smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cnnc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000285943231	437086452	/nfs/dbraw/zinc/08/64/52/437086452.db2.gz	UYDWIJDUGNQFBI-UHFFFAOYSA-N	-1	1	325.350	0.627	20	10		ECCDMM
COc1c([O-])c(CN2C[C@@H](C)O[C@H](C(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000373205661	438137326	/nfs/dbraw/zinc/13/73/26/438137326.db2.gz	LPDLWCAHISLNEP-KCJUWKMLSA-N	-1	1	325.321	0.384	20	10		ECCDMM
C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783948523	578747522	/nfs/dbraw/zinc/74/75/22/578747522.db2.gz	HWHYDMAYSZKGEH-XLKFXECMSA-N	-1	1	337.328	0.099	20	10		ECCDMM
O=C(COC(=O)[C@H]1COCCN1CC(F)F)c1ccc([O-])c(O)c1	ZINC000786947862	578797938	/nfs/dbraw/zinc/79/79/38/578797938.db2.gz	QEMPSNBAVZIRDK-SNVBAGLBSA-N	-1	1	345.298	0.790	20	10		ECCDMM
CC(=O)c1cc(CN2CC[C@H]2CO)c([O-])c(CN2CCOCC2)c1	ZINC000902629513	586750163	/nfs/dbraw/zinc/75/01/63/586750163.db2.gz	FZOAJIXWAKESGP-KRWDZBQOSA-N	-1	1	334.416	0.994	20	10		ECCDMM
COC(=O)c1n[nH]c2c1CN(C(=O)c1c(F)ccc(O)c1[O-])CC2	ZINC000839785447	586893786	/nfs/dbraw/zinc/89/37/86/586893786.db2.gz	GRQXLMPFGGMCES-UHFFFAOYSA-N	-1	1	335.291	0.945	20	10		ECCDMM
Cn1cc(CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cn1	ZINC000825756182	587959500	/nfs/dbraw/zinc/95/95/00/587959500.db2.gz	KWANJSFVVXLFRQ-UHFFFAOYSA-N	-1	1	334.351	0.928	20	10		ECCDMM
O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1	ZINC000881455538	590456701	/nfs/dbraw/zinc/45/67/01/590456701.db2.gz	XNAVRROYJNIUHG-BDAKNGLRSA-N	-1	1	329.349	0.744	20	10		ECCDMM
O=C(CO)NCCC(=O)NCc1cccc(Br)c1[O-]	ZINC000907759488	609618903	/nfs/dbraw/zinc/61/89/03/609618903.db2.gz	ZERYSFVSDNCECZ-UHFFFAOYSA-N	-1	1	331.166	0.270	20	10		ECCDMM
COCCN1C(=O)C(=CNCCCOCC(C)C)C(=O)[N-]C1=S	ZINC000052536922	436509280	/nfs/dbraw/zinc/50/92/80/436509280.db2.gz	DUBVCJYTUQADDR-XFXZXTDPSA-N	-1	1	343.449	0.412	20	10		ECCDMM
COCCN1C(=O)C(=CNCc2ccc(OC)cc2)C(=O)[N-]C1=S	ZINC000060861693	436634993	/nfs/dbraw/zinc/63/49/93/436634993.db2.gz	LXRGKDINPYTCFV-RAXLEYEMSA-N	-1	1	349.412	0.558	20	10		ECCDMM
COCCN1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1=O	ZINC000283166987	437025203	/nfs/dbraw/zinc/02/52/03/437025203.db2.gz	YRZYATDHIXRRAP-UHFFFAOYSA-N	-1	1	325.321	0.557	20	10		ECCDMM
O=C(CCn1cc[n-]c(=O)c1=O)NCCCSc1nccs1	ZINC000733973098	578350649	/nfs/dbraw/zinc/35/06/49/578350649.db2.gz	UVCVSHVPJAVIKR-UHFFFAOYSA-N	-1	1	340.430	0.682	20	10		ECCDMM
COC[C@H]1C(=O)N[C@H](c2cc(O)cc(Br)c2[O-])N1C	ZINC000840828736	588973785	/nfs/dbraw/zinc/97/37/85/588973785.db2.gz	LKPKEYINZYYPAU-ONGXEEELSA-N	-1	1	331.166	0.936	20	10		ECCDMM
Cn1[n-]c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1=O	ZINC000881853508	590481010	/nfs/dbraw/zinc/48/10/10/590481010.db2.gz	YTRKGXKHKOFJHF-UHFFFAOYSA-N	-1	1	329.404	0.808	20	10		ECCDMM
COCCN1C(=O)C(=CN[C@@H]2CCCC[C@@H]2C)C(=O)[N-]C1=S	ZINC000920978083	609696266	/nfs/dbraw/zinc/69/62/66/609696266.db2.gz	UGEVCDNREFCRCJ-CNQYLEGHSA-N	-1	1	325.434	0.928	20	10		ECCDMM
O=C(CN1CCOCC1)N1CCN(Cc2cccc(F)c2[O-])CC1	ZINC000272317211	436709615	/nfs/dbraw/zinc/70/96/15/436709615.db2.gz	STBBJANEKAMXDZ-UHFFFAOYSA-N	-1	1	337.395	0.508	20	10		ECCDMM
CC(C)(C(N)=O)N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1	ZINC000295373072	436965937	/nfs/dbraw/zinc/96/59/37/436965937.db2.gz	RXOJLHSGDOSNJT-UHFFFAOYSA-N	-1	1	325.340	0.259	20	10		ECCDMM
COC(=O)COCC(=O)NCc1cccc(Br)c1[O-]	ZINC000288514454	437329722	/nfs/dbraw/zinc/32/97/22/437329722.db2.gz	SFBUWNAPXVVDRE-UHFFFAOYSA-N	-1	1	332.150	0.961	20	10		ECCDMM
C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783948135	578747529	/nfs/dbraw/zinc/74/75/29/578747529.db2.gz	HWHYDMAYSZKGEH-RTHLEPHNSA-N	-1	1	337.328	0.099	20	10		ECCDMM
NS(=O)(=O)c1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1	ZINC000789952686	578863895	/nfs/dbraw/zinc/86/38/95/578863895.db2.gz	GQYGHPUNKBOZLI-UHFFFAOYSA-N	-1	1	340.332	0.814	20	10		ECCDMM
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])O1	ZINC000789997856	578865232	/nfs/dbraw/zinc/86/52/32/578865232.db2.gz	QSUIKBKIQUNSOQ-GZMMTYOYSA-N	-1	1	326.324	0.603	20	10		ECCDMM
Cc1cc(Br)c([O-])c(CN2CC3(C2)NC(=O)NC3=O)c1	ZINC000897906347	586381436	/nfs/dbraw/zinc/38/14/36/586381436.db2.gz	QYDMGOLPWNHZAS-UHFFFAOYSA-N	-1	1	340.177	0.857	20	10		ECCDMM
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3nccc(N)n3)no2)c1	ZINC000813353993	587251623	/nfs/dbraw/zinc/25/16/23/587251623.db2.gz	IJUYLDYWJUUJLJ-UHFFFAOYSA-N	-1	1	348.344	0.683	20	10		ECCDMM
CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000825827384	587964351	/nfs/dbraw/zinc/96/43/51/587964351.db2.gz	QWTACSTZQYGLHW-MRVPVSSYSA-N	-1	1	332.353	0.391	20	10		ECCDMM
COCCN1C(=O)C(=CNc2ccc3c[nH]nc3c2)C(=O)NC1=S	ZINC000920976574	609696034	/nfs/dbraw/zinc/69/60/34/609696034.db2.gz	LEWITYCDEVLALW-DHZHZOJOSA-N	-1	1	345.384	0.748	20	10		ECCDMM
COCCN1C(=O)C(=CNc2ccc3cn[nH]c3c2)C(=O)[N-]C1=S	ZINC000920976574	609696036	/nfs/dbraw/zinc/69/60/36/609696036.db2.gz	LEWITYCDEVLALW-DHZHZOJOSA-N	-1	1	345.384	0.748	20	10		ECCDMM
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000294787609	436962037	/nfs/dbraw/zinc/96/20/37/436962037.db2.gz	AYJHCCWIMNGTAJ-WCBMZHEXSA-N	-1	1	346.380	0.685	20	10		ECCDMM
COc1c([O-])c(CN2CC[C@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000282896485	437022040	/nfs/dbraw/zinc/02/20/40/437022040.db2.gz	ZVJHOQKTUBTNGZ-JTQLQIEISA-N	-1	1	330.362	0.928	20	10		ECCDMM
O=C(CN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1)NC1CC1	ZINC000276667808	437146973	/nfs/dbraw/zinc/14/69/73/437146973.db2.gz	NLKYPVRCZNMODQ-UHFFFAOYSA-N	-1	1	337.351	0.273	20	10		ECCDMM
COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278460068	437314539	/nfs/dbraw/zinc/31/45/39/437314539.db2.gz	ZQRUUIDWLDNPNH-RYUDHWBXSA-N	-1	1	340.332	0.807	20	10		ECCDMM
COc1ccc(N2CC[C@H](CNC(=O)CCc3nn[n-]n3)C2)cc1	ZINC000868955409	589938046	/nfs/dbraw/zinc/93/80/46/589938046.db2.gz	KNNOBRSEDOLKDH-GFCCVEGCSA-N	-1	1	330.392	0.784	20	10		ECCDMM
CC[N@H+]1CC[C@@H]1CNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000887316003	590960174	/nfs/dbraw/zinc/96/01/74/590960174.db2.gz	HTAPTDOCWZWREQ-CQSZACIVSA-N	-1	1	335.404	0.797	20	10		ECCDMM
CCN1CC[C@@H]1CNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000887316003	590960175	/nfs/dbraw/zinc/96/01/75/590960175.db2.gz	HTAPTDOCWZWREQ-CQSZACIVSA-N	-1	1	335.404	0.797	20	10		ECCDMM
COC(=O)C[C@H](C)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000295423704	436967218	/nfs/dbraw/zinc/96/72/18/436967218.db2.gz	WCAQYYCTFWGXIU-JTQLQIEISA-N	-1	1	340.351	0.946	20	10		ECCDMM
C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783948133	578747508	/nfs/dbraw/zinc/74/75/08/578747508.db2.gz	HWHYDMAYSZKGEH-CLAHSXSESA-N	-1	1	337.328	0.099	20	10		ECCDMM
COCCN1C(=O)C(=CN[C@@H]2CCCC[C@H]2C)C(=O)[N-]C1=S	ZINC000920978084	609696295	/nfs/dbraw/zinc/69/62/95/609696295.db2.gz	UGEVCDNREFCRCJ-LNOKQREWSA-N	-1	1	325.434	0.928	20	10		ECCDMM
O=C(CN1CC(=O)NC1=O)NCc1cccc(Br)c1[O-]	ZINC000277562825	437230959	/nfs/dbraw/zinc/23/09/59/437230959.db2.gz	POAUDZJFXUUPRU-UHFFFAOYSA-N	-1	1	342.149	0.323	20	10		ECCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(OC)c2O)o1	ZINC000729859401	578299326	/nfs/dbraw/zinc/29/93/26/578299326.db2.gz	OQUFHAYGTQSULH-UHFFFAOYSA-N	-1	1	340.357	0.832	20	10		ECCDMM
COc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1O	ZINC000737131916	578480492	/nfs/dbraw/zinc/48/04/92/578480492.db2.gz	IIHQCNVKEKLIMY-UHFFFAOYSA-N	-1	1	326.316	0.906	20	10		ECCDMM
COc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1O	ZINC000737131916	578480493	/nfs/dbraw/zinc/48/04/93/578480493.db2.gz	IIHQCNVKEKLIMY-UHFFFAOYSA-N	-1	1	326.316	0.906	20	10		ECCDMM
Nc1ncnc2c1ncn2CC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000784021161	578748533	/nfs/dbraw/zinc/74/85/33/578748533.db2.gz	NOEMNDIRGYYFEG-UHFFFAOYSA-N	-1	1	343.299	0.246	20	10		ECCDMM
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])O1	ZINC000789997958	578865285	/nfs/dbraw/zinc/86/52/85/578865285.db2.gz	QSUIKBKIQUNSOQ-KWQFWETISA-N	-1	1	326.324	0.603	20	10		ECCDMM
O=C(c1c(F)ccc(O)c1[O-])N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000790065407	578867486	/nfs/dbraw/zinc/86/74/86/578867486.db2.gz	NEYUXLXYQXVYKD-GFCCVEGCSA-N	-1	1	338.335	0.700	20	10		ECCDMM
COc1ccc(N2CCN(C(=O)CCCc3nn[n-]n3)CC2)cc1	ZINC000873778750	590201341	/nfs/dbraw/zinc/20/13/41/590201341.db2.gz	IMPUOBQNVJHRKY-UHFFFAOYSA-N	-1	1	330.392	0.880	20	10		ECCDMM
CN(C)S(=O)(=O)N1CCCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000877541266	590470319	/nfs/dbraw/zinc/47/03/19/590470319.db2.gz	MMXCMBNPRVUJTN-UHFFFAOYSA-N	-1	1	349.403	0.985	20	10		ECCDMM
CCS(=O)(=O)N1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000295497727	436968632	/nfs/dbraw/zinc/96/86/32/436968632.db2.gz	TWGZYSODNBABHC-UHFFFAOYSA-N	-1	1	346.380	0.781	20	10		ECCDMM
O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(N2CCCC2)cc1	ZINC000726865517	578150308	/nfs/dbraw/zinc/15/03/08/578150308.db2.gz	INVRBYCPZQLVCS-UHFFFAOYSA-N	-1	1	342.399	0.843	20	10		ECCDMM
Cc1nn(C)c(C(=O)Nc2n[n-]c(C3=S=CC=C3)n2)c1[N+](=O)[O-]	ZINC000732070663	578318733	/nfs/dbraw/zinc/31/87/33/578318733.db2.gz	BOGHJOHFXPNCKF-UHFFFAOYSA-N	-1	1	333.333	0.633	20	10		ECCDMM
Cc1nn(C)c(C(=O)Nc2nc(C3=S=CC=C3)n[n-]2)c1[N+](=O)[O-]	ZINC000732070663	578318734	/nfs/dbraw/zinc/31/87/34/578318734.db2.gz	BOGHJOHFXPNCKF-UHFFFAOYSA-N	-1	1	333.333	0.633	20	10		ECCDMM
Cc1onc(CC(=O)NCc2ccc(O)c(O)c2)c1-c1nnn[n-]1	ZINC000826348190	588032041	/nfs/dbraw/zinc/03/20/41/588032041.db2.gz	ZNCCIXIOTOEORO-UHFFFAOYSA-N	-1	1	330.304	0.433	20	10		ECCDMM
Cc1onc(CC(=O)NCc2ccc(O)c(O)c2)c1-c1nn[n-]n1	ZINC000826348190	588032043	/nfs/dbraw/zinc/03/20/43/588032043.db2.gz	ZNCCIXIOTOEORO-UHFFFAOYSA-N	-1	1	330.304	0.433	20	10		ECCDMM
C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)Cc1ccccc1O	ZINC000109771870	436626101	/nfs/dbraw/zinc/62/61/01/436626101.db2.gz	VZPZXTBCNQYCNK-SNVBAGLBSA-N	-1	1	346.387	0.075	20	10		ECCDMM
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000276631053	437140199	/nfs/dbraw/zinc/14/01/99/437140199.db2.gz	STZAFBGQLQUWRR-MRVPVSSYSA-N	-1	1	332.353	0.391	20	10		ECCDMM
CCN1CCN(c2ccc(CNC(=O)c3cc(=O)[nH][n-]3)cc2F)CC1	ZINC000732289869	578322628	/nfs/dbraw/zinc/32/26/28/578322628.db2.gz	YILBMHVOLSYXOV-UHFFFAOYSA-N	-1	1	347.394	0.460	20	10		ECCDMM
CCN1CCN(c2ccc(CNC(=O)NCC(=O)[O-])cc2F)CC1	ZINC000780569254	578696444	/nfs/dbraw/zinc/69/64/44/578696444.db2.gz	PHCGBCHTBNITHY-UHFFFAOYSA-N	-1	1	338.383	0.851	20	10		ECCDMM
CN(C)c1ccc(CNC(=O)CN2CC[C@H](CNC(=O)[O-])C2)cc1	ZINC000739618403	579698313	/nfs/dbraw/zinc/69/83/13/579698313.db2.gz	MKMYLUMNMZCQQW-CQSZACIVSA-N	-1	1	334.420	0.958	20	10		ECCDMM
C[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-]	ZINC000898846028	586454464	/nfs/dbraw/zinc/45/44/64/586454464.db2.gz	QCWPRGNBFPFASK-ZDUSSCGKSA-N	-1	1	334.420	0.958	20	10		ECCDMM
CON(C)C(=O)CNC(=O)NCc1cccc(Br)c1[O-]	ZINC000817802361	587385896	/nfs/dbraw/zinc/38/58/96/587385896.db2.gz	OMQFZKYDPWYWPH-UHFFFAOYSA-N	-1	1	346.181	0.974	20	10		ECCDMM
O=C(NCc1cccc(Br)c1[O-])C1CS(=O)(=O)C1	ZINC000867831164	589851399	/nfs/dbraw/zinc/85/13/99/589851399.db2.gz	QPCJRTDFSKQORT-UHFFFAOYSA-N	-1	1	334.191	0.816	20	10		ECCDMM
Cc1nn(CC(=O)NCc2cccc(Br)c2[O-])c(=O)o1	ZINC000879775362	590344317	/nfs/dbraw/zinc/34/43/17/590344317.db2.gz	YKSXBFSDPYXAFM-UHFFFAOYSA-N	-1	1	342.149	0.929	20	10		ECCDMM
O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1	ZINC000881455541	590456852	/nfs/dbraw/zinc/45/68/52/590456852.db2.gz	XNAVRROYJNIUHG-RKDXNWHRSA-N	-1	1	329.349	0.744	20	10		ECCDMM
COCCN1C(=O)C(=CNc2ccc(C)cc2O)C(=O)[N-]C1=S	ZINC000060863576	436635128	/nfs/dbraw/zinc/63/51/28/436635128.db2.gz	CGUVIACFFLTYPX-NTMALXAHSA-N	-1	1	335.385	0.886	20	10		ECCDMM
COC(=O)CN(CC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278265772	437297752	/nfs/dbraw/zinc/29/77/52/437297752.db2.gz	RDDPHLAYNQJNIZ-UHFFFAOYSA-N	-1	1	342.304	0.457	20	10		ECCDMM
NC(=O)[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000375528708	438259342	/nfs/dbraw/zinc/25/93/42/438259342.db2.gz	RPEZZPNYWFDWHQ-CYBMUJFWSA-N	-1	1	329.740	0.766	20	10		ECCDMM
NC(=O)[C@@]1(O)CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000375528708	438259344	/nfs/dbraw/zinc/25/93/44/438259344.db2.gz	RPEZZPNYWFDWHQ-CYBMUJFWSA-N	-1	1	329.740	0.766	20	10		ECCDMM
COc1ccc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1	ZINC000737098489	578478204	/nfs/dbraw/zinc/47/82/04/578478204.db2.gz	FADVTLZVYUAKDS-UHFFFAOYSA-N	-1	1	338.375	0.992	20	10		ECCDMM
COc1ccc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1	ZINC000737098489	578478205	/nfs/dbraw/zinc/47/82/05/578478205.db2.gz	FADVTLZVYUAKDS-UHFFFAOYSA-N	-1	1	338.375	0.992	20	10		ECCDMM
O=C(COC(=O)C1CCS(=O)(=O)CC1)c1ccc([O-])c(O)c1	ZINC000783645458	578743999	/nfs/dbraw/zinc/74/39/99/578743999.db2.gz	NSEAMLNFGOYUJV-UHFFFAOYSA-N	-1	1	328.342	0.649	20	10		ECCDMM
C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(N(C)C)cc1	ZINC000773011191	579218538	/nfs/dbraw/zinc/21/85/38/579218538.db2.gz	DHDIOAGSFZBKAF-GFCCVEGCSA-N	-1	1	330.388	0.870	20	10		ECCDMM
