smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-]	ZINC000583333300	375893999	/nfs/dbraw/zinc/89/39/99/375893999.db2.gz	KWLWKFWWDGMFCT-SECBINFHSA-N	-2	3	337.325	-0.425	20	0		EBADHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)C2)c(F)c1	ZINC000092114066	376032078	/nfs/dbraw/zinc/03/20/78/376032078.db2.gz	FPIAFCZWCBRNLR-MRVPVSSYSA-N	-2	3	337.350	-0.011	20	0		EBADHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@H]1CCCOC1	ZINC000584111488	376177471	/nfs/dbraw/zinc/17/74/71/376177471.db2.gz	GWZDPAHVALFSDZ-GXSJLCMTSA-N	-2	3	345.377	-0.176	20	0		EBADHL
CC(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1[O-]	ZINC000564967126	376639550	/nfs/dbraw/zinc/63/95/50/376639550.db2.gz	MRBGJKSPXJTQML-GFCCVEGCSA-N	-2	3	341.341	-0.081	20	0		EBADHL
O=C([O-])[C@H](O)C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2	ZINC000569942377	377186227	/nfs/dbraw/zinc/18/62/27/377186227.db2.gz	RGPLVSGBHBHVPJ-SECBINFHSA-N	-2	3	348.764	-0.052	20	0		EBADHL
O=C([O-])[C@@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)C[C@H]1c1ccccc1	ZINC000575046379	377307736	/nfs/dbraw/zinc/30/77/36/377307736.db2.gz	NDXJERYDKWQGOG-NWDGAFQWSA-N	-2	3	331.328	-0.135	20	0		EBADHL
COC(=O)c1ncccc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1	ZINC000594691642	377947750	/nfs/dbraw/zinc/94/77/50/377947750.db2.gz	WYORQMPDLYLMPC-LBPRGKRZSA-N	-2	3	330.318	-0.610	20	0		EBADHL
CN(CCN(C)C(=O)c1cc(=O)[n-]cn1)C(=O)c1cc(=O)[n-]cn1	ZINC000626305893	379165377	/nfs/dbraw/zinc/16/53/77/379165377.db2.gz	GAMPIYZRTFTNQZ-UHFFFAOYSA-N	-2	3	332.320	-0.478	20	0		EBADHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000274875131	379719903	/nfs/dbraw/zinc/71/99/03/379719903.db2.gz	BLKLRPLARSOKLQ-SSDOTTSWSA-N	-2	3	339.167	-0.042	20	0		EBADHL
COC(=O)c1csc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274893333	379720794	/nfs/dbraw/zinc/72/07/94/379720794.db2.gz	GKMLLRKHOKLXNM-ZCFIWIBFSA-N	-3	3	337.331	-0.259	20	0		EBADHL
O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275048461	379734736	/nfs/dbraw/zinc/73/47/36/379734736.db2.gz	WTMVZTXKBVCBBY-LURJTMIESA-N	-3	3	329.290	-0.323	20	0		EBADHL
C[C@@](CO)(C[N-]S(=O)(=O)c1cccc2nonc21)CC(=O)[O-]	ZINC000275540046	379762076	/nfs/dbraw/zinc/76/20/76/379762076.db2.gz	CTFASWBXGSUNFD-LBPRGKRZSA-N	-2	3	329.334	-0.026	20	0		EBADHL
O=C(CC[N-]S(=O)(=O)c1cccs1)NCCc1nc(=O)o[n-]1	ZINC000280201518	379974959	/nfs/dbraw/zinc/97/49/59/379974959.db2.gz	VFRVXWACFUAHBV-UHFFFAOYSA-N	-2	3	346.390	-0.548	20	0		EBADHL
C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@@H](C)C(=O)Nc1ncccc1[O-]	ZINC000614824240	379987807	/nfs/dbraw/zinc/98/78/07/379987807.db2.gz	FBYRVTMIBCPAFL-RNFRBKRXSA-N	-2	3	348.319	-0.224	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cn1	ZINC000354610212	380065380	/nfs/dbraw/zinc/06/53/80/380065380.db2.gz	YJAFJWFPQWQCCK-UHFFFAOYSA-N	-2	3	340.365	-0.824	20	0		EBADHL
Cc1nn2cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])cnc2c1Cl	ZINC000547555644	380143387	/nfs/dbraw/zinc/14/33/87/380143387.db2.gz	CCVSYTLPBAHYIP-ZETCQYMHSA-N	-2	3	334.741	-0.585	20	0		EBADHL
