		GCGDML
O=C([O-])Cn1cccc(C(=O)NNC(=O)c2cc3ccccc3cc2[O-])c1=O	ZINC001574748525	957719065	/nfs/dbraw/zinc/71/90/65/957719065.db2.gz	TXGWCBJODBAVTH-UHFFFAOYSA-N	-2	1	381.344	0.867	20	50		GCGDML
O=C([O-])c1csc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)c2cccs2)c1	ZINC000751279067	978691970	/nfs/dbraw/zinc/69/19/70/978691970.db2.gz	GOTXQKOVNYIDNM-UHFFFAOYSA-N	-3	1	389.436	0.247	20	50		GCGDML
CS(=O)(=O)SCCNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1	ZINC001599762378	992140037	/nfs/dbraw/zinc/14/00/37/992140037.db2.gz	NEEFHVUBGTZLLM-UHFFFAOYSA-N	-2	1	399.450	0.215	20	50		GCGDML
Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000826260112	607341741	/nfs/dbraw/zinc/34/17/41/607341741.db2.gz	WTWZLIQFRLTKHN-UHFFFAOYSA-N	-2	1	379.340	0.681	20	50		GCGDML
O=C([O-])C1(C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)CCS(=O)(=O)CC1	ZINC001594782919	953650154	/nfs/dbraw/zinc/65/01/54/953650154.db2.gz	NPNPGTMSUDAXHZ-UHFFFAOYSA-N	-2	1	392.792	0.520	20	50		GCGDML
Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H]3CCCN(CC(=O)[O-])C3=O)n[nH]2)cc1	ZINC001605232311	972984612	/nfs/dbraw/zinc/98/46/12/972984612.db2.gz	ZGJZXPTWPZNBDO-ZDUSSCGKSA-N	-2	1	399.407	0.469	20	50		GCGDML
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)Cc1ccccn1	ZINC000737717784	978437943	/nfs/dbraw/zinc/43/79/43/978437943.db2.gz	OEOFUHWXAIFLTR-UHFFFAOYSA-N	-3	1	399.406	0.180	20	50		GCGDML
Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000832992182	601195137	/nfs/dbraw/zinc/19/51/37/601195137.db2.gz	AMECUCHOJWYTLY-UHFFFAOYSA-N	-2	1	386.393	0.869	20	50		GCGDML
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1Cl	ZINC000833398459	605598523	/nfs/dbraw/zinc/59/85/23/605598523.db2.gz	JNYFMAUPQOGHGC-UHFFFAOYSA-N	-3	1	382.757	0.015	20	50		GCGDML
O=C(Cn1ccc2ccccc21)N[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000737987102	945172411	/nfs/dbraw/zinc/17/24/11/945172411.db2.gz	REMRHPBFQFHYSK-UHFFFAOYSA-N	-2	1	398.408	0.226	20	50		GCGDML
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)NC1CCCC1	ZINC000737717082	978438186	/nfs/dbraw/zinc/43/81/86/978438186.db2.gz	HJBAYHAYPGAGPA-UHFFFAOYSA-N	-3	1	391.427	0.668	20	50		GCGDML
COC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1C(F)(F)F	ZINC001598989412	998722706	/nfs/dbraw/zinc/72/27/06/998722706.db2.gz	UWRLMSCEHIKWCL-UHFFFAOYSA-N	-3	1	399.303	0.069	20	50		GCGDML
O=C([O-])c1cn(CC(=O)N[N-]C(=O)c2cc(F)ccc2Br)nn1	ZINC000833120924	601282531	/nfs/dbraw/zinc/28/25/31/601282531.db2.gz	JPZURYJSEVSICL-UHFFFAOYSA-N	-2	1	386.137	0.339	20	50		GCGDML
COc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H](C)CC(=O)[O-])n[nH]2)cc1OC	ZINC000832116174	604282915	/nfs/dbraw/zinc/28/29/15/604282915.db2.gz	LXYTZWMNLKBAHS-VIFPVBQESA-N	-2	1	376.369	0.966	20	50		GCGDML
Cc1cc(C(=O)NNc2nc(=O)c3cnn(C)c3[n-]2)cc(C)c1OCC(=O)[O-]	ZINC000832864748	604740361	/nfs/dbraw/zinc/74/03/61/604740361.db2.gz	UFLIFERSIWRVER-UHFFFAOYSA-N	-2	1	386.368	0.906	20	50		GCGDML
O=C(N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCCC1	ZINC000823280568	607154290	/nfs/dbraw/zinc/15/42/90/607154290.db2.gz	BNCXDKAJNIVEFS-UHFFFAOYSA-N	-2	1	381.374	0.275	20	50		GCGDML