CC(=O)c1cc(Cl)cc(CN2CCN3C(=O)NC(=O)[C@H]3C2)c1[O-]	ZINC000778953612	579312862	/nfs/dbraw/zinc/31/28/62/579312862.db2.gz	PXFPWWOYYPOYTD-GFCCVEGCSA-N	-1	1	337.763	0.984	20	10		ECCDMM
CO[C@]1(C(=O)NCc2cccc(Cl)c2[O-])CCS(=O)(=O)C1	ZINC000890763196	586062568	/nfs/dbraw/zinc/06/25/68/586062568.db2.gz	RABHEOJWICYMQC-CYBMUJFWSA-N	-1	1	333.793	0.866	20	10		ECCDMM
O=C(NCCN1CCC2(C1)OCCO2)c1c(F)ccc(O)c1[O-]	ZINC000899062024	586468174	/nfs/dbraw/zinc/46/81/74/586468174.db2.gz	MHUFJPKKDVXNJK-UHFFFAOYSA-N	-1	1	326.324	0.416	20	10		ECCDMM
Cn1ccnc1CN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000825756231	587959476	/nfs/dbraw/zinc/95/94/76/587959476.db2.gz	MFVOEJMMDPNJPB-UHFFFAOYSA-N	-1	1	334.351	0.928	20	10		ECCDMM
COc1c([O-])c(CN2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-]	ZINC000278221196	437292337	/nfs/dbraw/zinc/29/23/37/437292337.db2.gz	LNYUHEBHJKIRID-UHFFFAOYSA-N	-1	1	345.377	0.386	20	10		ECCDMM
Cn1nncc1S(=O)(=O)NCc1cccc(Br)c1[O-]	ZINC000795185963	578606978	/nfs/dbraw/zinc/60/69/78/578606978.db2.gz	JDPZWWQMBIRUQF-UHFFFAOYSA-N	-1	1	347.194	0.762	20	10		ECCDMM
O=C(CN1CCS(=O)(=O)CC1)NCc1cccc(Cl)c1[O-]	ZINC000890757743	586062186	/nfs/dbraw/zinc/06/21/86/586062186.db2.gz	JZNVPCCWZZPOLK-UHFFFAOYSA-N	-1	1	332.809	0.392	20	10		ECCDMM
COc1ccc(N2CC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C2)cc1	ZINC000867496630	589793739	/nfs/dbraw/zinc/79/37/39/589793739.db2.gz	GEYJXTBBAGHABF-NSHDSACASA-N	-1	1	347.462	0.836	20	10		ECCDMM
COCCN1C(=O)C(=CNCCc2ccccc2)C(=O)[N-]C1=S	ZINC000060860944	436634968	/nfs/dbraw/zinc/63/49/68/436634968.db2.gz	PKMVKNXRTFDIAL-QBFSEMIESA-N	-1	1	333.413	0.592	20	10		ECCDMM
NC(=O)[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000375528709	438257578	/nfs/dbraw/zinc/25/75/78/438257578.db2.gz	RPEZZPNYWFDWHQ-ZDUSSCGKSA-N	-1	1	329.740	0.766	20	10		ECCDMM
NC(=O)[C@]1(O)CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000375528709	438257581	/nfs/dbraw/zinc/25/75/81/438257581.db2.gz	RPEZZPNYWFDWHQ-ZDUSSCGKSA-N	-1	1	329.740	0.766	20	10		ECCDMM
CC(C)(C)OC(=O)NCc1nnnn1CC(=O)c1ccc([O-])c(O)c1	ZINC000769857781	579154464	/nfs/dbraw/zinc/15/44/64/579154464.db2.gz	UHPPUHVBWPFPJI-UHFFFAOYSA-N	-1	1	349.347	0.992	20	10		ECCDMM
CC(C)NC(=O)CN(C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000803694185	587067330	/nfs/dbraw/zinc/06/73/30/587067330.db2.gz	NRVFOHYZPZAZTO-UHFFFAOYSA-N	-1	1	338.360	0.280	20	10		ECCDMM
CCOC(=O)[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC12COC2	ZINC000833100775	588521846	/nfs/dbraw/zinc/52/18/46/588521846.db2.gz	KHQAVFLBQLMZNY-VIFPVBQESA-N	-1	1	339.319	0.889	20	10		ECCDMM
COCCN1C(=O)C(=CNCCCOCC2CC2)C(=O)[N-]C1=S	ZINC000052536939	436509167	/nfs/dbraw/zinc/50/91/67/436509167.db2.gz	VAVNZBRENTUTEC-XFXZXTDPSA-N	-1	1	341.433	0.166	20	10		ECCDMM
Cc1nn(C)c(=O)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1C	ZINC000782661540	578730749	/nfs/dbraw/zinc/73/07/49/578730749.db2.gz	ZJKRVLSVGNBMFN-UHFFFAOYSA-N	-1	1	332.312	0.848	20	10		ECCDMM
COc1nn(C)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000789860876	578861496	/nfs/dbraw/zinc/86/14/96/578861496.db2.gz	KREBITGMBLAAGM-UHFFFAOYSA-N	-1	1	340.361	0.758	20	10		ECCDMM
CC(=O)C(=O)COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1	ZINC000808502482	587155345	/nfs/dbraw/zinc/15/53/45/587155345.db2.gz	JRBGDAZMEOXRQT-UHFFFAOYSA-N	-1	1	331.346	0.671	20	10		ECCDMM
COc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1O	ZINC000821867904	587633729	/nfs/dbraw/zinc/63/37/29/587633729.db2.gz	KWASXMMVYRNUCK-UHFFFAOYSA-N	-1	1	344.335	0.636	20	10		ECCDMM
COc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1O	ZINC000821867904	587633730	/nfs/dbraw/zinc/63/37/30/587633730.db2.gz	KWASXMMVYRNUCK-UHFFFAOYSA-N	-1	1	344.335	0.636	20	10		ECCDMM
O=C(Nc1ccc(-c2ncon2)cc1)C1=S=C(c2nn[n-]n2)C=C1	ZINC000823303092	587714934	/nfs/dbraw/zinc/71/49/34/587714934.db2.gz	DCPAHVFEAARGPF-UHFFFAOYSA-N	-1	1	339.340	0.884	20	10		ECCDMM
COc1ccc(N2CC[C@@H](NC(=O)CCCc3nn[n-]n3)C2)cc1	ZINC000824374275	587871083	/nfs/dbraw/zinc/87/10/83/587871083.db2.gz	VUOORJAXTLEORP-GFCCVEGCSA-N	-1	1	330.392	0.926	20	10		ECCDMM
O=C(c1c([O-])c(O)ccc1F)N1CCN(CC(F)(F)CO)CC1	ZINC000880607782	590411969	/nfs/dbraw/zinc/41/19/69/590411969.db2.gz	AYLSNAGPTWQVSL-UHFFFAOYSA-N	-1	1	334.294	0.622	20	10		ECCDMM
CN(C[C@@H](O)CN1CCOCC1)C(=O)c1c(F)ccc(O)c1[O-]	ZINC000276644044	437143533	/nfs/dbraw/zinc/14/35/33/437143533.db2.gz	VKDPJMACBSFVOA-SNVBAGLBSA-N	-1	1	328.340	0.002	20	10		ECCDMM
CC(=O)c1cc(Cl)cc(CN2CCN(S(N)(=O)=O)CC2)c1[O-]	ZINC000267058742	437285746	/nfs/dbraw/zinc/28/57/46/437285746.db2.gz	LRTGDNNPJFVHAV-UHFFFAOYSA-N	-1	1	347.824	0.569	20	10		ECCDMM
COCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)C(N)=O	ZINC000278283981	437299183	/nfs/dbraw/zinc/29/91/83/437299183.db2.gz	TYLKEOJTPZTIMN-SECBINFHSA-N	-1	1	327.337	0.631	20	10		ECCDMM
NC(=O)[C@@]1(O)CCCN(Cc2cc(Br)ccc2O)C1	ZINC000375528628	438258036	/nfs/dbraw/zinc/25/80/36/438258036.db2.gz	PSWFRRKRPWJYFE-CYBMUJFWSA-N	-1	1	329.194	0.967	20	10		ECCDMM
COc1c([O-])c(CN2CCN3C(=O)N(C)C[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000369695282	438506580	/nfs/dbraw/zinc/50/65/80/438506580.db2.gz	QLCQPXPYGHJFDJ-LLVKDONJSA-N	-1	1	336.348	0.861	20	10		ECCDMM
COc1ccc(O)c([C@@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)c1	ZINC000728978813	578292103	/nfs/dbraw/zinc/29/21/03/578292103.db2.gz	OWSKYGTWWFAIMY-SNVBAGLBSA-N	-1	1	333.344	0.518	20	10		ECCDMM
Cc1nnc2n1C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CC2	ZINC000784320711	578750649	/nfs/dbraw/zinc/75/06/49/578750649.db2.gz	DQDBFIDOTCAAMX-LLVKDONJSA-N	-1	1	331.328	0.986	20	10		ECCDMM
COc1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1	ZINC000788615325	578840919	/nfs/dbraw/zinc/84/09/19/578840919.db2.gz	APEMACUIJSDERG-UHFFFAOYSA-N	-1	1	344.374	0.876	20	10		ECCDMM
CN1C(=O)CC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1=O	ZINC000895459366	586183657	/nfs/dbraw/zinc/18/36/57/586183657.db2.gz	RRIDBMADIKHCLE-JTQLQIEISA-N	-1	1	325.752	0.992	20	10		ECCDMM
CS(=O)(=O)N1CC(CNC(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000894313818	586386513	/nfs/dbraw/zinc/38/65/13/586386513.db2.gz	JVULIRCBUFGFHX-UHFFFAOYSA-N	-1	1	347.824	0.736	20	10		ECCDMM
COC(=O)C1(CNC(=O)c2c(F)ccc(O)c2[O-])CCOCC1	ZINC000828167120	588162231	/nfs/dbraw/zinc/16/22/31/588162231.db2.gz	RHUHKZIDCZHJOI-UHFFFAOYSA-N	-1	1	327.308	0.937	20	10		ECCDMM
COc1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(O)c1	ZINC000859144132	589802506	/nfs/dbraw/zinc/80/25/06/589802506.db2.gz	MZGHGZBBADEWQJ-UHFFFAOYSA-N	-1	1	342.333	0.521	20	10		ECCDMM
O=C(Cn1cc(NCc2cc(F)cc(F)c2[O-])cn1)NCCO	ZINC000883079897	590604014	/nfs/dbraw/zinc/60/40/14/590604014.db2.gz	JAECAWCREQVNRY-UHFFFAOYSA-N	-1	1	326.303	0.588	20	10		ECCDMM
COC(=O)CN(Cc1nc(=O)[n-][nH]1)Cc1cc(Cl)ccc1O	ZINC000271643528	436693216	/nfs/dbraw/zinc/69/32/16/436693216.db2.gz	SEUONMWRNABGBN-UHFFFAOYSA-N	-1	1	326.740	0.632	20	10		ECCDMM
COc1ccc(O)c([C@H](C)NC(=O)CCn2cc[n-]c(=O)c2=O)c1	ZINC000728978812	578292124	/nfs/dbraw/zinc/29/21/24/578292124.db2.gz	OWSKYGTWWFAIMY-JTQLQIEISA-N	-1	1	333.344	0.518	20	10		ECCDMM
Cc1nc(CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)no1	ZINC000789973410	578864449	/nfs/dbraw/zinc/86/44/49/578864449.db2.gz	RCXBYZXSQJIUJJ-UHFFFAOYSA-N	-1	1	336.323	0.886	20	10		ECCDMM
O=C(NCCN1CCNC(=O)C1)NCc1cccc(Cl)c1[O-]	ZINC000894106569	586375137	/nfs/dbraw/zinc/37/51/37/586375137.db2.gz	MGHNWKZEFXBQOJ-UHFFFAOYSA-N	-1	1	326.784	0.277	20	10		ECCDMM
COc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1	ZINC000826209699	588010846	/nfs/dbraw/zinc/01/08/46/588010846.db2.gz	MWOHXJBSHJKAQV-UHFFFAOYSA-N	-1	1	338.375	0.992	20	10		ECCDMM
COc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1	ZINC000826209699	588010848	/nfs/dbraw/zinc/01/08/48/588010848.db2.gz	MWOHXJBSHJKAQV-UHFFFAOYSA-N	-1	1	338.375	0.992	20	10		ECCDMM
Cc1onc(CC(=O)NCCc2ccc(O)c(O)c2)c1-c1nnn[n-]1	ZINC000826347859	588031486	/nfs/dbraw/zinc/03/14/86/588031486.db2.gz	JHTKXCIYYXDRFS-UHFFFAOYSA-N	-1	1	344.331	0.476	20	10		ECCDMM
Cc1onc(CC(=O)NCCc2ccc(O)c(O)c2)c1-c1nn[n-]n1	ZINC000826347859	588031487	/nfs/dbraw/zinc/03/14/87/588031487.db2.gz	JHTKXCIYYXDRFS-UHFFFAOYSA-N	-1	1	344.331	0.476	20	10		ECCDMM
COc1cc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)ncn1	ZINC000828533524	588188302	/nfs/dbraw/zinc/18/83/02/588188302.db2.gz	BGJGUIMPKUJLPC-UHFFFAOYSA-N	-1	1	348.334	0.998	20	10		ECCDMM
O=C(NCCS(=O)(=O)CC(F)(F)F)c1c([O-])c(O)ccc1F	ZINC000857314469	589693317	/nfs/dbraw/zinc/69/33/17/589693317.db2.gz	MYXGZALHYLYXAR-UHFFFAOYSA-N	-1	1	345.270	0.944	20	10		ECCDMM
COC[C@]1(C(=O)OC)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000295752278	436979055	/nfs/dbraw/zinc/97/90/55/436979055.db2.gz	UURSRVNEOJKMGB-HNNXBMFYSA-N	-1	1	327.308	0.889	20	10		ECCDMM
COCCN1C(=O)C(=CNCC2CCCCC2)C(=O)[N-]C1=S	ZINC000299252286	437061064	/nfs/dbraw/zinc/06/10/64/437061064.db2.gz	DBRMYOSSZSEKOB-BENRWUELSA-N	-1	1	325.434	0.930	20	10		ECCDMM
COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCO1	ZINC000774877599	579258056	/nfs/dbraw/zinc/25/80/56/579258056.db2.gz	LGGHWLZFODVLKD-NSHDSACASA-N	-1	1	326.305	0.683	20	10		ECCDMM
CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1c(F)ccc(O)c1[O-]	ZINC000826700854	588079238	/nfs/dbraw/zinc/07/92/38/588079238.db2.gz	NMDXCBFSFIAARV-MRVPVSSYSA-N	-1	1	332.353	0.391	20	10		ECCDMM
COC(=O)[C@]12CN(C(=O)c3c(F)ccc(O)c3[O-])C[C@H]1COCC2	ZINC000831006115	588398739	/nfs/dbraw/zinc/39/87/39/588398739.db2.gz	SSGBDOBUNGJEIM-XXFAHNHDSA-N	-1	1	339.319	0.889	20	10		ECCDMM
COCCN1C[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1=O	ZINC000800132492	590718059	/nfs/dbraw/zinc/71/80/59/590718059.db2.gz	SRFLAUBXWNQLSX-LLVKDONJSA-N	-1	1	337.328	0.319	20	10		ECCDMM
CNC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCO1	ZINC000278471154	437315546	/nfs/dbraw/zinc/31/55/46/437315546.db2.gz	HBQQIUUFKFVLKF-NSHDSACASA-N	-1	1	325.321	0.256	20	10		ECCDMM
COc1c([O-])c([C@H]2NC(=O)[C@H]3CSCCN32)ccc1[N+](=O)[O-]	ZINC000278231551	437293302	/nfs/dbraw/zinc/29/33/02/437293302.db2.gz	VEPCEFVRSFYBRL-SKDRFNHKSA-N	-1	1	325.346	0.855	20	10		ECCDMM
CCn1cc(S(=O)(=O)[N-]Cc2ccccc2O)c([N+](=O)[O-])n1	ZINC000754806807	579424209	/nfs/dbraw/zinc/42/42/09/579424209.db2.gz	VYFRJIHBPOWVTE-UHFFFAOYSA-N	-1	1	326.334	0.995	20	10		ECCDMM
CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783518109	578742351	/nfs/dbraw/zinc/74/23/51/578742351.db2.gz	ZNNMONMKXWETKH-SNVBAGLBSA-N	-1	1	325.342	0.745	20	10		ECCDMM
O=C(COC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccc([O-])c(O)c1	ZINC000784494112	578752907	/nfs/dbraw/zinc/75/29/07/578752907.db2.gz	NCDCPHHBUFCVNE-UHFFFAOYSA-N	-1	1	344.279	0.863	20	10		ECCDMM
O=C(COC(=O)[C@H]1CCCCS1(=O)=O)c1ccc([O-])c(O)c1	ZINC000784783651	578757453	/nfs/dbraw/zinc/75/74/53/578757453.db2.gz	ONHRGDMPSSRXEF-CYBMUJFWSA-N	-1	1	328.342	0.791	20	10		ECCDMM
CN(C)c1ccc([C@H](CNC(=O)CCc2nn[n-]n2)[NH+](C)C)cc1	ZINC000891246127	586089015	/nfs/dbraw/zinc/08/90/15/586089015.db2.gz	MJTBOOFTSRBANV-AWEZNQCLSA-N	-1	1	331.424	0.617	20	10		ECCDMM
CN(C)c1ccc([C@H](CNC(=O)CCc2nn[nH]n2)[NH+](C)C)cc1	ZINC000891246127	586089016	/nfs/dbraw/zinc/08/90/16/586089016.db2.gz	MJTBOOFTSRBANV-AWEZNQCLSA-N	-1	1	331.424	0.617	20	10		ECCDMM
Cc1cc(N(C)C)ccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000822205888	587647815	/nfs/dbraw/zinc/64/78/15/587647815.db2.gz	MJDZXTBXGALLGR-UHFFFAOYSA-N	-1	1	341.379	0.149	20	10		ECCDMM
CCNC(=O)CN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000825414559	587938996	/nfs/dbraw/zinc/93/89/96/587938996.db2.gz	LRABMPKRVVUWGP-UHFFFAOYSA-N	-1	1	325.340	0.131	20	10		ECCDMM
COc1cccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1O	ZINC000826216307	588010540	/nfs/dbraw/zinc/01/05/40/588010540.db2.gz	SBMFQMQMFCPMCF-UHFFFAOYSA-N	-1	1	344.331	0.736	20	10		ECCDMM
COc1cccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1O	ZINC000826216307	588010542	/nfs/dbraw/zinc/01/05/42/588010542.db2.gz	SBMFQMQMFCPMCF-UHFFFAOYSA-N	-1	1	344.331	0.736	20	10		ECCDMM
COc1ccc(O)c(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1	ZINC000826210366	588010619	/nfs/dbraw/zinc/01/06/19/588010619.db2.gz	OKEOPGABRMGDBM-UHFFFAOYSA-N	-1	1	344.331	0.736	20	10		ECCDMM
COc1ccc(O)c(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1	ZINC000826210366	588010621	/nfs/dbraw/zinc/01/06/21/588010621.db2.gz	OKEOPGABRMGDBM-UHFFFAOYSA-N	-1	1	344.331	0.736	20	10		ECCDMM
O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2nnn[n-]2)nc1	ZINC000826439110	588051410	/nfs/dbraw/zinc/05/14/10/588051410.db2.gz	FLMGNXNRRQRTGE-UHFFFAOYSA-N	-1	1	326.316	0.645	20	10		ECCDMM
O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2nn[n-]n2)nc1	ZINC000826439110	588051412	/nfs/dbraw/zinc/05/14/12/588051412.db2.gz	FLMGNXNRRQRTGE-UHFFFAOYSA-N	-1	1	326.316	0.645	20	10		ECCDMM
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000276542729	437124780	/nfs/dbraw/zinc/12/47/80/437124780.db2.gz	GJRBREWQZQFULQ-QMMMGPOBSA-N	-1	1	332.353	0.391	20	10		ECCDMM