CCn1cnc(S(=O)(=O)[N-][C@@H](Cc2cnn(C)c2)C(=O)[O-])c1	ZINC000547574634	380146976	/nfs/dbraw/zinc/14/69/76/380146976.db2.gz	GFZUQWRZCHHEEZ-JTQLQIEISA-N	-2	3	327.366	-0.389	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cn1	ZINC000547780299	380162188	/nfs/dbraw/zinc/16/21/88/380162188.db2.gz	HMOYKUNXZMIARE-SNVBAGLBSA-N	-2	3	339.377	-0.769	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1	ZINC000548197746	380188749	/nfs/dbraw/zinc/18/87/49/380188749.db2.gz	OIOZICDNARFBSV-UHFFFAOYSA-N	-2	3	348.308	-0.909	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-]	ZINC000548227822	380191422	/nfs/dbraw/zinc/19/14/22/380191422.db2.gz	XKBKWDPETDTPSX-MRVPVSSYSA-N	-2	3	337.375	-0.532	20	0		EBADHL
CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c1	ZINC000548241926	380193838	/nfs/dbraw/zinc/19/38/38/380193838.db2.gz	VBAYPBBAQNUXHJ-UHFFFAOYSA-N	-2	3	342.381	-0.306	20	0		EBADHL
Cc1nn2cc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])cnc2c1Cl	ZINC000547609680	380150076	/nfs/dbraw/zinc/15/00/76/380150076.db2.gz	ZDFVEVRGJVZTII-ZETCQYMHSA-N	-2	3	334.741	-0.585	20	0		EBADHL
O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1	ZINC000564326520	380152138	/nfs/dbraw/zinc/15/21/38/380152138.db2.gz	IWPOJMNECRELJE-YFKPBYRVSA-N	-2	3	326.377	-0.693	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)[O-]	ZINC000548554678	380215073	/nfs/dbraw/zinc/21/50/73/380215073.db2.gz	KTJHOVKBQZCBPZ-JTQLQIEISA-N	-2	3	335.309	-0.010	20	0		EBADHL
C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000564920210	380387013	/nfs/dbraw/zinc/38/70/13/380387013.db2.gz	JNESONDHFWSNOM-YFKPBYRVSA-N	-2	3	328.393	-0.447	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000565965760	380442250	/nfs/dbraw/zinc/44/22/50/380442250.db2.gz	VLZHJIXNNVOETJ-QMMMGPOBSA-N	-2	3	333.322	-0.940	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000565965760	380442254	/nfs/dbraw/zinc/44/22/54/380442254.db2.gz	VLZHJIXNNVOETJ-QMMMGPOBSA-N	-2	3	333.322	-0.940	20	0		EBADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCCOC1CCOCC1	ZINC000565419503	380419713	/nfs/dbraw/zinc/41/97/13/380419713.db2.gz	RSWWRHMRHVLXPN-UHFFFAOYSA-N	-2	3	333.366	-0.028	20	0		EBADHL
COCCNC(=O)C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F	ZINC000568637978	380610317	/nfs/dbraw/zinc/61/03/17/380610317.db2.gz	IMATWICCITYRHD-UHFFFAOYSA-N	-2	3	348.352	-0.127	20	0		EBADHL
CC(C)(NC(=O)C[N-]S(=O)(=O)c1ccccc1F)c1nnn[n-]1	ZINC000573565931	380677663	/nfs/dbraw/zinc/67/76/63/380677663.db2.gz	FYWACFUSYJORLM-UHFFFAOYSA-N	-2	3	342.356	-0.331	20	0		EBADHL
CC(C)(NC(=O)C[N-]S(=O)(=O)c1ccccc1F)c1nn[n-]n1	ZINC000573565931	380677671	/nfs/dbraw/zinc/67/76/71/380677671.db2.gz	FYWACFUSYJORLM-UHFFFAOYSA-N	-2	3	342.356	-0.331	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000574162753	380703164	/nfs/dbraw/zinc/70/31/64/380703164.db2.gz	QKLCJFUSFSBDNV-RXMQYKEDSA-N	-3	3	337.335	-0.692	20	0		EBADHL