O=C([N-][N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)NCc1ccco1	ZINC000738123011	945193408	/nfs/dbraw/zinc/19/34/08/945193408.db2.gz	CYYPWEUAWIJGJZ-UHFFFAOYSA-N	-2	1	381.349	0.292	20	50		GCGDML
Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(CC(=O)N[N-]C(=O)c3cccs3)C2)cn1	ZINC001594539421	955618370	/nfs/dbraw/zinc/61/83/70/955618370.db2.gz	VQYSHJYRLBTIIF-NWDGAFQWSA-N	-2	1	391.453	0.433	20	50		GCGDML
O=C([O-])[C@]1(C(=O)N[N-]C(=O)c2cc(F)ccc2Br)CCCO1	ZINC001605814557	972535307	/nfs/dbraw/zinc/53/53/07/972535307.db2.gz	HBHQWBPJHSWKSB-CYBMUJFWSA-N	-2	1	375.150	0.983	20	50		GCGDML
C[C@H]1OCC[C@@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC001594645429	986837408	/nfs/dbraw/zinc/83/74/08/986837408.db2.gz	RRAVKRAYBODXOW-SVRRBLITSA-N	-3	1	380.781	0.912	20	50		GCGDML
C[C@H]1OCC[C@H]1C(=O)[N-][N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F	ZINC001594645426	986837657	/nfs/dbraw/zinc/83/76/57/986837657.db2.gz	RRAVKRAYBODXOW-HTRCEHHLSA-N	-3	1	380.781	0.912	20	50		GCGDML
O=C([O-])c1nscc1S(=O)(=O)[N-][N-]C(=O)NCCc1cccs1	ZINC000833143472	601838983	/nfs/dbraw/zinc/83/89/83/601838983.db2.gz	KVWNKBTYTYMTPC-UHFFFAOYSA-N	-3	1	376.441	0.638	20	50		GCGDML
CC(C)(C)CC(=O)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000819908127	945312552	/nfs/dbraw/zinc/31/25/52/945312552.db2.gz	WPLZKGRDYNDSIZ-UHFFFAOYSA-N	-2	1	383.390	0.521	20	50		GCGDML
O=C(Cc1cccnc1)[N-][N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000823114770	946315786	/nfs/dbraw/zinc/31/57/86/946315786.db2.gz	DEVLNXAYPHVDJK-UHFFFAOYSA-N	-2	1	395.351	0.092	20	50		GCGDML
COc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@H]3CC[C@H]3C(=O)[O-])n[nH]2)cc1OC	ZINC001594070107	958174475	/nfs/dbraw/zinc/17/44/75/958174475.db2.gz	BJJVMGOOFYAVCH-WDEREUQCSA-N	-2	1	388.380	0.966	20	50		GCGDML
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)Cc1cccnc1	ZINC000737718260	978438278	/nfs/dbraw/zinc/43/82/78/978438278.db2.gz	PPVATNZJGPMASZ-UHFFFAOYSA-N	-3	1	399.406	0.180	20	50		GCGDML
COCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-]	ZINC000737762987	978443850	/nfs/dbraw/zinc/44/38/50/978443850.db2.gz	PDPPGCJFZLWCQR-UHFFFAOYSA-N	-3	1	399.347	0.933	20	50		GCGDML
O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)c([N+](=O)[O-])c1	ZINC000739348822	978631293	/nfs/dbraw/zinc/63/12/93/978631293.db2.gz	FJODMCXLXDAWKJ-UHFFFAOYSA-N	-3	1	380.338	0.240	20	50		GCGDML
Cc1cc(S(=O)(=O)N[N-]C(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1C(=O)[O-]	ZINC000832903489	600691859	/nfs/dbraw/zinc/69/18/59/600691859.db2.gz	IUVBCOQJGRKRPP-UHFFFAOYSA-N	-3	1	395.349	0.930	20	50		GCGDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[N-]C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000832919873	600692065	/nfs/dbraw/zinc/69/20/65/600692065.db2.gz	XGNUUECPXCPERI-UHFFFAOYSA-N	-3	1	395.349	0.930	20	50		GCGDML
COc1ccc(-c2cc(C(=O)[N-]NC(=O)CN(C)C(=O)[O-])n[nH]2)cc1OC	ZINC000829234044	605410793	/nfs/dbraw/zinc/41/07/93/605410793.db2.gz	JDADLRPTYJKGMA-UHFFFAOYSA-N	-2	1	377.357	0.465	20	50		GCGDML
C[N-]S(=O)(=O)c1ccc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)o1	ZINC000826090942	608579980	/nfs/dbraw/zinc/57/99/80/608579980.db2.gz	RHGOSSAGVLLKNH-UHFFFAOYSA-N	-2	1	398.792	0.173	20	50		GCGDML