COc1c([O-])c([C@@H]2NC(=O)[C@@H]3CSCCN32)ccc1[N+](=O)[O-]	ZINC000278231545	437293276	/nfs/dbraw/zinc/29/32/76/437293276.db2.gz	VEPCEFVRSFYBRL-JOYOIKCWSA-N	-1	1	325.346	0.855	20	10		ECCDMM
COc1c([O-])c(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000373205662	438136386	/nfs/dbraw/zinc/13/63/86/438136386.db2.gz	LPDLWCAHISLNEP-LDYMZIIASA-N	-1	1	325.321	0.384	20	10		ECCDMM
COC(=O)CN(Cc1nc(=O)n(C)[n-]1)Cc1cc(Cl)ccc1O	ZINC000754063951	579412161	/nfs/dbraw/zinc/41/21/61/579412161.db2.gz	DLWWPBQRXQSJBJ-UHFFFAOYSA-N	-1	1	340.767	0.643	20	10		ECCDMM
CN1CCCc2cc(CNC(=O)CCn3cc[n-]c(=O)c3=O)ccc21	ZINC000727853041	578285629	/nfs/dbraw/zinc/28/56/29/578285629.db2.gz	KIJAHCDNDNBKSH-UHFFFAOYSA-N	-1	1	342.399	0.626	20	10		ECCDMM
CC1(C)C(=O)NC(=O)N1CC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783691139	578744543	/nfs/dbraw/zinc/74/45/43/578744543.db2.gz	QGDWOOQOZVFVIP-UHFFFAOYSA-N	-1	1	336.300	0.154	20	10		ECCDMM
CC(C)(NS(C)(=O)=O)C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000784049949	578748785	/nfs/dbraw/zinc/74/87/85/578748785.db2.gz	XFZPUKIMACBGFE-UHFFFAOYSA-N	-1	1	331.346	0.152	20	10		ECCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccnc(CO)c2)c1	ZINC000763244321	579557538	/nfs/dbraw/zinc/55/75/38/579557538.db2.gz	UJHILSCXXBYKSW-UHFFFAOYSA-N	-1	1	337.357	0.903	20	10		ECCDMM
CN(C)c1ccc([C@@H](CNC(=O)CCc2nc[nH]n2)NC(=O)[O-])cc1	ZINC000828064569	588156142	/nfs/dbraw/zinc/15/61/42/588156142.db2.gz	SZEZYLMYXPGOFE-CYBMUJFWSA-N	-1	1	346.391	0.928	20	10		ECCDMM
CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000831915728	588456577	/nfs/dbraw/zinc/45/65/77/588456577.db2.gz	RPHWIAPFDWHIIY-VIFPVBQESA-N	-1	1	346.380	0.781	20	10		ECCDMM
C[C@@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CCN1S(C)(=O)=O	ZINC000857322599	589693326	/nfs/dbraw/zinc/69/33/26/589693326.db2.gz	HIVHVXBYOMGMDR-MRVPVSSYSA-N	-1	1	332.353	0.343	20	10		ECCDMM
COCCN1C(=O)C(=CNCc2ccc(C)cc2)C(=O)[N-]C1=S	ZINC000060863158	436634744	/nfs/dbraw/zinc/63/47/44/436634744.db2.gz	ASQWQLXBWNUOSW-RAXLEYEMSA-N	-1	1	333.413	0.858	20	10		ECCDMM
CC(C)CN1C(=O)C(=CNNc2cccc(F)n2)C(=O)[N-]C1=S	ZINC000285270988	437077408	/nfs/dbraw/zinc/07/74/08/437077408.db2.gz	VYRDHBYTVJGBOR-TWGQIWQCSA-N	-1	1	337.380	0.920	20	10		ECCDMM
COCCN(CC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278314626	437303538	/nfs/dbraw/zinc/30/35/38/437303538.db2.gz	XGWCPFLCOXIUEV-UHFFFAOYSA-N	-1	1	328.321	0.930	20	10		ECCDMM
COc1c([O-])c(CN(C)[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000278219009	437291835	/nfs/dbraw/zinc/29/18/35/437291835.db2.gz	LFZRIQCMOALSJX-JTQLQIEISA-N	-1	1	330.362	0.928	20	10		ECCDMM
Cc1cc2[nH]c(=O)c(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cn2n1	ZINC000783334350	578741262	/nfs/dbraw/zinc/74/12/62/578741262.db2.gz	CHPICQSJOWOVCU-UHFFFAOYSA-N	-1	1	343.295	0.782	20	10		ECCDMM
CN(C)S(=O)(=O)n1ccnc1CNCc1c([O-])cccc1F	ZINC000896637280	586265544	/nfs/dbraw/zinc/26/55/44/586265544.db2.gz	LLOIGJRTBIFWFF-UHFFFAOYSA-N	-1	1	328.369	0.672	20	10		ECCDMM
COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C2)cc1	ZINC000867496629	589793756	/nfs/dbraw/zinc/79/37/56/589793756.db2.gz	GEYJXTBBAGHABF-LLVKDONJSA-N	-1	1	347.462	0.836	20	10		ECCDMM
CS(=O)(=O)N1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000294746703	436960731	/nfs/dbraw/zinc/96/07/31/436960731.db2.gz	CTZUCTWZALLJLE-QMMMGPOBSA-N	-1	1	332.353	0.391	20	10		ECCDMM
COCCCn1c(=O)[nH]nc1SCC(=O)c1ccc([O-])c(O)c1	ZINC000298096120	437026994	/nfs/dbraw/zinc/02/69/94/437026994.db2.gz	ORSMOWUZLGJQEG-UHFFFAOYSA-N	-1	1	339.373	0.994	20	10		ECCDMM
COc1ccnc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n1	ZINC000276576976	437131379	/nfs/dbraw/zinc/13/13/79/437131379.db2.gz	LAHPWJYAQDVYOD-UHFFFAOYSA-N	-1	1	348.334	0.998	20	10		ECCDMM
CNC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCO1	ZINC000278471153	437315522	/nfs/dbraw/zinc/31/55/22/437315522.db2.gz	HBQQIUUFKFVLKF-LLVKDONJSA-N	-1	1	325.321	0.256	20	10		ECCDMM
COCCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1=O	ZINC000278528250	437319488	/nfs/dbraw/zinc/31/94/88/437319488.db2.gz	UMHBWYWPXZXIIQ-UHFFFAOYSA-N	-1	1	339.348	0.600	20	10		ECCDMM
CN(C)c1ccc(CN(C)C(=O)CCn2cc[n-]c(=O)c2=O)cc1	ZINC000727848756	578285016	/nfs/dbraw/zinc/28/50/16/578285016.db2.gz	PGEAVWRBFKPWAE-UHFFFAOYSA-N	-1	1	330.388	0.651	20	10		ECCDMM
CC(C)CS(=O)(=O)CC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783026269	578737506	/nfs/dbraw/zinc/73/75/06/578737506.db2.gz	GORUBTQIYIDUOF-UHFFFAOYSA-N	-1	1	330.358	0.895	20	10		ECCDMM
COc1c([O-])c(C[NH2+][C@@H](C(=O)[O-])c2ccnn2C)ccc1[N+](=O)[O-]	ZINC000843038284	589047503	/nfs/dbraw/zinc/04/75/03/589047503.db2.gz	FYOKACAQSCBIRY-LLVKDONJSA-N	-1	1	336.304	0.958	20	10		ECCDMM
COc1ccc(N2CC[C@H](NC(=O)CCCc3nn[n-]n3)C2)cc1	ZINC000824374276	587870945	/nfs/dbraw/zinc/87/09/45/587870945.db2.gz	VUOORJAXTLEORP-LBPRGKRZSA-N	-1	1	330.392	0.926	20	10		ECCDMM
CCS(=O)(=O)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000825652611	587954567	/nfs/dbraw/zinc/95/45/67/587954567.db2.gz	HDZFROVWIOGMKG-UHFFFAOYSA-N	-1	1	332.353	0.344	20	10		ECCDMM
COc1c([O-])c(CN2CCO[C@H](CC(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000862535719	589942380	/nfs/dbraw/zinc/94/23/80/589942380.db2.gz	XAWKIWVPPNFFKI-SNVBAGLBSA-N	-1	1	325.321	0.385	20	10		ECCDMM
C[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccccc1O	ZINC000109772152	436625491	/nfs/dbraw/zinc/62/54/91/436625491.db2.gz	BTNYFRGMAPWSQL-UHFFFAOYSA-N	-1	1	344.371	0.474	20	10		ECCDMM
CS(=O)(=O)NCCN(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000109761748	436625867	/nfs/dbraw/zinc/62/58/67/436625867.db2.gz	PZNNFOPKHVHISL-CQSZACIVSA-N	-1	1	328.434	0.922	20	10		ECCDMM
COC(=O)C[C@@H](C)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000295423706	436968846	/nfs/dbraw/zinc/96/88/46/436968846.db2.gz	WCAQYYCTFWGXIU-SNVBAGLBSA-N	-1	1	340.351	0.946	20	10		ECCDMM
NC(=O)c1[nH]nnc1NC(=O)C=Cc1ccc(N2CCOCC2)cc1	ZINC000297778611	437018381	/nfs/dbraw/zinc/01/83/81/437018381.db2.gz	NJJHTLXENMMUFI-ZZXKWVIFSA-N	-1	1	342.359	0.392	20	10		ECCDMM
COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278335356	437304215	/nfs/dbraw/zinc/30/42/15/437304215.db2.gz	HEGPRBUFBMHUPV-MWLCHTKSSA-N	-1	1	326.305	0.417	20	10		ECCDMM
CN(C)c1ccc(CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1F	ZINC000727852744	578285470	/nfs/dbraw/zinc/28/54/70/578285470.db2.gz	ASPHRIPLCBPDJV-UHFFFAOYSA-N	-1	1	334.351	0.448	20	10		ECCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)cc2O)o1	ZINC000794376175	578586052	/nfs/dbraw/zinc/58/60/52/578586052.db2.gz	CEEHUOGKAZQOOX-UHFFFAOYSA-N	-1	1	340.357	0.832	20	10		ECCDMM
O=C(CCCN1C(=O)CNC1=O)NCc1cccc(Cl)c1[O-]	ZINC000890757470	586062123	/nfs/dbraw/zinc/06/21/23/586062123.db2.gz	FAWYICNXWCMXLH-UHFFFAOYSA-N	-1	1	325.752	0.994	20	10		ECCDMM
CCn1[n-]nnc1=NC(=O)NCc1ccc(N2CCN(C)CC2)cc1	ZINC000888319751	586768833	/nfs/dbraw/zinc/76/88/33/586768833.db2.gz	LSBYQWIVUARYKG-UHFFFAOYSA-N	-1	1	344.423	0.188	20	10		ECCDMM
O=S(=O)(NCc1ccccc1O)c1ccc(-c2nnn[n-]2)nc1	ZINC000826491960	588062489	/nfs/dbraw/zinc/06/24/89/588062489.db2.gz	LYUWNAPKEJGGPC-UHFFFAOYSA-N	-1	1	332.345	0.446	20	10		ECCDMM
O=S(=O)(NCc1ccccc1O)c1ccc(-c2nn[n-]n2)nc1	ZINC000826491960	588062491	/nfs/dbraw/zinc/06/24/91/588062491.db2.gz	LYUWNAPKEJGGPC-UHFFFAOYSA-N	-1	1	332.345	0.446	20	10		ECCDMM
COc1ccc(N2CCN(CCC(=O)NCC(=O)[O-])CC2)cc1F	ZINC000832384096	588481215	/nfs/dbraw/zinc/48/12/15/588481215.db2.gz	SVVBGGUVJADLAQ-UHFFFAOYSA-N	-1	1	339.367	0.547	20	10		ECCDMM
O=C(CCCc1nn[n-]n1)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000874092787	590220011	/nfs/dbraw/zinc/22/00/11/590220011.db2.gz	CGZBZMCMRIQAML-UHFFFAOYSA-N	-1	1	348.382	0.815	20	10		ECCDMM
Cc1nnc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n1C	ZINC000880572888	590407565	/nfs/dbraw/zinc/40/75/65/590407565.db2.gz	BATANXDTMYDVCD-UHFFFAOYSA-N	-1	1	335.339	0.636	20	10		ECCDMM
CC1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1=O	ZINC000916617699	609944247	/nfs/dbraw/zinc/94/42/47/609944247.db2.gz	YYCLGKXCVBOWNB-UHFFFAOYSA-N	-1	1	336.300	0.154	20	10		ECCDMM
Cn1nc(NCc2cc(Cl)c3cccnc3c2[O-])c(=O)n(C)c1=O	ZINC001168523789	771154195	/nfs/dbraw/zinc/15/41/95/771154195.db2.gz	SHUISEWAKKTPJO-UHFFFAOYSA-N	-1	1	347.762	0.998	20	10		ECCDMM
CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1	ZINC000296181633	436986870	/nfs/dbraw/zinc/98/68/70/436986870.db2.gz	LQCHLNFDONOVDM-VIFPVBQESA-N	-1	1	346.380	0.733	20	10		ECCDMM
COCCN1C(=O)C(=CNCCCc2ccccc2)C(=O)[N-]C1=S	ZINC000299269925	437063968	/nfs/dbraw/zinc/06/39/68/437063968.db2.gz	RYELWQXOAJFDJP-OWBHPGMISA-N	-1	1	347.440	0.982	20	10		ECCDMM
C[C@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CCN1S(C)(=O)=O	ZINC000276549552	437125266	/nfs/dbraw/zinc/12/52/66/437125266.db2.gz	HIVHVXBYOMGMDR-QMMMGPOBSA-N	-1	1	332.353	0.343	20	10		ECCDMM
COc1c([O-])c(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000375530365	438258815	/nfs/dbraw/zinc/25/88/15/438258815.db2.gz	VBCTZULJAZFDAP-AWEZNQCLSA-N	-1	1	325.321	0.121	20	10		ECCDMM
NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1F	ZINC000758169328	579467946	/nfs/dbraw/zinc/46/79/46/579467946.db2.gz	OSMOSWPNYITHKH-UHFFFAOYSA-N	-1	1	346.361	0.980	20	10		ECCDMM
CCn1cc(S(=O)(=O)[N-]CCc2ccc(N)cc2)c([N+](=O)[O-])n1	ZINC000842823477	589038330	/nfs/dbraw/zinc/03/83/30/589038330.db2.gz	WWIAKYHOVNWGFG-UHFFFAOYSA-N	-1	1	339.377	0.914	20	10		ECCDMM
COc1ccc(CCNC=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000060862431	436635037	/nfs/dbraw/zinc/63/50/37/436635037.db2.gz	RZGXXHHAPNMVMI-UHFFFAOYSA-N	-1	1	335.385	0.251	20	10		ECCDMM
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(O)c2O)CC1	ZINC000279763631	436838332	/nfs/dbraw/zinc/83/83/32/436838332.db2.gz	FDWBRIRKGMTDAS-ZDUSSCGKSA-N	-1	1	333.388	0.476	20	10		ECCDMM
COC[C@@]1(C(=O)OC)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000295752282	436979529	/nfs/dbraw/zinc/97/95/29/436979529.db2.gz	UURSRVNEOJKMGB-OAHLLOKOSA-N	-1	1	327.308	0.889	20	10		ECCDMM
O=C(C[C@@H]1NC(=O)NC1=O)NCc1cccc(Br)c1[O-]	ZINC000277607309	437237365	/nfs/dbraw/zinc/23/73/65/437237365.db2.gz	UWZUJVLKQSEZDJ-QMMMGPOBSA-N	-1	1	342.149	0.369	20	10		ECCDMM
COCCN1C(=O)C2(CC2)N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000840838224	588973712	/nfs/dbraw/zinc/97/37/12/588973712.db2.gz	YWCUUKYWIQKFHD-CYBMUJFWSA-N	-1	1	337.332	0.918	20	10		ECCDMM
CN1CCN(c2ccc(CNC(=O)N3CC(C(=O)[O-])C3)cc2)CC1	ZINC000898862004	586454929	/nfs/dbraw/zinc/45/49/29/586454929.db2.gz	ZWYBOHFMZFXDIS-UHFFFAOYSA-N	-1	1	332.404	0.664	20	10		ECCDMM
COc1ccc(O)c([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1	ZINC000826210244	588010348	/nfs/dbraw/zinc/01/03/48/588010348.db2.gz	JZOIUODKFUDQJX-MRVPVSSYSA-N	-1	1	344.335	0.050	20	10		ECCDMM
COc1ccc(N2CC[C@@H](CNC(=O)CCc3nn[n-]n3)C2)cc1	ZINC000868955414	589938027	/nfs/dbraw/zinc/93/80/27/589938027.db2.gz	KNNOBRSEDOLKDH-LBPRGKRZSA-N	-1	1	330.392	0.784	20	10		ECCDMM
C[C@@H](NC=C1C(=O)[N-]C(=S)NC1=O)c1ccc(-n2cncn2)cc1	ZINC000920979907	609696439	/nfs/dbraw/zinc/69/64/39/609696439.db2.gz	YYOFOWPSQURICH-SECBINFHSA-N	-1	1	342.384	0.333	20	10		ECCDMM
Cn1cc(N2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2=O)cn1	ZINC000295115196	436962983	/nfs/dbraw/zinc/96/29/83/436962983.db2.gz	LTEAPLJSXXKDRI-UHFFFAOYSA-N	-1	1	334.307	0.459	20	10		ECCDMM
COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278460059	437314527	/nfs/dbraw/zinc/31/45/27/437314527.db2.gz	ZQRUUIDWLDNPNH-NEPJUHHUSA-N	-1	1	340.332	0.807	20	10		ECCDMM
CN(C)S(=O)(=O)CCC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000784660594	578755119	/nfs/dbraw/zinc/75/51/19/578755119.db2.gz	NJORETJKCIOXBX-UHFFFAOYSA-N	-1	1	331.346	0.105	20	10		ECCDMM
C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(N(C)C)cc1	ZINC000773011192	579218496	/nfs/dbraw/zinc/21/84/96/579218496.db2.gz	DHDIOAGSFZBKAF-LBPRGKRZSA-N	-1	1	330.388	0.870	20	10		ECCDMM
CN(CC(=O)NCc1cccc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000890759037	586062301	/nfs/dbraw/zinc/06/23/01/586062301.db2.gz	AIAMQADVKBAXIB-NSHDSACASA-N	-1	1	346.836	0.781	20	10		ECCDMM
COCCN1C(=O)C(=CNCc2ccccc2OC)C(=O)[N-]C1=S	ZINC000060862456	436635161	/nfs/dbraw/zinc/63/51/61/436635161.db2.gz	FDSASTKAWCQWKJ-BENRWUELSA-N	-1	1	349.412	0.558	20	10		ECCDMM
NC(=O)CSCC(=O)NCc1cccc(Br)c1[O-]	ZINC000277590705	437235289	/nfs/dbraw/zinc/23/52/89/437235289.db2.gz	SKSOALAAILSAIP-UHFFFAOYSA-N	-1	1	333.207	0.989	20	10		ECCDMM
COc1c([O-])c(CN2CCS(=O)(=O)C[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000278284182	437299802	/nfs/dbraw/zinc/29/98/02/437299802.db2.gz	UCWWYZPDVBMDKF-VIFPVBQESA-N	-1	1	330.362	0.928	20	10		ECCDMM
COC(OC)C(=O)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000899262191	586479956	/nfs/dbraw/zinc/47/99/56/586479956.db2.gz	HAIMYJULFPOJBC-UHFFFAOYSA-N	-1	1	342.323	0.140	20	10		ECCDMM
Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc(O)c(O)c2)n1	ZINC000822620176	587669965	/nfs/dbraw/zinc/66/99/65/587669965.db2.gz	KITYHTJELBONQZ-UHFFFAOYSA-N	-1	1	344.335	0.376	20	10		ECCDMM
Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc(O)c(O)c2)n1	ZINC000822620176	587669966	/nfs/dbraw/zinc/66/99/66/587669966.db2.gz	KITYHTJELBONQZ-UHFFFAOYSA-N	-1	1	344.335	0.376	20	10		ECCDMM
CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000831915727	588456654	/nfs/dbraw/zinc/45/66/54/588456654.db2.gz	RPHWIAPFDWHIIY-SECBINFHSA-N	-1	1	346.380	0.781	20	10		ECCDMM
O=C1[N-]C(=S)NC(=O)C1=CNCCCn1cnc2ccccc21	ZINC000052529241	608885140	/nfs/dbraw/zinc/88/51/40/608885140.db2.gz	KQNBVXMIXNUAAP-UHFFFAOYSA-N	-1	1	329.385	0.431	20	10		ECCDMM
COCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](C)C(N)=O	ZINC000278283987	437298125	/nfs/dbraw/zinc/29/81/25/437298125.db2.gz	TYLKEOJTPZTIMN-VIFPVBQESA-N	-1	1	327.337	0.631	20	10		ECCDMM
CN(C)c1ccc(CNC(=O)CN2CC[C@@H](CNC(=O)[O-])C2)cc1	ZINC000739618401	579698319	/nfs/dbraw/zinc/69/83/19/579698319.db2.gz	MKMYLUMNMZCQQW-AWEZNQCLSA-N	-1	1	334.420	0.958	20	10		ECCDMM
CS(=O)(=O)N1CC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000895548631	586187599	/nfs/dbraw/zinc/18/75/99/586187599.db2.gz	BWNFFJMBGWTSAU-SNVBAGLBSA-N	-1	1	347.824	0.879	20	10		ECCDMM
CC(=O)c1cc(CN2CC[C@@H]2CO)c([O-])c(CN2CCOCC2)c1	ZINC000902629514	586750270	/nfs/dbraw/zinc/75/02/70/586750270.db2.gz	FZOAJIXWAKESGP-QGZVFWFLSA-N	-1	1	334.416	0.994	20	10		ECCDMM
Cn1nnc2c1C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CC2	ZINC000811345940	587217705	/nfs/dbraw/zinc/21/77/05/587217705.db2.gz	VLKPJBRELFGUBW-SNVBAGLBSA-N	-1	1	331.328	0.757	20	10		ECCDMM
NC(=O)CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S	ZINC000822868789	587686560	/nfs/dbraw/zinc/68/65/60/587686560.db2.gz	HMIAXQMXHJXCDH-XVNBXDOJSA-N	-1	1	336.358	0.146	20	10		ECCDMM
NC(=O)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S	ZINC000822868789	587686561	/nfs/dbraw/zinc/68/65/61/587686561.db2.gz	HMIAXQMXHJXCDH-XVNBXDOJSA-N	-1	1	336.358	0.146	20	10		ECCDMM
CCOC(=O)[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC12COC2	ZINC000833100769	588521766	/nfs/dbraw/zinc/52/17/66/588521766.db2.gz	KHQAVFLBQLMZNY-SECBINFHSA-N	-1	1	339.319	0.889	20	10		ECCDMM
NS(=O)(=O)C1(C(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000846014972	589182076	/nfs/dbraw/zinc/18/20/76/589182076.db2.gz	KRBUWFONQOBIIF-UHFFFAOYSA-N	-1	1	349.206	0.592	20	10		ECCDMM
CCN(CCCNC=C1C(=O)[N-]C(=S)NC1=O)c1ccccc1	ZINC000052536945	436509428	/nfs/dbraw/zinc/50/94/28/436509428.db2.gz	MLBLIFGAJGEKTD-UHFFFAOYSA-N	-1	1	332.429	0.907	20	10		ECCDMM
COCCn1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1=O	ZINC000783093310	578738185	/nfs/dbraw/zinc/73/81/85/578738185.db2.gz	NVAIAQZFHVALOK-UHFFFAOYSA-N	-1	1	347.323	0.946	20	10		ECCDMM
C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000790684425	578878278	/nfs/dbraw/zinc/87/82/78/578878278.db2.gz	JFSUUKDYSBRPDA-QGZVFWFLSA-N	-1	1	347.323	0.437	20	10		ECCDMM
CS(=O)(=O)NCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000738165104	579609375	/nfs/dbraw/zinc/60/93/75/579609375.db2.gz	LTHBQGXOSQJDCN-UHFFFAOYSA-N	-1	1	336.797	0.481	20	10		ECCDMM
CS(=O)(=O)NCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000738165104	579609377	/nfs/dbraw/zinc/60/93/77/579609377.db2.gz	LTHBQGXOSQJDCN-UHFFFAOYSA-N	-1	1	336.797	0.481	20	10		ECCDMM
CNS(=O)(=O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000825827387	587964345	/nfs/dbraw/zinc/96/43/45/587964345.db2.gz	QWTACSTZQYGLHW-QMMMGPOBSA-N	-1	1	332.353	0.391	20	10		ECCDMM
CNS(=O)(=O)NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000877489860	590467950	/nfs/dbraw/zinc/46/79/50/590467950.db2.gz	XELSKDSUXKTZPM-UHFFFAOYSA-N	-1	1	335.376	0.689	20	10		ECCDMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(O)cc1O	ZINC000912557135	609971472	/nfs/dbraw/zinc/97/14/72/609971472.db2.gz	SWNXKHDVRNVYBI-UHFFFAOYSA-N	-1	1	341.345	0.476	20	10		ECCDMM
CS(=O)(=O)NCCN(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000109761745	436626021	/nfs/dbraw/zinc/62/60/21/436626021.db2.gz	PZNNFOPKHVHISL-AWEZNQCLSA-N	-1	1	328.434	0.922	20	10		ECCDMM
COC(=O)[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278323629	437304522	/nfs/dbraw/zinc/30/45/22/437304522.db2.gz	YLMYKZCJQCEALF-NSHDSACASA-N	-1	1	326.305	0.683	20	10		ECCDMM
COc1ccc(O)c(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1	ZINC000737106362	578478605	/nfs/dbraw/zinc/47/86/05/578478605.db2.gz	RPDOSQULAGJYRZ-UHFFFAOYSA-N	-1	1	326.316	0.906	20	10		ECCDMM
COc1ccc(O)c(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1	ZINC000737106362	578478606	/nfs/dbraw/zinc/47/86/06/578478606.db2.gz	RPDOSQULAGJYRZ-UHFFFAOYSA-N	-1	1	326.316	0.906	20	10		ECCDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(OC)cc2O)co1	ZINC000794388410	578586647	/nfs/dbraw/zinc/58/66/47/578586647.db2.gz	SEHBBTPLWVGBCL-UHFFFAOYSA-N	-1	1	340.357	0.832	20	10		ECCDMM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+](C)CC(=O)[O-])c1	ZINC000738586153	579639985	/nfs/dbraw/zinc/63/99/85/579639985.db2.gz	PMQXEXZHUBSYQW-UHFFFAOYSA-N	-1	1	336.388	0.943	20	10		ECCDMM
COCC(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1	ZINC000278332872	437304258	/nfs/dbraw/zinc/30/42/58/437304258.db2.gz	ZQBVUNXWRDCYDO-UHFFFAOYSA-N	-1	1	339.348	0.600	20	10		ECCDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(OC)ccc2O)co1	ZINC000756003221	579443539	/nfs/dbraw/zinc/44/35/39/579443539.db2.gz	WXBLUPHFEAQPJD-UHFFFAOYSA-N	-1	1	340.357	0.832	20	10		ECCDMM
CN(C)S(=O)(=O)c1cnn(CC(=O)c2ccc([O-])c(O)c2)c1	ZINC000737405561	578495645	/nfs/dbraw/zinc/49/56/45/578495645.db2.gz	ICLUKBCZVCPUJD-UHFFFAOYSA-N	-1	1	325.346	0.428	20	10		ECCDMM
Cn1nnc(CNC(=O)NCc2cccc(Br)c2[O-])n1	ZINC000787437514	578807189	/nfs/dbraw/zinc/80/71/89/578807189.db2.gz	SWFZASFEACALRR-UHFFFAOYSA-N	-1	1	341.169	0.678	20	10		ECCDMM
C[C@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-]	ZINC000898846027	586454491	/nfs/dbraw/zinc/45/44/91/586454491.db2.gz	QCWPRGNBFPFASK-CYBMUJFWSA-N	-1	1	334.420	0.958	20	10		ECCDMM
COCCN1C(=O)C(=CN[C@@H]2CCCC[C@H]2C)C(=O)[N-]C1=S	ZINC000920978085	609696270	/nfs/dbraw/zinc/69/62/70/609696270.db2.gz	UGEVCDNREFCRCJ-UPZHYSAYSA-N	-1	1	325.434	0.928	20	10		ECCDMM
C[C@@H](CN1CCOCC1)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911483538	609882000	/nfs/dbraw/zinc/88/20/00/609882000.db2.gz	CMNOUEDYIAVFHW-ZDUSSCGKSA-N	-1	1	336.388	0.774	20	10		ECCDMM
COc1c([O-])c(CN2CCN(C(=O)[C@H](C)O)CC2)ccc1[N+](=O)[O-]	ZINC000278334824	437305151	/nfs/dbraw/zinc/30/51/51/437305151.db2.gz	ZRURSWIAPIRJDH-JTQLQIEISA-N	-1	1	339.348	0.334	20	10		ECCDMM
COc1c([O-])c(CN2CCO[C@@H](CNC(C)=O)C2)ccc1[N+](=O)[O-]	ZINC000278168526	437287118	/nfs/dbraw/zinc/28/71/18/437287118.db2.gz	FMVGMIJQWSKVJR-LBPRGKRZSA-N	-1	1	339.348	0.646	20	10		ECCDMM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)cn1	ZINC000758171586	579468153	/nfs/dbraw/zinc/46/81/53/579468153.db2.gz	VWPCGOAWXMXPPO-UHFFFAOYSA-N	-1	1	329.309	0.702	20	10		ECCDMM
Cc1cc(N(C)C)ccc1CNC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000734468479	578360619	/nfs/dbraw/zinc/36/06/19/578360619.db2.gz	XZFFBTPIGXYOLB-UHFFFAOYSA-N	-1	1	330.388	0.618	20	10		ECCDMM
O=C(NCC(=O)N1CCOCC1)NCc1cccc(Cl)c1[O-]	ZINC000894037055	586372208	/nfs/dbraw/zinc/37/22/08/586372208.db2.gz	VCQQMSLDBHNECO-UHFFFAOYSA-N	-1	1	327.768	0.704	20	10		ECCDMM
CC1(C)CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@@H]2COC[C@@H]21	ZINC000846261298	589194097	/nfs/dbraw/zinc/19/40/97/589194097.db2.gz	PRFDSCKQDQYZBH-NWDGAFQWSA-N	-1	1	332.360	0.990	20	10		ECCDMM
COc1ccc(N2CCCN(C(=O)CCc3nn[n-]n3)CC2)cc1	ZINC000864948802	590117748	/nfs/dbraw/zinc/11/77/48/590117748.db2.gz	AMMOMHLUYANYNN-UHFFFAOYSA-N	-1	1	330.392	0.880	20	10		ECCDMM
CN1CCO[C@H](C(=O)NCc2cccc(Br)c2[O-])C1=O	ZINC000907758793	609618926	/nfs/dbraw/zinc/61/89/26/609618926.db2.gz	UPVQDEUJNMCCOU-LLVKDONJSA-N	-1	1	343.177	0.628	20	10		ECCDMM
O=C1[N-]C(=S)NC(=O)C1=CNCCc1nc2ccccc2s1	ZINC000072851164	610930875	/nfs/dbraw/zinc/93/08/75/610930875.db2.gz	FVHNHRLJAKGPRL-UHFFFAOYSA-N	-1	1	332.410	0.843	20	10		ECCDMM
COC(=O)[C@H](NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O)C(C)C	ZINC000293206310	254580291	/nfs/dbraw/zinc/58/02/91/254580291.db2.gz	ZUMBRNCYGCPFCT-SDKXAQGSSA-N	-1	1	341.433	0.557	20	10		ECCDMM
CC(C)CN1C(=O)C(=CNCCCn2ccnc2)C(=O)[N-]C1=S	ZINC000028969449	436195110	/nfs/dbraw/zinc/19/51/10/436195110.db2.gz	LMTQNHBXFCDQLQ-WQLSENKSSA-N	-1	1	335.433	0.646	20	10		ECCDMM
O=C(c1ccccc1NC=C1C(=O)[N-]C(=S)NC1=O)N1CCCC1	ZINC000060864417	436634836	/nfs/dbraw/zinc/63/48/36/436634836.db2.gz	PRBVDESQUVKNDF-UHFFFAOYSA-N	-1	1	344.396	0.749	20	10		ECCDMM
COCCOCCOCCN(C)C(=O)c1c(F)ccc(O)c1[O-]	ZINC000296733332	436997937	/nfs/dbraw/zinc/99/79/37/436997937.db2.gz	OEEAYVVGMPFPKZ-UHFFFAOYSA-N	-1	1	331.340	0.989	20	10		ECCDMM
O=C(CNC(=O)c1cccc(O)c1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000784826503	578758054	/nfs/dbraw/zinc/75/80/54/578758054.db2.gz	PNCDHAZJHPWYQJ-UHFFFAOYSA-N	-1	1	345.307	0.959	20	10		ECCDMM
CC(=O)c1cc(Cl)cc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)c1[O-]	ZINC000778953613	579312867	/nfs/dbraw/zinc/31/28/67/579312867.db2.gz	PXFPWWOYYPOYTD-LBPRGKRZSA-N	-1	1	337.763	0.984	20	10		ECCDMM
Cn1nnc2c1C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CC2	ZINC000811345938	587217528	/nfs/dbraw/zinc/21/75/28/587217528.db2.gz	VLKPJBRELFGUBW-JTQLQIEISA-N	-1	1	331.328	0.757	20	10		ECCDMM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1nn[n-]n1	ZINC000864635081	590090191	/nfs/dbraw/zinc/09/01/91/590090191.db2.gz	RJVIAJKSULJQSE-UHFFFAOYSA-N	-1	1	330.392	0.628	20	10		ECCDMM
NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1c(F)ccc(O)c1O	ZINC000295295386	436964422	/nfs/dbraw/zinc/96/44/22/436964422.db2.gz	QNWFKAOYYRRLIO-SNVBAGLBSA-N	-1	1	325.340	0.307	20	10		ECCDMM
COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278460073	437314922	/nfs/dbraw/zinc/31/49/22/437314922.db2.gz	ZQRUUIDWLDNPNH-VXGBXAGGSA-N	-1	1	340.332	0.807	20	10		ECCDMM
O=C(CC(=O)OCC(=O)c1ccc([O-])c(O)c1)NCC(F)(F)F	ZINC000784599714	578754779	/nfs/dbraw/zinc/75/47/79/578754779.db2.gz	FMIQDNBGLUTKMR-UHFFFAOYSA-N	-1	1	335.234	0.892	20	10		ECCDMM
CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1cn[n-]n1)cc2=O	ZINC000805605007	586923919	/nfs/dbraw/zinc/92/39/19/586923919.db2.gz	HOUJGKGBZZOUBH-UHFFFAOYSA-N	-1	1	332.276	0.087	20	10		ECCDMM
Cc1ccnc2nc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)nn21	ZINC000916590182	609943220	/nfs/dbraw/zinc/94/32/20/609943220.db2.gz	GJAZGDRKTOJHPH-UHFFFAOYSA-N	-1	1	328.284	0.884	20	10		ECCDMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(O)cc1O	ZINC000912556912	609971742	/nfs/dbraw/zinc/97/17/42/609971742.db2.gz	QBZBGEMUVDQYDP-UHFFFAOYSA-N	-1	1	327.318	0.086	20	10		ECCDMM
CN(C)C(=O)CCN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000294942366	436961668	/nfs/dbraw/zinc/96/16/68/436961668.db2.gz	MBGOTFKQXLBODP-UHFFFAOYSA-N	-1	1	339.367	0.473	20	10		ECCDMM
CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1	ZINC000296181630	436986480	/nfs/dbraw/zinc/98/64/80/436986480.db2.gz	LQCHLNFDONOVDM-SECBINFHSA-N	-1	1	346.380	0.733	20	10		ECCDMM
CN(C)S(=O)(=O)N(C)CC(=O)NCc1cccc(Cl)c1[O-]	ZINC000890759163	586062177	/nfs/dbraw/zinc/06/21/77/586062177.db2.gz	FILVSJJBQANDOX-UHFFFAOYSA-N	-1	1	335.813	0.400	20	10		ECCDMM
COC(=O)c1ccc(C(=O)Nc2n[n-]c(C3=S=CC=C3)n2)n1C	ZINC000815338838	587288669	/nfs/dbraw/zinc/28/86/69/587288669.db2.gz	PTEIEIBDTRRPJO-UHFFFAOYSA-N	-1	1	331.357	0.808	20	10		ECCDMM
COC(=O)c1ccc(C(=O)Nc2nc(C3=S=CC=C3)n[n-]2)n1C	ZINC000815338838	587288671	/nfs/dbraw/zinc/28/86/71/587288671.db2.gz	PTEIEIBDTRRPJO-UHFFFAOYSA-N	-1	1	331.357	0.808	20	10		ECCDMM
CN(C)c1ccc(CN(C)C(=O)Cn2ccnc2-c2nnn[n-]2)cc1	ZINC000825965890	587976492	/nfs/dbraw/zinc/97/64/92/587976492.db2.gz	HGOBKJSWMWCJAC-UHFFFAOYSA-N	-1	1	340.391	0.788	20	10		ECCDMM
CN(C)c1ccc(CN(C)C(=O)Cn2ccnc2-c2nn[n-]n2)cc1	ZINC000825965890	587976494	/nfs/dbraw/zinc/97/64/94/587976494.db2.gz	HGOBKJSWMWCJAC-UHFFFAOYSA-N	-1	1	340.391	0.788	20	10		ECCDMM
COc1c([O-])c(CN2CC(NS(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000862485554	589941813	/nfs/dbraw/zinc/94/18/13/589941813.db2.gz	NUAXFLWDSMKRNB-UHFFFAOYSA-N	-1	1	331.350	0.042	20	10		ECCDMM
O=C1CCCN1c1ccc(CNC=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000052536783	436509805	/nfs/dbraw/zinc/50/98/05/436509805.db2.gz	APHHVTAQBYOJOU-UHFFFAOYSA-N	-1	1	344.396	0.318	20	10		ECCDMM
CC(C)CN1C(=O)C(=CNc2ccccc2C(N)=O)C(=O)[N-]C1=S	ZINC000060861534	436634884	/nfs/dbraw/zinc/63/48/84/436634884.db2.gz	NYTFEJPPXXFDQF-XFFZJAGNSA-N	-1	1	346.412	0.981	20	10		ECCDMM
COCCN1C(=O)C(=CNCc2ccc(F)cc2)C(=O)[N-]C1=S	ZINC000060862487	436635150	/nfs/dbraw/zinc/63/51/50/436635150.db2.gz	WPXNGMFDGPHBQC-XFXZXTDPSA-N	-1	1	337.376	0.689	20	10		ECCDMM
O=C(C[C@@H]1CCS(=O)(=O)C1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000782547507	578727436	/nfs/dbraw/zinc/72/74/36/578727436.db2.gz	BZYJCAIWVMIFDJ-VIFPVBQESA-N	-1	1	328.342	0.649	20	10		ECCDMM