O=C([O-])c1cn(CC[N-]S(=O)(=O)c2cn3c(n2)CCCC3)nn1	ZINC000375407381	380845422	/nfs/dbraw/zinc/84/54/22/380845422.db2.gz	YHQKDROYHKORIP-UHFFFAOYSA-N	-2	3	340.365	-0.512	20	0		EBADHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@@H](O)Cc1ccccc1	ZINC000581646748	381091996	/nfs/dbraw/zinc/09/19/96/381091996.db2.gz	WVIJTALJUSAODW-CMPLNLGQSA-N	-2	3	325.346	-0.255	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)C(=O)[O-]	ZINC000584759556	381208330	/nfs/dbraw/zinc/20/83/30/381208330.db2.gz	VFAKOWSXCJDJKF-JTQLQIEISA-N	-2	3	335.309	-0.010	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)ccc1[O-]	ZINC000611497805	381670310	/nfs/dbraw/zinc/67/03/10/381670310.db2.gz	RQJKENKEZTZTSH-UHFFFAOYSA-N	-2	3	340.317	-0.198	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1	ZINC000290107540	381741921	/nfs/dbraw/zinc/74/19/21/381741921.db2.gz	JGYHCBDKLLAICG-UHFFFAOYSA-N	-2	3	345.308	-0.190	20	0		EBADHL
CO[C@@H](CS(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1ccc(F)cc1	ZINC000629285411	382102888	/nfs/dbraw/zinc/10/28/88/382102888.db2.gz	TYWKKQIDGSDHOD-NSHDSACASA-N	-2	3	348.352	-0.367	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]c2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)cn1	ZINC000354199326	382216624	/nfs/dbraw/zinc/21/66/24/382216624.db2.gz	FAHOLMCRRQMIMW-GFCCVEGCSA-N	-2	3	349.372	-0.029	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1F	ZINC000261682296	154197677	/nfs/dbraw/zinc/19/76/77/154197677.db2.gz	LWMSOIFVFMHSEG-UHFFFAOYSA-N	-2	3	340.354	-0.050	20	0		EBADHL
Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCCCC(=O)[O-])cnc21	ZINC000261698962	154197768	/nfs/dbraw/zinc/19/77/68/154197768.db2.gz	NVRPYKXACBXLHA-UHFFFAOYSA-N	-2	3	342.333	-0.823	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000261934424	154206412	/nfs/dbraw/zinc/20/64/12/154206412.db2.gz	ZHTBDWFVQIXTEF-SCZZXKLOSA-N	-2	3	345.377	-0.109	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000262080366	154211645	/nfs/dbraw/zinc/21/16/45/154211645.db2.gz	AVPAVKAXVTYYGF-XCBNKYQSSA-N	-2	3	345.377	-0.062	20	0		EBADHL
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-]	ZINC000262432924	154232116	/nfs/dbraw/zinc/23/21/16/154232116.db2.gz	FRUSJAIBIPOUHH-JTQLQIEISA-N	-2	3	336.391	-0.127	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000262536582	154236893	/nfs/dbraw/zinc/23/68/93/154236893.db2.gz	UKKTZSSNQLBKIF-BDAKNGLRSA-N	-2	3	348.402	-0.273	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H](C(=O)[O-])C2)c1	ZINC000262683772	154243392	/nfs/dbraw/zinc/24/33/92/154243392.db2.gz	UIEDJOWMNYHSDQ-VIFPVBQESA-N	-2	3	330.366	-0.978	20	0		EBADHL
C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000263144767	154254191	/nfs/dbraw/zinc/25/41/91/154254191.db2.gz	DWNRWRXWQWYMER-NXEZZACHSA-N	-2	3	344.393	-0.590	20	0		EBADHL
O=C([O-])C[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000263263568	154256322	/nfs/dbraw/zinc/25/63/22/154256322.db2.gz	GUFLIOINSPDYDO-SECBINFHSA-N	-2	3	348.402	-0.272	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CCO)C(=O)[O-]	ZINC000274969105	154631624	/nfs/dbraw/zinc/63/16/24/154631624.db2.gz	WEVZVHHLBSXFGO-SECBINFHSA-N	-2	3	335.309	-0.274	20	0		EBADHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-]	ZINC000296918602	155079709	/nfs/dbraw/zinc/07/97/09/155079709.db2.gz	KOKDVJZTRVHZMW-FBCQKBJTSA-N	-2	3	335.725	-0.012	20	0		EBADHL
CCOCCS(=O)(=O)[N-]CC(=O)N=c1nc(COC)[n-]s1	ZINC000345785177	156361845	/nfs/dbraw/zinc/36/18/45/156361845.db2.gz	XUAYXRAQURISJZ-UHFFFAOYSA-N	-2	3	338.411	-0.999	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]2C(=O)[O-])cn1C	ZINC000346356808	156399520	/nfs/dbraw/zinc/39/95/20/156399520.db2.gz	WDPYJCVAGMHQFK-SECBINFHSA-N	-2	3	330.366	-0.918	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2ncccc2[O-])cn1C	ZINC000357120301	157121096	/nfs/dbraw/zinc/12/10/96/157121096.db2.gz	VVABGKNFHVQZET-UHFFFAOYSA-N	-2	3	325.350	-0.254	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2ccncc2[O-])cn1C	ZINC000358362119	157236069	/nfs/dbraw/zinc/23/60/69/157236069.db2.gz	XBYXXXIRHBDJGS-UHFFFAOYSA-N	-2	3	325.350	-0.832	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cn1C	ZINC000653316578	419189440	/nfs/dbraw/zinc/18/94/40/419189440.db2.gz	RFOPNZDLAVGYCK-PSASIEDQSA-N	-2	3	344.393	-0.529	20	0		EBADHL
O=C([O-])[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CCO1	ZINC000647727984	419243888	/nfs/dbraw/zinc/24/38/88/419243888.db2.gz	OUQNIECMTFZZPW-SNVBAGLBSA-N	-2	3	346.336	-0.584	20	0		EBADHL
C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])cn21	ZINC000515807624	419985639	/nfs/dbraw/zinc/98/56/39/419985639.db2.gz	CTLPDMVUKZABIM-VIFPVBQESA-N	-2	3	344.393	-0.350	20	0		EBADHL
O=C([O-])[C@@]1(NC(=O)C[N-]S(=O)(=O)c2ccccc2F)CCOC1	ZINC000663132553	421126005	/nfs/dbraw/zinc/12/60/05/421126005.db2.gz	LCRBYQUYARHGHL-CYBMUJFWSA-N	-2	3	346.336	-0.536	20	0		EBADHL
C[C@@H](CC(=O)[O-])NC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000427744150	265109838	/nfs/dbraw/zinc/10/98/38/265109838.db2.gz	WXVILUZBWQFYEG-YFKPBYRVSA-N	-2	3	334.126	-0.309	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)o1	ZINC000440362352	265286307	/nfs/dbraw/zinc/28/63/07/265286307.db2.gz	FCQPDYQMXQSURY-UHFFFAOYSA-N	-2	3	328.306	-0.050	20	0		EBADHL
COCCOCCS(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1	ZINC000443409755	265349342	/nfs/dbraw/zinc/34/93/42/265349342.db2.gz	LOKGYEZWXPBSGN-UHFFFAOYSA-N	-2	3	343.365	-0.227	20	0		EBADHL
C[C@@]1(c2ccc(C(=O)NCCc3nc(=O)o[n-]3)cc2)NC(=O)[N-]C1=O	ZINC000447638457	265376005	/nfs/dbraw/zinc/37/60/05/265376005.db2.gz	ZTGJUTGMSHDVHB-HNNXBMFYSA-N	-2	3	345.315	-0.610	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000738225441	582824962	/nfs/dbraw/zinc/82/49/62/582824962.db2.gz	ZIDNADJPCBHFEJ-CBAPKCEASA-N	-2	3	334.325	-0.946	20	0		EBADHL
C[C@]1(c2ccc(CNC(=O)c3cc(=O)[nH][n-]3)cc2)NC(=O)[N-]C1=O	ZINC000732282036	582846914	/nfs/dbraw/zinc/84/69/14/582846914.db2.gz	HWNMLBFUUXPUCJ-OAHLLOKOSA-N	-2	3	329.316	-0.767	20	0		EBADHL
CN(C(=O)COC(=O)CN1CC(=O)[N-]C1=O)c1ccccc1C(=O)[O-]	ZINC000737321904	583005379	/nfs/dbraw/zinc/00/53/79/583005379.db2.gz	BJSCGESUWSIUIN-UHFFFAOYSA-N	-2	3	349.299	-0.557	20	0		EBADHL
O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1sccc1-c1nnn[n-]1	ZINC000738139094	583042905	/nfs/dbraw/zinc/04/29/05/583042905.db2.gz	KQNDKVYOWKHYHR-LURJTMIESA-N	-2	3	329.363	-0.223	20	0		EBADHL
O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1sccc1-c1nn[n-]n1	ZINC000738139094	583042907	/nfs/dbraw/zinc/04/29/07/583042907.db2.gz	KQNDKVYOWKHYHR-LURJTMIESA-N	-2	3	329.363	-0.223	20	0		EBADHL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000760410744	583228666	/nfs/dbraw/zinc/22/86/66/583228666.db2.gz	AILCIAFFUIPQNP-ZCFIWIBFSA-N	-2	3	336.270	-0.794	20	0		EBADHL