COCCN1CCCN(C(=O)c2c(F)ccc(O)c2[O-])CC1=O	ZINC000791226373	578887697	/nfs/dbraw/zinc/88/76/97/578887697.db2.gz	YGZKVOUICZWQCN-UHFFFAOYSA-N	-1	1	326.324	0.558	20	10		ECCDMM
COc1c([O-])c(C[NH2+][C@H](C(=O)[O-])c2ccnn2C)ccc1[N+](=O)[O-]	ZINC000843038286	589047713	/nfs/dbraw/zinc/04/77/13/589047713.db2.gz	FYOKACAQSCBIRY-NSHDSACASA-N	-1	1	336.304	0.958	20	10		ECCDMM
CN(C)S(=O)(=O)CCNC(=O)NCc1cccc(Cl)c1[O-]	ZINC000894988993	586423446	/nfs/dbraw/zinc/42/34/46/586423446.db2.gz	POWXQOJNOFOTBR-UHFFFAOYSA-N	-1	1	335.813	0.736	20	10		ECCDMM
O=C(COC(=O)c1cn(C[C@@H]2CCOC2)nn1)c1ccc([O-])c(O)c1	ZINC000860127249	589746949	/nfs/dbraw/zinc/74/69/49/589746949.db2.gz	UMAFPRDPWFWONS-JTQLQIEISA-N	-1	1	347.327	0.766	20	10		ECCDMM
COc1c([O-])c(CN2CCN(c3nccnn3)CC2)ccc1[N+](=O)[O-]	ZINC000862443590	589941436	/nfs/dbraw/zinc/94/14/36/589941436.db2.gz	PVQDDZANPRBTEQ-UHFFFAOYSA-N	-1	1	346.347	0.816	20	10		ECCDMM
C[C@@H](NC(=O)CCc1nn[n-]n1)c1ccc(N2CCOCC2)cc1	ZINC000865018798	590120587	/nfs/dbraw/zinc/12/05/87/590120587.db2.gz	NWEBPYRRSHCKAT-GFCCVEGCSA-N	-1	1	330.392	0.846	20	10		ECCDMM
COc1c([O-])c([C@@H]2NC(=O)[C@H]3CSCCN23)ccc1[N+](=O)[O-]	ZINC000278231535	294904432	/nfs/dbraw/zinc/90/44/32/294904432.db2.gz	VEPCEFVRSFYBRL-BXKDBHETSA-N	-1	1	325.346	0.855	20	10		ECCDMM
COc1c([O-])c(CN2CC[C@@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000282896489	437022136	/nfs/dbraw/zinc/02/21/36/437022136.db2.gz	ZVJHOQKTUBTNGZ-SNVBAGLBSA-N	-1	1	330.362	0.928	20	10		ECCDMM
COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278335347	437304960	/nfs/dbraw/zinc/30/49/60/437304960.db2.gz	HEGPRBUFBMHUPV-GXSJLCMTSA-N	-1	1	326.305	0.417	20	10		ECCDMM
CS(=O)(=O)c1nnc(NC(=O)c2ccc(C3=S=CC=C3)o2)[n-]1	ZINC000341915690	437926628	/nfs/dbraw/zinc/92/66/28/437926628.db2.gz	DIIMGOLINDYFFM-UHFFFAOYSA-N	-1	1	338.370	0.679	20	10		ECCDMM
CS(=O)(=O)c1nc(NC(=O)c2ccc(C3=S=CC=C3)o2)n[n-]1	ZINC000341915690	437926632	/nfs/dbraw/zinc/92/66/32/437926632.db2.gz	DIIMGOLINDYFFM-UHFFFAOYSA-N	-1	1	338.370	0.679	20	10		ECCDMM
CC(C)N1CCc2c(c3ccccc3n2CC(=O)[N-]OCC(N)=O)C1	ZINC000768178518	579122703	/nfs/dbraw/zinc/12/27/03/579122703.db2.gz	ACZKBCFSAOREEW-UHFFFAOYSA-N	-1	1	344.415	0.941	20	10		ECCDMM
COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCO1	ZINC000774877595	579258071	/nfs/dbraw/zinc/25/80/71/579258071.db2.gz	LGGHWLZFODVLKD-LLVKDONJSA-N	-1	1	326.305	0.683	20	10		ECCDMM
CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1c(F)ccc(O)c1[O-]	ZINC000831334208	588421812	/nfs/dbraw/zinc/42/18/12/588421812.db2.gz	VFBRONAWVBIYNN-PSASIEDQSA-N	-1	1	346.380	0.685	20	10		ECCDMM
COc1c([O-])c(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000854242448	589576429	/nfs/dbraw/zinc/57/64/29/589576429.db2.gz	MHUIUMPPVIYRQY-MEBBXXQBSA-N	-1	1	338.316	0.842	20	10		ECCDMM
O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1c(F)ccc(O)c1[O-]	ZINC000881061892	590433434	/nfs/dbraw/zinc/43/34/34/590433434.db2.gz	AXZGSLDPPCJIJC-NSHDSACASA-N	-1	1	338.335	0.747	20	10		ECCDMM
COC(=O)c1ccc(Cl)cc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000920978820	609696522	/nfs/dbraw/zinc/69/65/22/609696522.db2.gz	SGRAGINNSTXMPY-UHFFFAOYSA-N	-1	1	339.760	0.953	20	10		ECCDMM
Cc1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1C	ZINC000273203866	436737621	/nfs/dbraw/zinc/73/76/21/436737621.db2.gz	QVNAAACZKUFYBX-UHFFFAOYSA-N	-1	1	325.350	0.453	20	10		ECCDMM
NC(=O)NC1(C(=O)NCc2cccc(Br)c2[O-])CC1	ZINC000277570639	437232885	/nfs/dbraw/zinc/23/28/85/437232885.db2.gz	QMKWDJUGGAQZAN-UHFFFAOYSA-N	-1	1	328.166	0.972	20	10		ECCDMM
COc1cc(Cl)cc(C[N@H+]2CCCN(S(N)(=O)=O)CC2)c1O	ZINC000360342752	437584646	/nfs/dbraw/zinc/58/46/46/437584646.db2.gz	KHEIMEWIZPRQPH-UHFFFAOYSA-N	-1	1	349.840	0.765	20	10		ECCDMM
NC(=O)[C@]1(O)CCCN(Cc2cc(Br)ccc2O)C1	ZINC000375528629	438258052	/nfs/dbraw/zinc/25/80/52/438258052.db2.gz	PSWFRRKRPWJYFE-ZDUSSCGKSA-N	-1	1	329.194	0.967	20	10		ECCDMM
CN1C(=O)C(=Cc2[nH]nc3cc(C(=O)[O-])ccc23)C(=O)N(C)C1=O	ZINC000765501085	579068035	/nfs/dbraw/zinc/06/80/35/579068035.db2.gz	UOXUEBJZPIVNDS-UHFFFAOYSA-N	-1	1	328.284	0.695	20	10		ECCDMM
COc1c([O-])c(CNCc2nnnn2CC2CC2)ccc1[N+](=O)[O-]	ZINC000775072721	579262083	/nfs/dbraw/zinc/26/20/83/579262083.db2.gz	ZKIZDOPQRUXUGR-UHFFFAOYSA-N	-1	1	334.336	0.995	20	10		ECCDMM
CC(C)(C)NS(=O)(=O)CCNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000825437922	587940701	/nfs/dbraw/zinc/94/07/01/587940701.db2.gz	MYKVIDBVHJEDMT-UHFFFAOYSA-N	-1	1	334.369	0.685	20	10		ECCDMM
NC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])O1	ZINC000861332414	589840252	/nfs/dbraw/zinc/84/02/52/589840252.db2.gz	ADDZYVFMDNVBHD-VHSXEESVSA-N	-1	1	343.177	0.804	20	10		ECCDMM
CC(=O)NCC(=O)N1CCCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000877655621	590476741	/nfs/dbraw/zinc/47/67/41/590476741.db2.gz	FIOWRUKPVLIOIK-UHFFFAOYSA-N	-1	1	341.358	0.841	20	10		ECCDMM
C[C@H](CN1CCOCC1)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911483537	609882106	/nfs/dbraw/zinc/88/21/06/609882106.db2.gz	CMNOUEDYIAVFHW-CYBMUJFWSA-N	-1	1	336.388	0.774	20	10		ECCDMM
CN(C[C@H](O)CN1CCOCC1)C(=O)c1c(F)ccc(O)c1[O-]	ZINC000276644040	437142514	/nfs/dbraw/zinc/14/25/14/437142514.db2.gz	VKDPJMACBSFVOA-JTQLQIEISA-N	-1	1	328.340	0.002	20	10		ECCDMM
COc1c([O-])c(CN(C)[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	ZINC000278219011	437291485	/nfs/dbraw/zinc/29/14/85/437291485.db2.gz	LFZRIQCMOALSJX-SNVBAGLBSA-N	-1	1	330.362	0.928	20	10		ECCDMM
CCCCS(=O)(=O)NCC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000784420801	578751710	/nfs/dbraw/zinc/75/17/10/578751710.db2.gz	ITENOGYOMVSDGT-UHFFFAOYSA-N	-1	1	345.373	0.543	20	10		ECCDMM
CN1C[C@H](C(=O)NCc2cccc(Br)c2[O-])NC1=O	ZINC000834475794	588901618	/nfs/dbraw/zinc/90/16/18/588901618.db2.gz	DFSQDOPDOJYRJY-SECBINFHSA-N	-1	1	328.166	0.795	20	10		ECCDMM
COc1ccc(O)c(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1	ZINC000821838819	587633050	/nfs/dbraw/zinc/63/30/50/587633050.db2.gz	PTKGEIWLFHSIGJ-UHFFFAOYSA-N	-1	1	344.335	0.636	20	10		ECCDMM
COc1ccc(O)c(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1	ZINC000821838819	587633051	/nfs/dbraw/zinc/63/30/51/587633051.db2.gz	PTKGEIWLFHSIGJ-UHFFFAOYSA-N	-1	1	344.335	0.636	20	10		ECCDMM
O=C(COC(=O)c1cn(C[C@H]2CCOC2)nn1)c1ccc([O-])c(O)c1	ZINC000860127251	589747003	/nfs/dbraw/zinc/74/70/03/589747003.db2.gz	UMAFPRDPWFWONS-SNVBAGLBSA-N	-1	1	347.327	0.766	20	10		ECCDMM
COc1ccc(N2CCC(NC(=O)CCc3nn[n-]n3)CC2)cc1	ZINC000865116065	590125857	/nfs/dbraw/zinc/12/58/57/590125857.db2.gz	ROQJOMNMSZMPRM-UHFFFAOYSA-N	-1	1	330.392	0.926	20	10		ECCDMM
O=C(CN1CCNC(=O)C1)NCc1cccc(Br)c1[O-]	ZINC000907756902	609618875	/nfs/dbraw/zinc/61/88/75/609618875.db2.gz	AKYLPBKNJQJRFD-UHFFFAOYSA-N	-1	1	342.193	0.203	20	10		ECCDMM
Cc1cc(N2CC[C@@H](NC(=O)c3c(F)ccc(O)c3[O-])C2=O)n(C)n1	ZINC000295014136	436962554	/nfs/dbraw/zinc/96/25/54/436962554.db2.gz	QCUMHTZQCBSLCH-SNVBAGLBSA-N	-1	1	348.334	0.814	20	10		ECCDMM
COc1c([O-])c(CN2CCO[C@H](CNC(C)=O)C2)ccc1[N+](=O)[O-]	ZINC000278168523	437287152	/nfs/dbraw/zinc/28/71/52/437287152.db2.gz	FMVGMIJQWSKVJR-GFCCVEGCSA-N	-1	1	339.348	0.646	20	10		ECCDMM
CNC(=O)NC(=O)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000737543935	578505523	/nfs/dbraw/zinc/50/55/23/578505523.db2.gz	XMAOUIOIOBJDKA-UHFFFAOYSA-N	-1	1	343.767	0.778	20	10		ECCDMM
CNC(=O)NC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000737543935	578505524	/nfs/dbraw/zinc/50/55/24/578505524.db2.gz	XMAOUIOIOBJDKA-UHFFFAOYSA-N	-1	1	343.767	0.778	20	10		ECCDMM
Cc1nnc2n1C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CC2	ZINC000784320714	578750663	/nfs/dbraw/zinc/75/06/63/578750663.db2.gz	DQDBFIDOTCAAMX-NSHDSACASA-N	-1	1	331.328	0.986	20	10		ECCDMM
Cn1cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)nn1	ZINC000904810751	586843779	/nfs/dbraw/zinc/84/37/79/586843779.db2.gz	FAYGTMLGSYGOCZ-UHFFFAOYSA-N	-1	1	336.333	0.609	20	10		ECCDMM
C[C@H](NC=C1C(=O)[N-]C(=S)NC1=O)c1ccc(-n2cncn2)cc1	ZINC000920979908	609696305	/nfs/dbraw/zinc/69/63/05/609696305.db2.gz	YYOFOWPSQURICH-VIFPVBQESA-N	-1	1	342.384	0.333	20	10		ECCDMM
COCCN1C(=O)C(=CNc2ccc(OC)cc2)C(=O)[N-]C1=S	ZINC000060861067	436635074	/nfs/dbraw/zinc/63/50/74/436635074.db2.gz	WQGJZJLCBMQZBL-XFXZXTDPSA-N	-1	1	335.385	0.881	20	10		ECCDMM
COc1ccc(N2CCN(C(=O)CN(C)CCC(=O)[O-])CC2)cc1	ZINC000269280904	436652281	/nfs/dbraw/zinc/65/22/81/436652281.db2.gz	FRIWEWOUGBOOOQ-UHFFFAOYSA-N	-1	1	335.404	0.750	20	10		ECCDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(O)c(O)c2)co1	ZINC000778918362	579312418	/nfs/dbraw/zinc/31/24/18/579312418.db2.gz	PDZTVMJEENIBTF-UHFFFAOYSA-N	-1	1	326.330	0.529	20	10		ECCDMM
CCOCCS(=O)(=O)[N-]Cc1nc(Cc2ccc(N)cc2)no1	ZINC000843162564	589052603	/nfs/dbraw/zinc/05/26/03/589052603.db2.gz	ZWYGBESLAKBCDR-UHFFFAOYSA-N	-1	1	340.405	0.699	20	10		ECCDMM
CN(Cc1ccccc1O)C(=O)Nc1nn(C)cc1-c1nnn[n-]1	ZINC000821616029	587606049	/nfs/dbraw/zinc/60/60/49/587606049.db2.gz	ZSMHEIHLYYZRRO-UHFFFAOYSA-N	-1	1	328.336	0.970	20	10		ECCDMM
CN(Cc1ccccc1O)C(=O)Nc1nn(C)cc1-c1nn[n-]n1	ZINC000821616029	587606051	/nfs/dbraw/zinc/60/60/51/587606051.db2.gz	ZSMHEIHLYYZRRO-UHFFFAOYSA-N	-1	1	328.336	0.970	20	10		ECCDMM
COc1ccc(O)c([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1	ZINC000826210245	588010394	/nfs/dbraw/zinc/01/03/94/588010394.db2.gz	JZOIUODKFUDQJX-QMMMGPOBSA-N	-1	1	344.335	0.050	20	10		ECCDMM
COc1ccc(N(C)CCN(C)[C@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC000852731069	589507892	/nfs/dbraw/zinc/50/78/92/589507892.db2.gz	ZNPRIOIFUPGOEL-HNNXBMFYSA-N	-1	1	335.404	0.749	20	10		ECCDMM
CNC(=O)CN(CC(=O)NC)Cc1cc(Cl)cc(C(C)=O)c1[O-]	ZINC000880152105	590372768	/nfs/dbraw/zinc/37/27/68/590372768.db2.gz	SPQYLVCCBUOSOG-UHFFFAOYSA-N	-1	1	341.795	0.542	20	10		ECCDMM
O=C(C[C@@H]1CC(=O)NC1=O)NCc1cccc(Br)c1[O-]	ZINC000935662900	611392478	/nfs/dbraw/zinc/39/24/78/611392478.db2.gz	KTRROSSNLJPYBC-MRVPVSSYSA-N	-1	1	341.161	0.824	20	10		ECCDMM
CCN(CCCNC(=O)c1c(F)ccc(O)c1[O-])S(C)(=O)=O	ZINC000276602713	437133343	/nfs/dbraw/zinc/13/33/43/437133343.db2.gz	OPGXIELWCJAMPN-UHFFFAOYSA-N	-1	1	334.369	0.638	20	10		ECCDMM
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278183855	437289029	/nfs/dbraw/zinc/28/90/29/437289029.db2.gz	HEGPRBUFBMHUPV-KOLCDFICSA-N	-1	1	326.305	0.417	20	10		ECCDMM
COc1c([O-])c([C@H]2NC(=O)[C@@H]3CSCCN32)ccc1[N+](=O)[O-]	ZINC000278231540	437293651	/nfs/dbraw/zinc/29/36/51/437293651.db2.gz	VEPCEFVRSFYBRL-CABZTGNLSA-N	-1	1	325.346	0.855	20	10		ECCDMM
COc1c([O-])c(CN2CCn3c(nn(C)c3=O)C2)ccc1[N+](=O)[O-]	ZINC000373209170	438136929	/nfs/dbraw/zinc/13/69/29/438136929.db2.gz	VMCOLOIGNYJZFG-UHFFFAOYSA-N	-1	1	335.320	0.220	20	10		ECCDMM
COCC(COC)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000839802133	586911315	/nfs/dbraw/zinc/91/13/15/586911315.db2.gz	JSAVGAQJPZZFHL-UHFFFAOYSA-N	-1	1	342.367	0.656	20	10		ECCDMM
CN(CCN1CCCS1(=O)=O)C(=O)c1c(F)ccc(O)c1[O-]	ZINC000844146198	589096461	/nfs/dbraw/zinc/09/64/61/589096461.db2.gz	MCTULHMWQQCVJW-UHFFFAOYSA-N	-1	1	332.353	0.344	20	10		ECCDMM
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000825981088	587977803	/nfs/dbraw/zinc/97/78/03/587977803.db2.gz	OLTMGKPQGIMGJS-UHFFFAOYSA-N	-1	1	346.372	0.788	20	10		ECCDMM
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000825981088	587977805	/nfs/dbraw/zinc/97/78/05/587977805.db2.gz	OLTMGKPQGIMGJS-UHFFFAOYSA-N	-1	1	346.372	0.788	20	10		ECCDMM
CN(C)c1ccc([C@H](CNC(=O)CCc2nc[nH]n2)NC(=O)[O-])cc1	ZINC000828064570	588156239	/nfs/dbraw/zinc/15/62/39/588156239.db2.gz	SZEZYLMYXPGOFE-ZDUSSCGKSA-N	-1	1	346.391	0.928	20	10		ECCDMM
COc1c([O-])c(CN2CCO[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000862535718	589942341	/nfs/dbraw/zinc/94/23/41/589942341.db2.gz	XAWKIWVPPNFFKI-JTQLQIEISA-N	-1	1	325.321	0.385	20	10		ECCDMM
CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000863944195	590046897	/nfs/dbraw/zinc/04/68/97/590046897.db2.gz	FABKDHSMBZDEKB-VIFPVBQESA-N	-1	1	346.380	0.638	20	10		ECCDMM
COCCN1C(=O)C(=CNc2ccc3c[nH]nc3c2)C(=O)NC1=S	ZINC000920976577	609695908	/nfs/dbraw/zinc/69/59/08/609695908.db2.gz	LEWITYCDEVLALW-FLIBITNWSA-N	-1	1	345.384	0.748	20	10		ECCDMM
COCCN1C(=O)C(=CNc2ccc3cn[nH]c3c2)C(=O)[N-]C1=S	ZINC000920976577	609695910	/nfs/dbraw/zinc/69/59/10/609695910.db2.gz	LEWITYCDEVLALW-FLIBITNWSA-N	-1	1	345.384	0.748	20	10		ECCDMM
COCCN1C(=O)C(=CNCc2cccc(OC)c2)C(=O)[N-]C1=S	ZINC000060863966	436635012	/nfs/dbraw/zinc/63/50/12/436635012.db2.gz	JPXQYDQWIAXXCS-RAXLEYEMSA-N	-1	1	349.412	0.558	20	10		ECCDMM
O=C(CN1CCOCC1=O)NCc1cccc(Br)c1[O-]	ZINC000280506241	436900674	/nfs/dbraw/zinc/90/06/74/436900674.db2.gz	PYWXVECLIZOUID-UHFFFAOYSA-N	-1	1	343.177	0.630	20	10		ECCDMM
CS(=O)(=O)N[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000789957835	578863945	/nfs/dbraw/zinc/86/39/45/578863945.db2.gz	XUDDKNFIKNTJLO-QMMMGPOBSA-N	-1	1	332.353	0.391	20	10		ECCDMM
CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000789957833	578863955	/nfs/dbraw/zinc/86/39/55/578863955.db2.gz	XUDDKNFIKNTJLO-MRVPVSSYSA-N	-1	1	332.353	0.391	20	10		ECCDMM