C[C@@H](CC(=O)NCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl	ZINC000769475678	583324135	/nfs/dbraw/zinc/32/41/35/583324135.db2.gz	YVROIYJGLADDPK-ZETCQYMHSA-N	-2	3	335.769	-0.007	20	0		EBADHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-]	ZINC000776444718	583404449	/nfs/dbraw/zinc/40/44/49/583404449.db2.gz	NUFLYCSRSMNUPO-SCSAIBSYSA-N	-2	3	342.160	-0.005	20	0		EBADHL
O=C([O-])[C@@H]1CC(=O)N(CC[N-]S(=O)(=O)c2cccnc2Cl)C1	ZINC000776635049	583407785	/nfs/dbraw/zinc/40/77/85/583407785.db2.gz	HZZCUHXKWYHRBJ-MRVPVSSYSA-N	-2	3	347.780	-0.054	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)C1=Cc2ccccc2OC1	ZINC000788742874	583532835	/nfs/dbraw/zinc/53/28/35/583532835.db2.gz	DOFUGPPNXNMRAZ-UHFFFAOYSA-N	-2	3	326.330	-0.460	20	0		EBADHL
CS(=O)(=O)CCS(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000794768441	583585552	/nfs/dbraw/zinc/58/55/52/583585552.db2.gz	UYQZJILYEJQPPS-ZCFIWIBFSA-N	-2	3	341.329	-0.396	20	0		EBADHL
CC(=O)NCCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@H](C)C(=O)[O-]	ZINC000819745798	583760611	/nfs/dbraw/zinc/76/06/11/583760611.db2.gz	KNQHBAMGWGYPRC-SECBINFHSA-N	-2	3	338.364	-0.221	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000820542254	583775254	/nfs/dbraw/zinc/77/52/54/583775254.db2.gz	MUGDRXRZHATGTO-SSDOTTSWSA-N	-2	3	330.308	-0.226	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000820542254	583775255	/nfs/dbraw/zinc/77/52/55/583775255.db2.gz	MUGDRXRZHATGTO-SSDOTTSWSA-N	-2	3	330.308	-0.226	20	0		EBADHL
CCN(C)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nnn[n-]1	ZINC000821164383	583786235	/nfs/dbraw/zinc/78/62/35/583786235.db2.gz	DFYRKRFVXKZDLC-UHFFFAOYSA-N	-2	3	340.365	-0.442	20	0		EBADHL
CCN(C)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[n-]n1	ZINC000821164383	583786237	/nfs/dbraw/zinc/78/62/37/583786237.db2.gz	DFYRKRFVXKZDLC-UHFFFAOYSA-N	-2	3	340.365	-0.442	20	0		EBADHL
COc1cccc(S([O-])=CC(=O)OCc2nc(=O)n(C)[n-]2)c1	ZINC000821352644	583789482	/nfs/dbraw/zinc/78/94/82/583789482.db2.gz	LRGOOSMBVBJQQT-JOCHJYFZSA-N	-2	3	325.346	-0.032	20	0		EBADHL
O=C([O-])CNC(=O)C[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC000821534151	583792855	/nfs/dbraw/zinc/79/28/55/583792855.db2.gz	GSEAEWQGJUMGSG-JOCHJYFZSA-N	-2	3	341.267	-0.350	20	0		EBADHL
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1	ZINC000822509854	583811703	/nfs/dbraw/zinc/81/17/03/583811703.db2.gz	FGEQYMAFRZUBOM-LURJTMIESA-N	-2	3	336.337	-0.007	20	0		EBADHL
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1	ZINC000822509854	583811705	/nfs/dbraw/zinc/81/17/05/583811705.db2.gz	FGEQYMAFRZUBOM-LURJTMIESA-N	-2	3	336.337	-0.007	20	0		EBADHL
O=C(COc1ccccc1-c1nnn[n-]1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823049500	583823511	/nfs/dbraw/zinc/82/35/11/583823511.db2.gz	FENDHHJROOCWSA-UHFFFAOYSA-N	-2	3	344.335	-0.182	20	0		EBADHL
O=C(COc1ccccc1-c1nn[n-]n1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823049500	583823512	/nfs/dbraw/zinc/82/35/12/583823512.db2.gz	FENDHHJROOCWSA-UHFFFAOYSA-N	-2	3	344.335	-0.182	20	0		EBADHL