O=C(c1c(F)ccc(O)c1[O-])N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000790065409	578867479	/nfs/dbraw/zinc/86/74/79/578867479.db2.gz	NEYUXLXYQXVYKD-LBPRGKRZSA-N	-1	1	338.335	0.700	20	10		ECCDMM
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000773745974	579232875	/nfs/dbraw/zinc/23/28/75/579232875.db2.gz	ROXMDDOJEPJXHO-SNVBAGLBSA-N	-1	1	333.344	0.085	20	10		ECCDMM
CCOC(=O)c1cnn2c1[nH]c(CN1CCC(C(=O)[O-])CC1)cc2=O	ZINC000739482541	579690867	/nfs/dbraw/zinc/69/08/67/579690867.db2.gz	WBTGTFRTVGKJIU-UHFFFAOYSA-N	-1	1	348.359	0.908	20	10		ECCDMM
CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3cc(N)ncn3)no2)c1	ZINC000821002207	587568841	/nfs/dbraw/zinc/56/88/41/587568841.db2.gz	ISNADDRBXAXMBF-UHFFFAOYSA-N	-1	1	348.344	0.853	20	10		ECCDMM
O=C(COC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)c1ccc([O-])c(O)c1	ZINC000859918808	589726799	/nfs/dbraw/zinc/72/67/99/589726799.db2.gz	IGYPICOMYOJJKG-VWPFQQQWSA-N	-1	1	348.307	0.544	20	10		ECCDMM
CN(C)C(=O)CN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000823709629	611285055	/nfs/dbraw/zinc/28/50/55/611285055.db2.gz	ZGMDVQASLSBGIT-UHFFFAOYSA-N	-1	1	325.340	0.083	20	10		ECCDMM
CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000294787610	436961723	/nfs/dbraw/zinc/96/17/23/436961723.db2.gz	AYJHCCWIMNGTAJ-WPRPVWTQSA-N	-1	1	346.380	0.685	20	10		ECCDMM
COc1c([O-])c(CN2CCCS(=O)(=O)CC2)ccc1[N+](=O)[O-]	ZINC000375718829	438260393	/nfs/dbraw/zinc/26/03/93/438260393.db2.gz	LTYOZBIZULQNBO-UHFFFAOYSA-N	-1	1	330.362	0.930	20	10		ECCDMM
O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783323421	578741191	/nfs/dbraw/zinc/74/11/91/578741191.db2.gz	FRAQSNHRMPYTQD-UHFFFAOYSA-N	-1	1	348.267	0.594	20	10		ECCDMM
CC(=O)N1CSC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783518108	578742378	/nfs/dbraw/zinc/74/23/78/578742378.db2.gz	ZNNMONMKXWETKH-JTQLQIEISA-N	-1	1	325.342	0.745	20	10		ECCDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(O)c(O)c2)co1	ZINC000762275464	579539617	/nfs/dbraw/zinc/53/96/17/579539617.db2.gz	QWDWEBWNFKFSGC-UHFFFAOYSA-N	-1	1	340.357	0.571	20	10		ECCDMM
CN(C)c1ccc([C@@H](CNC(=O)CCc2nn[n-]n2)[NH+](C)C)cc1	ZINC000891246130	586089024	/nfs/dbraw/zinc/08/90/24/586089024.db2.gz	MJTBOOFTSRBANV-CQSZACIVSA-N	-1	1	331.424	0.617	20	10		ECCDMM
CN(C)c1ccc([C@@H](CNC(=O)CCc2nn[nH]n2)[NH+](C)C)cc1	ZINC000891246130	586089025	/nfs/dbraw/zinc/08/90/25/586089025.db2.gz	MJTBOOFTSRBANV-CQSZACIVSA-N	-1	1	331.424	0.617	20	10		ECCDMM
CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1c(F)ccc(O)c1[O-]	ZINC000831334213	588421826	/nfs/dbraw/zinc/42/18/26/588421826.db2.gz	VFBRONAWVBIYNN-SCZZXKLOSA-N	-1	1	346.380	0.685	20	10		ECCDMM
CN(C)c1ccc(CN(C)C(=O)CN2CCC(O)(C(=O)[O-])CC2)cc1	ZINC000833694751	588559695	/nfs/dbraw/zinc/55/96/95/588559695.db2.gz	BZQJLAUFYDRKGQ-UHFFFAOYSA-N	-1	1	349.431	0.623	20	10		ECCDMM
COc1ccc(N2CCCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)cc1	ZINC000852726472	589507726	/nfs/dbraw/zinc/50/77/26/589507726.db2.gz	PKKLZTHUFXJQKQ-MRXNPFEDSA-N	-1	1	347.415	0.893	20	10		ECCDMM
COc1ccc(N2CCN(C(=O)CCc3nn[n-]n3)CC2)cc1F	ZINC000866459172	589743370	/nfs/dbraw/zinc/74/33/70/589743370.db2.gz	INGOOLKCSWIIEN-UHFFFAOYSA-N	-1	1	334.355	0.629	20	10		ECCDMM
C[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000858570168	589757605	/nfs/dbraw/zinc/75/76/05/589757605.db2.gz	UKRNJSWTGUZTMU-VIFPVBQESA-N	-1	1	344.393	0.442	20	10		ECCDMM
COC(=O)CCN(C)S(=O)(=O)NCc1cccc(Cl)c1[O-]	ZINC000908329958	609651680	/nfs/dbraw/zinc/65/16/80/609651680.db2.gz	XRWYDUSLQPOMGO-UHFFFAOYSA-N	-1	1	336.797	0.875	20	10		ECCDMM
CN1CCO[C@H](CS(=O)(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000908326959	609651721	/nfs/dbraw/zinc/65/17/21/609651721.db2.gz	GJNWCIRSOPLEQQ-NSHDSACASA-N	-1	1	334.825	0.796	20	10		ECCDMM
O=C(NCCS(=O)(=O)NCC1CCC1)c1c(F)ccc(O)c1[O-]	ZINC000276569005	254544691	/nfs/dbraw/zinc/54/46/91/254544691.db2.gz	KEVLWBCKXPYCDF-UHFFFAOYSA-N	-1	1	346.380	0.686	20	10		ECCDMM
CCCCOCCCNC=C1C(=O)[N-]C(=S)N(CCOC)C1=O	ZINC000060862620	436635024	/nfs/dbraw/zinc/63/50/24/436635024.db2.gz	AVOZEDDLDGUOEG-QXMHVHEDSA-N	-1	1	343.449	0.556	20	10		ECCDMM
COCCN1C(=O)C(=CNc2cccc(OC)c2)C(=O)[N-]C1=S	ZINC000060860824	436635095	/nfs/dbraw/zinc/63/50/95/436635095.db2.gz	ANLTYMZPVGCZEM-XFXZXTDPSA-N	-1	1	335.385	0.881	20	10		ECCDMM
CS(=O)(=O)N1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000294746701	436960271	/nfs/dbraw/zinc/96/02/71/436960271.db2.gz	CTZUCTWZALLJLE-MRVPVSSYSA-N	-1	1	332.353	0.391	20	10		ECCDMM
CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000294787606	436961534	/nfs/dbraw/zinc/96/15/34/436961534.db2.gz	AYJHCCWIMNGTAJ-PSASIEDQSA-N	-1	1	346.380	0.685	20	10		ECCDMM
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1	ZINC000731054337	578310306	/nfs/dbraw/zinc/31/03/06/578310306.db2.gz	BWGHVPSVYVJUQU-UHFFFAOYSA-N	-1	1	328.371	0.840	20	10		ECCDMM
CS(=O)(=O)C1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCC1	ZINC000796185122	578623343	/nfs/dbraw/zinc/62/33/43/578623343.db2.gz	HVWLSELCSXVOIL-UHFFFAOYSA-N	-1	1	328.342	0.791	20	10		ECCDMM
O=C(COC(=O)[C@]12CCC(=O)N1CCS2)c1ccc([O-])c(O)c1	ZINC000782486794	578725938	/nfs/dbraw/zinc/72/59/38/578725938.db2.gz	ZFNHPYSCGJHDFD-OAHLLOKOSA-N	-1	1	337.353	0.889	20	10		ECCDMM
COc1ncnc(OC)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783512496	578742282	/nfs/dbraw/zinc/74/22/82/578742282.db2.gz	JCYYXMROZLHEGV-UHFFFAOYSA-N	-1	1	334.284	0.945	20	10		ECCDMM
COCCN1C(=O)C2(CC2)N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000840838227	588973832	/nfs/dbraw/zinc/97/38/32/588973832.db2.gz	YWCUUKYWIQKFHD-ZDUSSCGKSA-N	-1	1	337.332	0.918	20	10		ECCDMM
CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c(F)ccc(O)c1[O-]	ZINC000831334215	588421725	/nfs/dbraw/zinc/42/17/25/588421725.db2.gz	VFBRONAWVBIYNN-WCBMZHEXSA-N	-1	1	346.380	0.685	20	10		ECCDMM
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3c(F)ccc(O)c3[O-])C[C@H]21	ZINC000857327907	589693143	/nfs/dbraw/zinc/69/31/43/589693143.db2.gz	HLJJBUCNRGRSKX-XROYCOCOSA-N	-1	1	345.348	0.121	20	10		ECCDMM
CN(C)[S@@](C)(=O)=NS(=O)(=O)NCc1cccc(Cl)c1[O-]	ZINC000908327301	609651710	/nfs/dbraw/zinc/65/17/10/609651710.db2.gz	GWYAWLCWSVXHGA-IBGZPJMESA-N	-1	1	341.842	0.954	20	10		ECCDMM
O=C(CCN1CCCS1(=O)=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783056096	578737789	/nfs/dbraw/zinc/73/77/89/578737789.db2.gz	MCCOUVGWSRMLDO-UHFFFAOYSA-N	-1	1	343.357	0.249	20	10		ECCDMM
COCC(=O)N[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)C	ZINC000783824136	578746763	/nfs/dbraw/zinc/74/67/63/578746763.db2.gz	PNNKQMJXIJOGEH-HNNXBMFYSA-N	-1	1	339.344	0.611	20	10		ECCDMM
Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000784056883	578748876	/nfs/dbraw/zinc/74/88/76/578748876.db2.gz	YRXKPMHKHWCTDU-UHFFFAOYSA-N	-1	1	333.296	0.700	20	10		ECCDMM
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1c(F)ccc(O)c1[O-]	ZINC000826700855	588079245	/nfs/dbraw/zinc/07/92/45/588079245.db2.gz	NMDXCBFSFIAARV-QMMMGPOBSA-N	-1	1	332.353	0.391	20	10		ECCDMM
O=C(c1c([O-])c(O)ccc1F)N1CCN(S(=O)(=O)C2CC2)CC1	ZINC000530272771	302000935	/nfs/dbraw/zinc/00/09/35/302000935.db2.gz	JBTVHCBIOWHBOT-UHFFFAOYSA-N	-1	1	344.364	0.487	20	10		ECCDMM
O=C(CCCN1C(=O)CCC1=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000782921713	578735749	/nfs/dbraw/zinc/73/57/49/578735749.db2.gz	XKZQVOITOGCZIX-UHFFFAOYSA-N	-1	1	335.312	0.753	20	10		ECCDMM
COc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nn1C	ZINC000775075095	579262132	/nfs/dbraw/zinc/26/21/32/579262132.db2.gz	DIHAPNJYJYQBBC-UHFFFAOYSA-N	-1	1	340.361	0.758	20	10		ECCDMM
CCN1CCN(CC(=O)NCc2cccc(Cl)c2[O-])C(=O)C1=O	ZINC000890757738	586062325	/nfs/dbraw/zinc/06/23/25/586062325.db2.gz	JXADDESBLRYQHG-UHFFFAOYSA-N	-1	1	339.779	0.353	20	10		ECCDMM
O=C(CCCc1nn[n-]n1)NCc1ccc(N2CCOCC2)cc1	ZINC000874154916	590223124	/nfs/dbraw/zinc/22/31/24/590223124.db2.gz	LXMMINOGKPEQTL-UHFFFAOYSA-N	-1	1	330.392	0.675	20	10		ECCDMM
COc1ccc(N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)c(OC)c1	ZINC000879463328	590313319	/nfs/dbraw/zinc/31/33/19/590313319.db2.gz	WBHKXQBWNQWBJK-UHFFFAOYSA-N	-1	1	333.392	0.448	20	10		ECCDMM
O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(N2CCOCC2)cc1	ZINC000920974545	609695943	/nfs/dbraw/zinc/69/59/43/609695943.db2.gz	PKPMJRBZNRHAOG-UHFFFAOYSA-N	-1	1	332.385	0.350	20	10		ECCDMM
COCCOCCCNC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	ZINC000052529272	436508875	/nfs/dbraw/zinc/50/88/75/436508875.db2.gz	ZJIGUGLMRYCPFN-XFXZXTDPSA-N	-1	1	343.449	0.412	20	10		ECCDMM
CS(=O)(=O)N1CCCN(C(=O)c2c([O-])c(O)ccc2F)CC1	ZINC000276506845	437119476	/nfs/dbraw/zinc/11/94/76/437119476.db2.gz	INPZICWVTULMHP-UHFFFAOYSA-N	-1	1	332.353	0.344	20	10		ECCDMM
COc1c([O-])c(CN2CCN3C(=O)N(C)C[C@H]3C2)ccc1[N+](=O)[O-]	ZINC000369695283	438505393	/nfs/dbraw/zinc/50/53/93/438505393.db2.gz	QLCQPXPYGHJFDJ-NSHDSACASA-N	-1	1	336.348	0.861	20	10		ECCDMM
COC[C@H]1C(=O)N[C@@H](c2cc(O)cc(Br)c2[O-])N1C	ZINC000840828735	588973665	/nfs/dbraw/zinc/97/36/65/588973665.db2.gz	LKPKEYINZYYPAU-GXSJLCMTSA-N	-1	1	331.166	0.936	20	10		ECCDMM
CN(Cc1ccccc1O)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC000806855586	587109399	/nfs/dbraw/zinc/10/93/99/587109399.db2.gz	RXAUFHSLCICIKH-UHFFFAOYSA-N	-1	1	339.355	0.645	20	10		ECCDMM
C[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000858570166	589757747	/nfs/dbraw/zinc/75/77/47/589757747.db2.gz	UKRNJSWTGUZTMU-SECBINFHSA-N	-1	1	344.393	0.442	20	10		ECCDMM
O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1c(F)ccc(O)c1[O-]	ZINC000881061891	590433430	/nfs/dbraw/zinc/43/34/30/590433430.db2.gz	AXZGSLDPPCJIJC-LLVKDONJSA-N	-1	1	338.335	0.747	20	10		ECCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nncn2C2CC2)c1	ZINC000285820991	437086955	/nfs/dbraw/zinc/08/69/55/437086955.db2.gz	NTQACMCYLBUSEY-UHFFFAOYSA-N	-1	1	337.361	0.942	20	10		ECCDMM
O=C(CNC(=O)c1ccc(O)cc1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783417746	578741879	/nfs/dbraw/zinc/74/18/79/578741879.db2.gz	GKYFXRRYTODISA-UHFFFAOYSA-N	-1	1	345.307	0.959	20	10		ECCDMM
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])O1	ZINC000789997961	578865299	/nfs/dbraw/zinc/86/52/99/578865299.db2.gz	QSUIKBKIQUNSOQ-LDYMZIIASA-N	-1	1	326.324	0.603	20	10		ECCDMM
O=C(CCn1cc[n-]c(=O)c1=O)NCc1c(O)ccc2c1CCCC2	ZINC000743717843	579801540	/nfs/dbraw/zinc/80/15/40/579801540.db2.gz	SGOMJDFYKWSVBA-UHFFFAOYSA-N	-1	1	343.383	0.828	20	10		ECCDMM
CCS(=O)(=O)C1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1	ZINC000841885436	586176797	/nfs/dbraw/zinc/17/67/97/586176797.db2.gz	ADAZOLUJXYKVHI-UHFFFAOYSA-N	-1	1	330.362	0.928	20	10		ECCDMM
O=C(C[C@@H]1C=CS(=O)(=O)C1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000782565673	586934565	/nfs/dbraw/zinc/93/45/65/586934565.db2.gz	OQVHVQRTMHYHIO-VIFPVBQESA-N	-1	1	326.326	0.772	20	10		ECCDMM
CCN1CCN(c2ccc(CNC(=O)c3nc(=O)[nH][n-]3)cc2F)CC1	ZINC000106922445	589255287	/nfs/dbraw/zinc/25/52/87/589255287.db2.gz	DNFOMPKWWGUUHJ-UHFFFAOYSA-N	-1	1	348.382	0.309	20	10		ECCDMM
COC(=O)CCNC(=O)CCNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000863940298	590046669	/nfs/dbraw/zinc/04/66/69/590046669.db2.gz	ASXXPCZPFZLWGS-UHFFFAOYSA-N	-1	1	328.296	0.036	20	10		ECCDMM
CCO[N-]C(=O)CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1	ZINC000883763806	590663163	/nfs/dbraw/zinc/66/31/63/590663163.db2.gz	IYORTLLNNLKVRD-UHFFFAOYSA-N	-1	1	349.435	0.305	20	10		ECCDMM
COc1cc([N+](=O)[O-])c(N2CCN(CC(=O)[O-])CC2)cc1OC	ZINC000321843060	752295464	/nfs/dbraw/zinc/29/54/64/752295464.db2.gz	FPJRLHXZKIPWHL-UHFFFAOYSA-N	-1	1	325.321	0.819	20	10		ECCDMM
CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000782482265	578725800	/nfs/dbraw/zinc/72/58/00/578725800.db2.gz	IAYUZUGKZDDEPH-JTQLQIEISA-N	-1	1	343.357	0.248	20	10		ECCDMM
CN(CC(=O)NCc1cccc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000890759036	586062218	/nfs/dbraw/zinc/06/22/18/586062218.db2.gz	AIAMQADVKBAXIB-LLVKDONJSA-N	-1	1	346.836	0.781	20	10		ECCDMM
CN(C)[S@](C)(=O)=NS(=O)(=O)NCc1cccc(Cl)c1[O-]	ZINC000908327302	609651751	/nfs/dbraw/zinc/65/17/51/609651751.db2.gz	GWYAWLCWSVXHGA-LJQANCHMSA-N	-1	1	341.842	0.954	20	10		ECCDMM
CC(C)CNC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000060864313	436634859	/nfs/dbraw/zinc/63/48/59/436634859.db2.gz	SHXJTVMGCVBOSL-UHFFFAOYSA-N	-1	1	346.412	0.899	20	10		ECCDMM
CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000294787607	436962436	/nfs/dbraw/zinc/96/24/36/436962436.db2.gz	AYJHCCWIMNGTAJ-SCZZXKLOSA-N	-1	1	346.380	0.685	20	10		ECCDMM
COc1c([O-])c(CN2CCN(C(=O)[C@@H](C)O)CC2)ccc1[N+](=O)[O-]	ZINC000278334829	437304590	/nfs/dbraw/zinc/30/45/90/437304590.db2.gz	ZRURSWIAPIRJDH-SNVBAGLBSA-N	-1	1	339.348	0.334	20	10		ECCDMM
C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000790684423	578878274	/nfs/dbraw/zinc/87/82/74/578878274.db2.gz	JFSUUKDYSBRPDA-KRWDZBQOSA-N	-1	1	347.323	0.437	20	10		ECCDMM