O=C([O-])C[C@@H]1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2)CCO1	ZINC000823387529	583828786	/nfs/dbraw/zinc/82/87/86/583828786.db2.gz	OAXNPPCGJABRSE-GFCCVEGCSA-N	-2	3	347.331	-0.052	20	0		EBADHL
O=C([O-])C[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1	ZINC000823387529	583828787	/nfs/dbraw/zinc/82/87/87/583828787.db2.gz	OAXNPPCGJABRSE-GFCCVEGCSA-N	-2	3	347.331	-0.052	20	0		EBADHL
O=C([O-])[C@@H]1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2)CCO1	ZINC000823387340	583828861	/nfs/dbraw/zinc/82/88/61/583828861.db2.gz	ITFGAJBOJMJQPU-NSHDSACASA-N	-2	3	333.304	-0.443	20	0		EBADHL
O=C([O-])[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1	ZINC000823387340	583828864	/nfs/dbraw/zinc/82/88/64/583828864.db2.gz	ITFGAJBOJMJQPU-NSHDSACASA-N	-2	3	333.304	-0.443	20	0		EBADHL
C[C@H](O)[C@H](NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-]	ZINC000824680256	583848797	/nfs/dbraw/zinc/84/87/97/583848797.db2.gz	ZWRSYRUKRVXFQJ-XVKPBYJWSA-N	-2	3	341.349	-0.880	20	0		EBADHL
C[C@H](O)[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-]	ZINC000824680256	583848799	/nfs/dbraw/zinc/84/87/99/583848799.db2.gz	ZWRSYRUKRVXFQJ-XVKPBYJWSA-N	-2	3	341.349	-0.880	20	0		EBADHL
C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1	ZINC000825236995	583856536	/nfs/dbraw/zinc/85/65/36/583856536.db2.gz	QYURHVWIBCDLCT-BQBZGAKWSA-N	-2	3	325.325	-0.022	20	0		EBADHL
C[C@]1(c2cccc(C(=O)NC3CN(C(=O)[O-])C3)c2)NC(=O)[N-]C1=O	ZINC000825772336	583866705	/nfs/dbraw/zinc/86/67/05/583866705.db2.gz	HSRZWYCZXAGZJL-OAHLLOKOSA-N	-2	3	332.316	-0.167	20	0		EBADHL
C[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)[C@@H]1CNC(=O)[O-]	ZINC000825905404	583870772	/nfs/dbraw/zinc/87/07/72/583870772.db2.gz	LUPOHPKJMJYUBF-OPRDCNLKSA-N	-2	3	326.353	-0.131	20	0		EBADHL
Cc1nnc(C[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)s1	ZINC000826335484	583891789	/nfs/dbraw/zinc/89/17/89/583891789.db2.gz	PCHFZAYSOHYXMW-UHFFFAOYSA-N	-2	3	338.378	-0.100	20	0		EBADHL
Cc1nnc(C[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)s1	ZINC000826335484	583891791	/nfs/dbraw/zinc/89/17/91/583891791.db2.gz	PCHFZAYSOHYXMW-UHFFFAOYSA-N	-2	3	338.378	-0.100	20	0		EBADHL
Cn1cnc(C[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1	ZINC000826364854	583894905	/nfs/dbraw/zinc/89/49/05/583894905.db2.gz	OCFXSWRFWWDTPU-UHFFFAOYSA-N	-2	3	338.328	-0.387	20	0		EBADHL
Cn1cnc(C[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1	ZINC000826364854	583894907	/nfs/dbraw/zinc/89/49/07/583894907.db2.gz	OCFXSWRFWWDTPU-UHFFFAOYSA-N	-2	3	338.328	-0.387	20	0		EBADHL
C[C@@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)NCC(=O)[O-]	ZINC000827811849	583928257	/nfs/dbraw/zinc/92/82/57/583928257.db2.gz	XEBQQVVZYIKSLK-VXNVDRBHSA-N	-2	3	338.382	-0.917	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)n1	ZINC000828700384	583945795	/nfs/dbraw/zinc/94/57/95/583945795.db2.gz	UDCMIFJMTGCIHO-ZETCQYMHSA-N	-2	3	327.297	-0.772	20	0		EBADHL