CO[C@@]1(C(=O)NCc2cccc(Cl)c2[O-])CCS(=O)(=O)C1	ZINC000890763197	586062522	/nfs/dbraw/zinc/06/25/22/586062522.db2.gz	RABHEOJWICYMQC-ZDUSSCGKSA-N	-1	1	333.793	0.866	20	10		ECCDMM
COc1ccc(N(C)CCN(C)[C@@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC000852731070	589507751	/nfs/dbraw/zinc/50/77/51/589507751.db2.gz	ZNPRIOIFUPGOEL-OAHLLOKOSA-N	-1	1	335.404	0.749	20	10		ECCDMM
COCCN1C[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1=O	ZINC000800132493	590718407	/nfs/dbraw/zinc/71/84/07/590718407.db2.gz	SRFLAUBXWNQLSX-NSHDSACASA-N	-1	1	337.328	0.319	20	10		ECCDMM
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)Cc1ccccc1O	ZINC000109771866	436625790	/nfs/dbraw/zinc/62/57/90/436625790.db2.gz	VZPZXTBCNQYCNK-JTQLQIEISA-N	-1	1	346.387	0.075	20	10		ECCDMM
CC(C)CN1C(=O)C(=CNNc2ncncc2F)C(=O)[N-]C1=S	ZINC000292036985	437651142	/nfs/dbraw/zinc/65/11/42/437651142.db2.gz	QYQDOTVUNHAEIA-BAQGIRSFSA-N	-1	1	338.368	0.315	20	10		ECCDMM
CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783603618	578743100	/nfs/dbraw/zinc/74/31/00/578743100.db2.gz	AWZRVVGOGMOWAI-UHFFFAOYSA-N	-1	1	345.373	0.542	20	10		ECCDMM
C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1cccc(Cl)c1[O-]	ZINC000890759075	586062328	/nfs/dbraw/zinc/06/23/28/586062328.db2.gz	BMJGBIGIWSLEBC-PRHODGIISA-N	-1	1	326.780	0.937	20	10		ECCDMM
Cc1cc(Br)c([O-])c(CN2C[C@H](O)C[C@H]2C(N)=O)c1	ZINC000895367317	586178350	/nfs/dbraw/zinc/17/83/50/586178350.db2.gz	BLWOOFCPMIWDEA-KOLCDFICSA-N	-1	1	329.194	0.884	20	10		ECCDMM
CN1C(=O)CC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1=O	ZINC000895459367	586183791	/nfs/dbraw/zinc/18/37/91/586183791.db2.gz	RRIDBMADIKHCLE-SNVBAGLBSA-N	-1	1	325.752	0.992	20	10		ECCDMM
COc1c([O-])c(CN2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000775058690	586915021	/nfs/dbraw/zinc/91/50/21/586915021.db2.gz	XCDTUXISFIIGIM-JTQLQIEISA-N	-1	1	336.304	0.045	20	10		ECCDMM
COc1c([O-])c(CN2CCN3C(=O)NC(=O)[C@H]3C2)ccc1[N+](=O)[O-]	ZINC000775058692	586915043	/nfs/dbraw/zinc/91/50/43/586915043.db2.gz	XCDTUXISFIIGIM-SNVBAGLBSA-N	-1	1	336.304	0.045	20	10		ECCDMM
O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCNC1=O	ZINC000852409305	589494572	/nfs/dbraw/zinc/49/45/72/589494572.db2.gz	NBAIDCLYCMBFEI-VIFPVBQESA-N	-1	1	328.166	0.842	20	10		ECCDMM
COCCN1C(=O)C(=CNc2ccccc2OC)C(=O)[N-]C1=S	ZINC000060860832	436634794	/nfs/dbraw/zinc/63/47/94/436634794.db2.gz	BLWIAQKBIUAMIA-KTKRTIGZSA-N	-1	1	335.385	0.881	20	10		ECCDMM
Cn1nnc2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cnc21	ZINC000784688016	578755393	/nfs/dbraw/zinc/75/53/93/578755393.db2.gz	QJTRQAZPJCGZMD-UHFFFAOYSA-N	-1	1	328.284	0.814	20	10		ECCDMM
COCCCNC(=O)CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000774822256	579257009	/nfs/dbraw/zinc/25/70/09/579257009.db2.gz	ZAPIDFMBZQRGAF-UHFFFAOYSA-N	-1	1	341.364	0.894	20	10		ECCDMM
O=C(NCc1cccc(Br)c1[O-])C1(n2cnnn2)CC1	ZINC000834476195	588901640	/nfs/dbraw/zinc/90/16/40/588901640.db2.gz	QUOMADOVFLNOEK-UHFFFAOYSA-N	-1	1	338.165	0.947	20	10		ECCDMM
O=C(CN1CCN(C2CC2)C1=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000850188367	589360018	/nfs/dbraw/zinc/36/00/18/589360018.db2.gz	VMUADLOCYUHLII-UHFFFAOYSA-N	-1	1	334.328	0.724	20	10		ECCDMM
CN(OCC(F)(F)F)C(=O)CNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000857424641	589695468	/nfs/dbraw/zinc/69/54/68/589695468.db2.gz	DQJBKWMCVJEROT-UHFFFAOYSA-N	-1	1	340.229	0.919	20	10		ECCDMM
CN1CCO[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1=O	ZINC000907758796	609618809	/nfs/dbraw/zinc/61/88/09/609618809.db2.gz	UPVQDEUJNMCCOU-NSHDSACASA-N	-1	1	343.177	0.628	20	10		ECCDMM
COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)c2ccc([O-])c(O)c2)c1	ZINC000915123276	609905153	/nfs/dbraw/zinc/90/51/53/609905153.db2.gz	OEZUCLNZVZIDEL-UHFFFAOYSA-N	-1	1	348.267	0.837	20	10		ECCDMM
CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])N1CCS(=O)CC1	ZINC000294767891	436960490	/nfs/dbraw/zinc/96/04/90/436960490.db2.gz	BPXOTDRAIDWUEL-UHFFFAOYSA-N	-1	1	344.408	0.810	20	10		ECCDMM
COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278335362	437305253	/nfs/dbraw/zinc/30/52/53/437305253.db2.gz	HEGPRBUFBMHUPV-ONGXEEELSA-N	-1	1	326.305	0.417	20	10		ECCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)o1	ZINC000768900324	579134615	/nfs/dbraw/zinc/13/46/15/579134615.db2.gz	UDMGGTGWUSGNRM-UHFFFAOYSA-N	-1	1	340.357	0.571	20	10		ECCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cnccc2CO)c1	ZINC000777439820	579298191	/nfs/dbraw/zinc/29/81/91/579298191.db2.gz	OBZDKXAUQXWXLM-UHFFFAOYSA-N	-1	1	337.357	0.903	20	10		ECCDMM
Nc1nsc(N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n1	ZINC000295062535	436961386	/nfs/dbraw/zinc/96/13/86/436961386.db2.gz	HHWCAPAWVQNDCR-UHFFFAOYSA-N	-1	1	339.352	0.633	20	10		ECCDMM
Cn1cc(N2CC[C@H](NC(=O)c3c(F)ccc(O)c3[O-])C2=O)cn1	ZINC000276582931	437132015	/nfs/dbraw/zinc/13/20/15/437132015.db2.gz	LTYSZEAOICNOJD-JTQLQIEISA-N	-1	1	334.307	0.506	20	10		ECCDMM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3CCC2CC3)c1	ZINC000373730527	438166355	/nfs/dbraw/zinc/16/63/55/438166355.db2.gz	WPQCIIHODYELFR-UHFFFAOYSA-N	-1	1	339.417	0.684	20	10		ECCDMM
Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783263906	578740596	/nfs/dbraw/zinc/74/05/96/578740596.db2.gz	HXPZWEGXQIESOC-UHFFFAOYSA-N	-1	1	335.272	0.937	20	10		ECCDMM
O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC(=O)NC(=O)N1	ZINC000834476115	588901802	/nfs/dbraw/zinc/90/18/02/588901802.db2.gz	NYFQPXNVSRZNFG-QMMMGPOBSA-N	-1	1	342.149	0.369	20	10		ECCDMM
Cn1nnc2c1nccc2C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000801498321	586998065	/nfs/dbraw/zinc/99/80/65/586998065.db2.gz	VOEQCXIADABHCF-UHFFFAOYSA-N	-1	1	328.284	0.814	20	10		ECCDMM
NC(=O)CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S	ZINC000822868783	587686403	/nfs/dbraw/zinc/68/64/03/587686403.db2.gz	HMIAXQMXHJXCDH-CLTKARDFSA-N	-1	1	336.358	0.146	20	10		ECCDMM
NC(=O)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S	ZINC000822868783	587686404	/nfs/dbraw/zinc/68/64/04/587686404.db2.gz	HMIAXQMXHJXCDH-CLTKARDFSA-N	-1	1	336.358	0.146	20	10		ECCDMM
CC[N@H+]1CC[C@H]1CNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000887316002	590960187	/nfs/dbraw/zinc/96/01/87/590960187.db2.gz	HTAPTDOCWZWREQ-AWEZNQCLSA-N	-1	1	335.404	0.797	20	10		ECCDMM
CCN1CC[C@H]1CNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000887316002	590960189	/nfs/dbraw/zinc/96/01/89/590960189.db2.gz	HTAPTDOCWZWREQ-AWEZNQCLSA-N	-1	1	335.404	0.797	20	10		ECCDMM
CN(C)c1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1	ZINC000858883672	611325435	/nfs/dbraw/zinc/32/54/35/611325435.db2.gz	VCJXCFLAMVQWLH-UHFFFAOYSA-N	-1	1	339.377	0.873	20	10		ECCDMM
COC(=O)CCCNC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	ZINC000060864527	436634678	/nfs/dbraw/zinc/63/46/78/436634678.db2.gz	FNXKBNBDPKZBQW-YFHOEESVSA-N	-1	1	327.406	0.312	20	10		ECCDMM
COCCN1C(=O)C(=CNCCCOC(C)C)C(=O)[N-]C1=S	ZINC000060863421	436635142	/nfs/dbraw/zinc/63/51/42/436635142.db2.gz	RNCMYJNFSGOBII-LUAWRHEFSA-N	-1	1	329.422	0.165	20	10		ECCDMM
Cc1cc(N2CC[C@H](NC(=O)c3c(F)ccc(O)c3[O-])C2=O)n(C)n1	ZINC000295014135	436962311	/nfs/dbraw/zinc/96/23/11/436962311.db2.gz	QCUMHTZQCBSLCH-JTQLQIEISA-N	-1	1	348.334	0.814	20	10		ECCDMM
CC(=O)c1cc(Cl)cc(CN2CCN(CC(N)=O)CC2)c1[O-]	ZINC000177048719	437165230	/nfs/dbraw/zinc/16/52/30/437165230.db2.gz	DXBRWCAPKMUVGY-UHFFFAOYSA-N	-1	1	325.796	0.851	20	10		ECCDMM
Cn1cnn(CC(=O)NCc2cccc(Br)c2[O-])c1=O	ZINC000277585445	437235847	/nfs/dbraw/zinc/23/58/47/437235847.db2.gz	RVPUIJNXCOKBDL-UHFFFAOYSA-N	-1	1	341.165	0.366	20	10		ECCDMM
CNC(=O)NC[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1	ZINC000530273837	439496101	/nfs/dbraw/zinc/49/61/01/439496101.db2.gz	OOSALBFQBFTIBD-QMMMGPOBSA-N	-1	1	327.312	0.007	20	10		ECCDMM
CS(=O)(=O)N1CC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000895548630	586187616	/nfs/dbraw/zinc/18/76/16/586187616.db2.gz	BWNFFJMBGWTSAU-JTQLQIEISA-N	-1	1	347.824	0.879	20	10		ECCDMM
O=C(NCCCN1CCCS1(=O)=O)c1c(F)ccc(O)c1[O-]	ZINC000825682963	587956206	/nfs/dbraw/zinc/95/62/06/587956206.db2.gz	GQTAWTWBVDJEMV-UHFFFAOYSA-N	-1	1	332.353	0.392	20	10		ECCDMM
COc1ccc(N2CCCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)cc1	ZINC000852726471	589507887	/nfs/dbraw/zinc/50/78/87/589507887.db2.gz	PKKLZTHUFXJQKQ-INIZCTEOSA-N	-1	1	347.415	0.893	20	10		ECCDMM
COCCN1C(=O)C(=CNCc2ccccc2F)C(=O)[N-]C1=S	ZINC000060863773	436634942	/nfs/dbraw/zinc/63/49/42/436634942.db2.gz	OWCMLUGZGKXAFA-LUAWRHEFSA-N	-1	1	337.376	0.689	20	10		ECCDMM
Cc1nc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nn1C	ZINC000293602206	436892838	/nfs/dbraw/zinc/89/28/38/436892838.db2.gz	CYGNLVDMWGOAQE-UHFFFAOYSA-N	-1	1	325.350	0.453	20	10		ECCDMM
COC(=O)[C@H]1COCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278323624	437304134	/nfs/dbraw/zinc/30/41/34/437304134.db2.gz	YLMYKZCJQCEALF-LLVKDONJSA-N	-1	1	326.305	0.683	20	10		ECCDMM
COc1c([O-])c(CN(C)CC(=O)N2CCOCC2)ccc1[N+](=O)[O-]	ZINC000278229475	437293236	/nfs/dbraw/zinc/29/32/36/437293236.db2.gz	MNGMNHQARCORST-UHFFFAOYSA-N	-1	1	339.348	0.600	20	10		ECCDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(OC)c2O)co1	ZINC000756002322	579443433	/nfs/dbraw/zinc/44/34/33/579443433.db2.gz	KEHDNKIPNURNLV-UHFFFAOYSA-N	-1	1	340.357	0.832	20	10		ECCDMM
O=C(COC(=O)[C@@H]1CCCCS1(=O)=O)c1ccc([O-])c(O)c1	ZINC000784783653	578757481	/nfs/dbraw/zinc/75/74/81/578757481.db2.gz	ONHRGDMPSSRXEF-ZDUSSCGKSA-N	-1	1	328.342	0.791	20	10		ECCDMM
Cc1nnc(CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)[nH]1	ZINC000825898715	587971078	/nfs/dbraw/zinc/97/10/78/587971078.db2.gz	FLSFFNYPLRMBFF-UHFFFAOYSA-N	-1	1	335.339	0.621	20	10		ECCDMM
NS(=O)(=O)CCCCCC(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000845195078	589137091	/nfs/dbraw/zinc/13/70/91/589137091.db2.gz	UVCZQTBZASTRFV-UHFFFAOYSA-N	-1	1	345.373	0.673	20	10		ECCDMM
CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000863944193	590046578	/nfs/dbraw/zinc/04/65/78/590046578.db2.gz	FABKDHSMBZDEKB-SECBINFHSA-N	-1	1	346.380	0.638	20	10		ECCDMM
COCCN1C(=O)C(=CNc2ccnn2C(C)C)C(=O)[N-]C1=S	ZINC000060864664	436635088	/nfs/dbraw/zinc/63/50/88/436635088.db2.gz	ZXDNJJSMAVFADE-NTMALXAHSA-N	-1	1	337.405	0.650	20	10		ECCDMM
Cn1cc(N2CC[C@@H](NC(=O)c3c(F)ccc(O)c3[O-])C2=O)cn1	ZINC000276582934	437132226	/nfs/dbraw/zinc/13/22/26/437132226.db2.gz	LTYSZEAOICNOJD-SNVBAGLBSA-N	-1	1	334.307	0.506	20	10		ECCDMM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(O)c2O)c1	ZINC000812362131	587236359	/nfs/dbraw/zinc/23/63/59/587236359.db2.gz	QUVAUTXUPVUOGT-UHFFFAOYSA-N	-1	1	338.341	0.964	20	10		ECCDMM
COCCOc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])nn1	ZINC000857263020	589691478	/nfs/dbraw/zinc/69/14/78/589691478.db2.gz	SWWHERLZSBDZAS-UHFFFAOYSA-N	-1	1	337.307	0.982	20	10		ECCDMM
COc1ccc(N2CCN(C(=O)CCc3nn[n-]n3)CC2)c(OC)c1	ZINC000870166801	590004950	/nfs/dbraw/zinc/00/49/50/590004950.db2.gz	VBWKOYIZLWPUSG-UHFFFAOYSA-N	-1	1	346.391	0.498	20	10		ECCDMM
O=C(Nc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1)C1CC1	ZINC000010352685	591191451	/nfs/dbraw/zinc/19/14/51/591191451.db2.gz	KNYJLIGVFYIUQD-UHFFFAOYSA-N	-1	1	330.369	0.862	20	10		ECCDMM
COCCN1C(=O)C(=CNc2cccnc2Cl)C(=O)[N-]C1=S	ZINC000920976507	609696119	/nfs/dbraw/zinc/69/61/19/609696119.db2.gz	VSSKIORIXIFOLZ-BQYQJAHWSA-N	-1	1	340.792	0.921	20	10		ECCDMM
CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)CO)CC2)c1[O-]	ZINC000152643457	767568473	/nfs/dbraw/zinc/56/84/73/767568473.db2.gz	QYGKILIPDLDLJL-UHFFFAOYSA-N	-1	1	326.780	0.885	20	10		ECCDMM
COCCN1C(=O)C(=CNc2ccc(N(C)C)cc2)C(=O)[N-]C1=S	ZINC000299264472	437062946	/nfs/dbraw/zinc/06/29/46/437062946.db2.gz	NIKXDCBBRQBFKH-RAXLEYEMSA-N	-1	1	348.428	0.938	20	10		ECCDMM
COC(=O)[C@H]1[C@@H](O)CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278460063	437314685	/nfs/dbraw/zinc/31/46/85/437314685.db2.gz	ZQRUUIDWLDNPNH-NWDGAFQWSA-N	-1	1	340.332	0.807	20	10		ECCDMM
COc1c([O-])c(CN2CCS(=O)(=O)C[C@H]2C)ccc1[N+](=O)[O-]	ZINC000278284179	437298557	/nfs/dbraw/zinc/29/85/57/437298557.db2.gz	UCWWYZPDVBMDKF-SECBINFHSA-N	-1	1	330.362	0.928	20	10		ECCDMM
CNC(=O)NC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1	ZINC000530273835	439496718	/nfs/dbraw/zinc/49/67/18/439496718.db2.gz	OOSALBFQBFTIBD-MRVPVSSYSA-N	-1	1	327.312	0.007	20	10		ECCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(OC)ccc2O)o1	ZINC000734016380	578351659	/nfs/dbraw/zinc/35/16/59/578351659.db2.gz	NQPQZQPSYXEEPB-UHFFFAOYSA-N	-1	1	340.357	0.832	20	10		ECCDMM
Cn1c(=O)n2c(c1C(=O)OCC(=O)c1ccc([O-])c(O)c1)CCCC2	ZINC000837827744	588962489	/nfs/dbraw/zinc/96/24/89/588962489.db2.gz	NZFXRFHGDDBBKH-UHFFFAOYSA-N	-1	1	346.339	0.974	20	10		ECCDMM
COCCN1C(=O)C(=CN[C@@H]2CCCC[C@@H]2C)C(=O)[N-]C1=S	ZINC000920978082	609696337	/nfs/dbraw/zinc/69/63/37/609696337.db2.gz	UGEVCDNREFCRCJ-BJLXZBBLSA-N	-1	1	325.434	0.928	20	10		ECCDMM
CCCNC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000920980198	609696531	/nfs/dbraw/zinc/69/65/31/609696531.db2.gz	CEKMMEVVZOYJIY-UHFFFAOYSA-N	-1	1	332.385	0.653	20	10		ECCDMM
CC(C)NC(=O)CN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000276581794	437131355	/nfs/dbraw/zinc/13/13/55/437131355.db2.gz	OTFQNQNDNKFCSP-UHFFFAOYSA-N	-1	1	339.367	0.519	20	10		ECCDMM
O=C(Cc1nc2ncccn2n1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000782883869	578735249	/nfs/dbraw/zinc/73/52/49/578735249.db2.gz	LVEUGYBITYTBIT-UHFFFAOYSA-N	-1	1	328.284	0.504	20	10		ECCDMM
O=C(CNC(=O)c1ccccn1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783763974	578745740	/nfs/dbraw/zinc/74/57/40/578745740.db2.gz	WYEFCQPURIBJLG-UHFFFAOYSA-N	-1	1	330.296	0.649	20	10		ECCDMM
C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)c1ccc([O-])c(O)c1	ZINC000783948134	578747533	/nfs/dbraw/zinc/74/75/33/578747533.db2.gz	HWHYDMAYSZKGEH-RMLUDKJBSA-N	-1	1	337.328	0.099	20	10		ECCDMM
CCCN(C)S(=O)(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000790407254	578873335	/nfs/dbraw/zinc/87/33/35/578873335.db2.gz	KAUHSDUNOCWSLU-UHFFFAOYSA-N	-1	1	337.423	0.299	20	10		ECCDMM
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCn1cc[n-]c(=O)c1=O	ZINC000773745971	579232920	/nfs/dbraw/zinc/23/29/20/579232920.db2.gz	ROXMDDOJEPJXHO-JTQLQIEISA-N	-1	1	333.344	0.085	20	10		ECCDMM
NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1	ZINC000817920017	587392071	/nfs/dbraw/zinc/39/20/71/587392071.db2.gz	YOQFYDNEGCSGCM-UHFFFAOYSA-N	-1	1	328.371	0.840	20	10		ECCDMM
CN(C)c1ccc(CNC(=O)Cn2ccnc2-c2nnn[n-]2)cc1	ZINC000825879105	587968391	/nfs/dbraw/zinc/96/83/91/587968391.db2.gz	HFQFWHADVCYARQ-UHFFFAOYSA-N	-1	1	326.364	0.446	20	10		ECCDMM
CN(C)c1ccc(CNC(=O)Cn2ccnc2-c2nn[n-]n2)cc1	ZINC000825879105	587968393	/nfs/dbraw/zinc/96/83/93/587968393.db2.gz	HFQFWHADVCYARQ-UHFFFAOYSA-N	-1	1	326.364	0.446	20	10		ECCDMM
COCCN1C(=O)C(=CNc2ccc3c(c2)OCO3)C(=O)[N-]C1=S	ZINC000060860744	436634799	/nfs/dbraw/zinc/63/47/99/436634799.db2.gz	GMYPGDWUJDYUON-YFHOEESVSA-N	-1	1	349.368	0.601	20	10		ECCDMM
COCC(=O)N(C)CC(=O)NCc1cccc(Br)c1[O-]	ZINC000277617696	437238803	/nfs/dbraw/zinc/23/88/03/437238803.db2.gz	VWJQUYUTBBPABF-UHFFFAOYSA-N	-1	1	345.193	0.876	20	10		ECCDMM
CS(=O)(=O)N1CCC(CNC(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000789995499	578865069	/nfs/dbraw/zinc/86/50/69/578865069.db2.gz	YVLAXBWKHHXDLK-UHFFFAOYSA-N	-1	1	346.380	0.638	20	10		ECCDMM
CN1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])NC1=O	ZINC000834475795	588901778	/nfs/dbraw/zinc/90/17/78/588901778.db2.gz	DFSQDOPDOJYRJY-VIFPVBQESA-N	-1	1	328.166	0.795	20	10		ECCDMM
CCS(=O)(=O)N(C)CCCNC(=O)c1c(F)ccc(O)c1[O-]	ZINC000789957623	578863943	/nfs/dbraw/zinc/86/39/43/578863943.db2.gz	SJPPYLBCZQNGBF-UHFFFAOYSA-N	-1	1	334.369	0.638	20	10		ECCDMM
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])O1	ZINC000789997857	578865259	/nfs/dbraw/zinc/86/52/59/578865259.db2.gz	QSUIKBKIQUNSOQ-KCJUWKMLSA-N	-1	1	326.324	0.603	20	10		ECCDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)o1	ZINC000768915015	579134954	/nfs/dbraw/zinc/13/49/54/579134954.db2.gz	QZLVPZQSECNGNN-UHFFFAOYSA-N	-1	1	326.330	0.529	20	10		ECCDMM
NC(=O)NC(=O)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000739166924	579671262	/nfs/dbraw/zinc/67/12/62/579671262.db2.gz	LRYOPZUBDUYYHR-UHFFFAOYSA-N	-1	1	329.740	0.517	20	10		ECCDMM
NC(=O)NC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000739166924	579671263	/nfs/dbraw/zinc/67/12/63/579671263.db2.gz	LRYOPZUBDUYYHR-UHFFFAOYSA-N	-1	1	329.740	0.517	20	10		ECCDMM
O=C(Nc1ccc(-c2nnco2)cc1)C1=S=C(c2nn[n-]n2)C=C1	ZINC000823303467	587714707	/nfs/dbraw/zinc/71/47/07/587714707.db2.gz	JHKSQOWMZHAEQP-UHFFFAOYSA-N	-1	1	339.340	0.884	20	10		ECCDMM
O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCS(=O)(=O)N1	ZINC000846014347	589182087	/nfs/dbraw/zinc/18/20/87/589182087.db2.gz	INSFXZGFQNMAIK-VIFPVBQESA-N	-1	1	349.206	0.463	20	10		ECCDMM
O=C(c1c([O-])c(O)ccc1F)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1	ZINC000881455540	590456704	/nfs/dbraw/zinc/45/67/04/590456704.db2.gz	XNAVRROYJNIUHG-IUCAKERBSA-N	-1	1	329.349	0.744	20	10		ECCDMM
CN1CCO[C@@H](CS(=O)(=O)NCc2cccc(Cl)c2[O-])C1	ZINC000908326957	609651645	/nfs/dbraw/zinc/65/16/45/609651645.db2.gz	GJNWCIRSOPLEQQ-LLVKDONJSA-N	-1	1	334.825	0.796	20	10		ECCDMM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1	ZINC000912527325	609965420	/nfs/dbraw/zinc/96/54/20/609965420.db2.gz	DKXHUHYEQLGCEX-UHFFFAOYSA-N	-1	1	338.389	0.741	20	10		ECCDMM
CCN(CC)C(=O)c1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000060864542	436635153	/nfs/dbraw/zinc/63/51/53/436635153.db2.gz	BJSXWJQOJGIFHB-UHFFFAOYSA-N	-1	1	346.412	0.995	20	10		ECCDMM
O=C(COC(=O)[C@@]12CCC(=O)N1CCS2)c1ccc([O-])c(O)c1	ZINC000782486793	578725942	/nfs/dbraw/zinc/72/59/42/578725942.db2.gz	ZFNHPYSCGJHDFD-HNNXBMFYSA-N	-1	1	337.353	0.889	20	10		ECCDMM
COC(=O)c1cnc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cn1	ZINC000784602292	578754852	/nfs/dbraw/zinc/75/48/52/578754852.db2.gz	NJPYCJRMDZFFDY-UHFFFAOYSA-N	-1	1	332.268	0.714	20	10		ECCDMM
O=C(COC(=O)[C@@H]1COCCN1CC(F)F)c1ccc([O-])c(O)c1	ZINC000786947861	578797902	/nfs/dbraw/zinc/79/79/02/578797902.db2.gz	QEMPSNBAVZIRDK-JTQLQIEISA-N	-1	1	345.298	0.790	20	10		ECCDMM
C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1cccc(Cl)c1[O-]	ZINC000890759077	586062169	/nfs/dbraw/zinc/06/21/69/586062169.db2.gz	BMJGBIGIWSLEBC-UFBFGSQYSA-N	-1	1	326.780	0.937	20	10		ECCDMM
COC(=O)C(C)(C)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000829000728	588214298	/nfs/dbraw/zinc/21/42/98/588214298.db2.gz	FXBTXTCVFYEFGK-UHFFFAOYSA-N	-1	1	340.351	0.946	20	10		ECCDMM
CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1c(F)ccc(O)c1[O-]	ZINC000831334217	588421761	/nfs/dbraw/zinc/42/17/61/588421761.db2.gz	VFBRONAWVBIYNN-WPRPVWTQSA-N	-1	1	346.380	0.685	20	10		ECCDMM
O=C(c1c([O-])c(O)ccc1F)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1	ZINC000881455539	590456859	/nfs/dbraw/zinc/45/68/59/590456859.db2.gz	XNAVRROYJNIUHG-DTWKUNHWSA-N	-1	1	329.349	0.744	20	10		ECCDMM
C[NH+]1CCN(c2ccc(CNC(=O)CCc3nn[n-]n3)cc2)CC1	ZINC000918839130	610019679	/nfs/dbraw/zinc/01/96/79/610019679.db2.gz	QBTWNSNWIVSGCZ-UHFFFAOYSA-N	-1	1	329.408	0.201	20	10		ECCDMM
CNS(=O)(=O)CC(=O)NCc1cccc(Br)c1[O-]	ZINC000277619530	437238059	/nfs/dbraw/zinc/23/80/59/437238059.db2.gz	WDRAVRNQNVGMLE-UHFFFAOYSA-N	-1	1	337.195	0.320	20	10		ECCDMM
CC1(Cn2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)nn2)COC1	ZINC000784708991	578755673	/nfs/dbraw/zinc/75/56/73/578755673.db2.gz	DUPUDOHMFDDSFF-UHFFFAOYSA-N	-1	1	347.327	0.766	20	10		ECCDMM
CN(C)c1ccc2c(c1)OCCN2C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000742952606	579793261	/nfs/dbraw/zinc/79/32/61/579793261.db2.gz	NNUKAVAVVCZAFM-UHFFFAOYSA-N	-1	1	344.371	0.418	20	10		ECCDMM
CN(C)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1	ZINC000821589542	587602870	/nfs/dbraw/zinc/60/28/70/587602870.db2.gz	SBMJTBRPCLSWOC-UHFFFAOYSA-N	-1	1	341.379	0.988	20	10		ECCDMM
CN(C)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1	ZINC000821589542	587602871	/nfs/dbraw/zinc/60/28/71/587602871.db2.gz	SBMJTBRPCLSWOC-UHFFFAOYSA-N	-1	1	341.379	0.988	20	10		ECCDMM
COC(=O)[C@@H](NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O)C(C)C	ZINC000060864251	436635062	/nfs/dbraw/zinc/63/50/62/436635062.db2.gz	ZUMBRNCYGCPFCT-YAEJEKNGSA-N	-1	1	341.433	0.557	20	10		ECCDMM
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(O)c2O)CC1	ZINC000279763628	436839087	/nfs/dbraw/zinc/83/90/87/436839087.db2.gz	FDWBRIRKGMTDAS-CYBMUJFWSA-N	-1	1	333.388	0.476	20	10		ECCDMM
O=C(CNC(=O)c1cccnc1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000784210716	578749801	/nfs/dbraw/zinc/74/98/01/578749801.db2.gz	GKDPUVXCUZMZDP-UHFFFAOYSA-N	-1	1	330.296	0.649	20	10		ECCDMM
C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1cccc(Cl)c1[O-]	ZINC000890759076	586062224	/nfs/dbraw/zinc/06/22/24/586062224.db2.gz	BMJGBIGIWSLEBC-QPUJVOFHSA-N	-1	1	326.780	0.937	20	10		ECCDMM
O=C(NCCN1C(=O)CCC1=O)NCc1cccc(Cl)c1[O-]	ZINC000892965290	586303969	/nfs/dbraw/zinc/30/39/69/586303969.db2.gz	HLEQAPCFHILQHT-UHFFFAOYSA-N	-1	1	325.752	0.994	20	10		ECCDMM
COc1ccc(N2CCN(C(=O)COC(=O)c3cn[n-]n3)CC2)cc1	ZINC000805604583	586923259	/nfs/dbraw/zinc/92/32/59/586923259.db2.gz	BYPDBXKCMJSCDJ-UHFFFAOYSA-N	-1	1	345.359	0.319	20	10		ECCDMM
O=C(Cn1nc2n(c1=O)CCCC2)OCC(=O)c1ccc([O-])c(O)c1	ZINC000845230583	589139318	/nfs/dbraw/zinc/13/93/18/589139318.db2.gz	NDTZVVVZKYGYCP-UHFFFAOYSA-N	-1	1	347.327	0.218	20	10		ECCDMM
O=C(NCc1cccc(Br)c1[O-])[C@H]1CCS(=O)(=O)N1	ZINC000846014346	589182070	/nfs/dbraw/zinc/18/20/70/589182070.db2.gz	INSFXZGFQNMAIK-SECBINFHSA-N	-1	1	349.206	0.463	20	10		ECCDMM
CC(C)(C)n1nnc(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)n1	ZINC000849866681	589352123	/nfs/dbraw/zinc/35/21/23/589352123.db2.gz	OXUAFQLAIQLLFH-UHFFFAOYSA-N	-1	1	334.332	0.808	20	10		ECCDMM
COc1c([O-])c(C[N@H+]2CCC[C@](O)(C(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000375530366	438258980	/nfs/dbraw/zinc/25/89/80/438258980.db2.gz	VBCTZULJAZFDAP-CQSZACIVSA-N	-1	1	325.321	0.121	20	10		ECCDMM
NS(=O)(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])s1	ZINC000790069954	578867588	/nfs/dbraw/zinc/86/75/88/578867588.db2.gz	HGEMDUYLPRBBSV-UHFFFAOYSA-N	-1	1	346.361	0.876	20	10		ECCDMM
COCCOCc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000762246553	579539162	/nfs/dbraw/zinc/53/91/62/579539162.db2.gz	YCRLWZGLTKHXNX-UHFFFAOYSA-N	-1	1	343.361	0.977	20	10		ECCDMM
O=C([O-])C[N@H+](CCN1C(=O)CNC1=O)Cc1cc(Cl)ccc1[O-]	ZINC000739785633	579712738	/nfs/dbraw/zinc/71/27/38/579712738.db2.gz	QOAYHXXRMBSQGZ-UHFFFAOYSA-N	-1	1	341.751	0.484	20	10		ECCDMM
O=C([O-])C[N@@H+](CCN1C(=O)CNC1=O)Cc1cc(Cl)ccc1[O-]	ZINC000739785633	579712739	/nfs/dbraw/zinc/71/27/39/579712739.db2.gz	QOAYHXXRMBSQGZ-UHFFFAOYSA-N	-1	1	341.751	0.484	20	10		ECCDMM
C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1cccc(Cl)c1[O-]	ZINC000890759074	586062203	/nfs/dbraw/zinc/06/22/03/586062203.db2.gz	BMJGBIGIWSLEBC-PELKAZGASA-N	-1	1	326.780	0.937	20	10		ECCDMM
COc1c([O-])c(CN2CC(OCC(=O)N(C)C)C2)ccc1[N+](=O)[O-]	ZINC000839139071	586839432	/nfs/dbraw/zinc/83/94/32/586839432.db2.gz	SVVQWCCVPNURAG-UHFFFAOYSA-N	-1	1	339.348	0.598	20	10		ECCDMM
O=C(C[C@H]1C=CS(=O)(=O)C1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000782565672	586934364	/nfs/dbraw/zinc/93/43/64/586934364.db2.gz	OQVHVQRTMHYHIO-SECBINFHSA-N	-1	1	326.326	0.772	20	10		ECCDMM
Cc1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nnn1C	ZINC000857538798	589699120	/nfs/dbraw/zinc/69/91/20/589699120.db2.gz	JUHSKKYQCRJUNZ-UHFFFAOYSA-N	-1	1	325.350	0.453	20	10		ECCDMM
C[C@H](NC(=O)CCc1nn[n-]n1)c1ccc(N2CCOCC2)cc1	ZINC000865018799	590120942	/nfs/dbraw/zinc/12/09/42/590120942.db2.gz	NWEBPYRRSHCKAT-LBPRGKRZSA-N	-1	1	330.392	0.846	20	10		ECCDMM
CCN1CCN(c2ccc(CNC(=O)CNC(=O)[O-])cc2F)CC1	ZINC000285519606	254562681	/nfs/dbraw/zinc/56/26/81/254562681.db2.gz	BVDRPOXUUNXSJJ-UHFFFAOYSA-N	-1	1	338.383	0.851	20	10		ECCDMM
COc1cc(N2CCN(Cc3nc(=O)[n-][nH]3)CC2)cc(OC)c1OC	ZINC000273643330	436773735	/nfs/dbraw/zinc/77/37/35/436773735.db2.gz	VBDNMOSYODJFQG-UHFFFAOYSA-N	-1	1	349.391	0.446	20	10		ECCDMM
CN(C)c1n[nH]c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1	ZINC000285944757	437086797	/nfs/dbraw/zinc/08/67/97/437086797.db2.gz	IEMQSNDJFIECPL-UHFFFAOYSA-N	-1	1	340.365	0.200	20	10		ECCDMM
CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1	ZINC000276542726	437123813	/nfs/dbraw/zinc/12/38/13/437123813.db2.gz	GJRBREWQZQFULQ-MRVPVSSYSA-N	-1	1	332.353	0.391	20	10		ECCDMM
O=C(C[C@H]1CCS(=O)(=O)C1)OCC(=O)c1ccc([O-])c(O)c1	ZINC000782547506	578727376	/nfs/dbraw/zinc/72/73/76/578727376.db2.gz	BZYJCAIWVMIFDJ-SECBINFHSA-N	-1	1	328.342	0.649	20	10		ECCDMM
CNC(=O)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cn1	ZINC000783458467	578742101	/nfs/dbraw/zinc/74/21/01/578742101.db2.gz	XYZILSVRUWOXFX-UHFFFAOYSA-N	-1	1	330.296	0.892	20	10		ECCDMM
O=C(COC(=O)c1ccc2n[nH]c(=O)n2c1)c1ccc([O-])c(O)c1	ZINC000784425764	578751826	/nfs/dbraw/zinc/75/18/26/578751826.db2.gz	GRXGACKVLDOSDY-UHFFFAOYSA-N	-1	1	329.268	0.886	20	10		ECCDMM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2c[nH]c(C(N)=O)c2)c1	ZINC000769978002	579157000	/nfs/dbraw/zinc/15/70/00/579157000.db2.gz	JVMLZODPBWVLEA-UHFFFAOYSA-N	-1	1	338.345	0.443	20	10		ECCDMM
CC(=O)c1cc(Cl)cc(CN2CCN(CC(N)=O)C(=O)C2)c1[O-]	ZINC000839178504	586839951	/nfs/dbraw/zinc/83/99/51/586839951.db2.gz	GWMWZJDGVMLIMH-UHFFFAOYSA-N	-1	1	339.779	0.378	20	10		ECCDMM
O=C(CCc1nn[n-]n1)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000864931112	590116650	/nfs/dbraw/zinc/11/66/50/590116650.db2.gz	JHBIEHUJTWPVPU-UHFFFAOYSA-N	-1	1	334.355	0.424	20	10		ECCDMM
COCCOCCN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1	ZINC000880806690	590419878	/nfs/dbraw/zinc/41/98/78/590419878.db2.gz	URVJQYOZSYOJET-UHFFFAOYSA-N	-1	1	342.367	0.658	20	10		ECCDMM
O=C(C[C@H]1CC(=O)NC1=O)NCc1cccc(Br)c1[O-]	ZINC000935662901	611392651	/nfs/dbraw/zinc/39/26/51/611392651.db2.gz	KTRROSSNLJPYBC-QMMMGPOBSA-N	-1	1	341.161	0.824	20	10		ECCDMM