COC(=O)Cc1nnc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)[n-]1	ZINC000828700384	583945797	/nfs/dbraw/zinc/94/57/97/583945797.db2.gz	UDCMIFJMTGCIHO-ZETCQYMHSA-N	-2	3	327.297	-0.772	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)n[n-]1	ZINC000828700384	583945798	/nfs/dbraw/zinc/94/57/98/583945798.db2.gz	UDCMIFJMTGCIHO-ZETCQYMHSA-N	-2	3	327.297	-0.772	20	0		EBADHL
CCC(CC)(CC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000828779963	583947113	/nfs/dbraw/zinc/94/71/13/583947113.db2.gz	MHJDOWDHJXQSJA-UHFFFAOYSA-N	-2	3	346.409	-0.152	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1	ZINC000829890371	583959598	/nfs/dbraw/zinc/95/95/98/583959598.db2.gz	PKYATIRLWHPKSO-IONNQARKSA-N	-2	3	331.350	-0.072	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1	ZINC000829890371	583959600	/nfs/dbraw/zinc/95/96/00/583959600.db2.gz	PKYATIRLWHPKSO-IONNQARKSA-N	-2	3	331.350	-0.072	20	0		EBADHL
O=C([O-])Nc1ccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c([O-])c1	ZINC000832829167	584002236	/nfs/dbraw/zinc/00/22/36/584002236.db2.gz	ONFAIXQTSSJZSN-VIFPVBQESA-N	-3	3	334.288	-0.142	20	0		EBADHL
O=C([O-])Nc1ccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c([O-])c1	ZINC000832829166	584002248	/nfs/dbraw/zinc/00/22/48/584002248.db2.gz	ONFAIXQTSSJZSN-SECBINFHSA-N	-3	3	334.288	-0.142	20	0		EBADHL
Cc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cn(C)c1=O	ZINC000832900023	584002485	/nfs/dbraw/zinc/00/24/85/584002485.db2.gz	XUPBVOFSFSUZPF-UHFFFAOYSA-N	-2	3	326.334	-0.224	20	0		EBADHL
Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000832982726	584002615	/nfs/dbraw/zinc/00/26/15/584002615.db2.gz	RGXJOQWOYYSURN-UHFFFAOYSA-N	-2	3	326.334	-0.224	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H](C(=O)[O-])C2CC2)cn1C	ZINC000833002890	584002785	/nfs/dbraw/zinc/00/27/85/584002785.db2.gz	IHVMRRYVMCOLQF-LBPRGKRZSA-N	-2	3	344.393	-0.624	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](CC(=O)[O-])C2CC2)cn1C	ZINC000833003288	584002916	/nfs/dbraw/zinc/00/29/16/584002916.db2.gz	OCMVFUUZGWJSTN-JTQLQIEISA-N	-2	3	344.393	-0.624	20	0		EBADHL
NC(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)O1	ZINC000833082639	584004861	/nfs/dbraw/zinc/00/48/61/584004861.db2.gz	PJMNOZSXGHTRLZ-WPRPVWTQSA-N	-2	3	346.336	-0.165	20	0		EBADHL
CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1=O	ZINC000833501326	584011197	/nfs/dbraw/zinc/01/11/97/584011197.db2.gz	VEKLWIUJBUMSNF-MRVPVSSYSA-N	-2	3	330.318	-0.208	20	0		EBADHL
COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000833702710	584014378	/nfs/dbraw/zinc/01/43/78/584014378.db2.gz	YGMGYQLCMMNAEF-BZNIZROVSA-N	-2	3	347.327	-0.117	20	0		EBADHL
O=C([O-])c1coc(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)c1	ZINC000833764674	584016046	/nfs/dbraw/zinc/01/60/46/584016046.db2.gz	LIZSZJCDQPERPL-UHFFFAOYSA-N	-2	3	330.240	-0.065	20	0		EBADHL
Cc1nc2nc(N)nn2c(C)c1CC(=O)[N-]OC[C@H](C)NC(=O)[O-]	ZINC000833915799	584019599	/nfs/dbraw/zinc/01/95/99/584019599.db2.gz	RHYNOQMMMJUGDD-LURJTMIESA-N	-2	3	337.340	-0.430	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)OC2CCN(C(=O)[O-])CC2)c1	ZINC000833958463	584021267	/nfs/dbraw/zinc/02/12/67/584021267.db2.gz	HRBXNZHIVMXVNF-UHFFFAOYSA-N	-2	3	346.365	-0.616	20	0		EBADHL
O=C([O-])N1CCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000834111068	584026271	/nfs/dbraw/zinc/02/62/71/584026271.db2.gz	ZCWMRRJLCUNJKI-UHFFFAOYSA-N	-2	3	347.125	-0.161	20	0		EBADHL
O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1	ZINC000834289482	584030702	/nfs/dbraw/zinc/03/07/02/584030702.db2.gz	MSVWFRVNFIQDPK-DCAQKATOSA-N	-2	3	338.364	-0.035	20	0		EBADHL
C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1	ZINC000844241424	584091993	/nfs/dbraw/zinc/09/19/93/584091993.db2.gz	CNBADHXKTKHGFO-NSHDSACASA-N	-2	3	349.391	-0.557	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F	ZINC000846494975	584126714	/nfs/dbraw/zinc/12/67/14/584126714.db2.gz	YLDHJHAFMYFXED-VIFPVBQESA-N	-2	3	347.368	-0.324	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1	ZINC000846497920	584127360	/nfs/dbraw/zinc/12/73/60/584127360.db2.gz	LTJZQFRXFXSFOF-UHFFFAOYSA-N	-2	3	333.341	-0.005	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F	ZINC000846499311	584127618	/nfs/dbraw/zinc/12/76/18/584127618.db2.gz	NRBZVYRGOIPDGL-UHFFFAOYSA-N	-2	3	347.368	-0.322	20	0		EBADHL
COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c1	ZINC000849221370	584166966	/nfs/dbraw/zinc/16/69/66/584166966.db2.gz	HSJCGMRGRUKWSH-MRVPVSSYSA-N	-2	3	335.309	-0.355	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1	ZINC000851704822	584200869	/nfs/dbraw/zinc/20/08/69/584200869.db2.gz	COLMGSGZGAWHJS-SNVBAGLBSA-N	-2	3	344.393	-0.685	20	0		EBADHL
O=C([O-])NCCC(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000739937698	599784303	/nfs/dbraw/zinc/78/43/03/599784303.db2.gz	IWIWQKVHRKBJHU-UHFFFAOYSA-N	-2	3	349.303	-0.247	20	0		EBADHL
O=C([O-])N1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C(=O)C1	ZINC000740369952	603000256	/nfs/dbraw/zinc/00/02/56/603000256.db2.gz	XAXXXXRANCIHBL-UHFFFAOYSA-N	-2	3	345.319	-0.373	20	0		EBADHL
O=C([O-])N1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C(=O)C1	ZINC000740369952	603000262	/nfs/dbraw/zinc/00/02/62/603000262.db2.gz	XAXXXXRANCIHBL-UHFFFAOYSA-N	-2	3	345.319	-0.373	20	0		EBADHL
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000064940107	649964345	/nfs/dbraw/zinc/96/43/45/649964345.db2.gz	DOCVRTYICCZIMY-UHFFFAOYSA-N	-4	3	331.306	-0.405	20	0		EBADHL
C[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1nc(=O)n(C)[n-]1	ZINC000947231422	653342756	/nfs/dbraw/zinc/34/27/56/653342756.db2.gz	LYTOCGZLKIXCBW-MNOVXSKESA-N	-2	3	346.391	-0.008	20	0		EBADHL
CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000949899691	653998246	/nfs/dbraw/zinc/99/82/46/653998246.db2.gz	BFPTVVINIVPKLY-UHFFFAOYSA-N	-2	3	335.368	-0.808	20	0		EBADHL
O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019478865	728897137	/nfs/dbraw/zinc/89/71/37/728897137.db2.gz	PIQCQVAVBKSLFZ-VIFPVBQESA-N	-2	3	345.363	-0.112	20	0		EBADHL
CN(C(=O)c1cnc[n-]c1=O)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001005560597	726735823	/nfs/dbraw/zinc/73/58/23/726735823.db2.gz	VXPZXYYCGBZTMJ-UHFFFAOYSA-N	-2	3	333.352	-0.258	20	0		EBADHL
O=C(N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1)c1ccc2oc(=O)nc-2[n-]1	ZINC001020922903	729256982	/nfs/dbraw/zinc/25/69/82/729256982.db2.gz	RRBUGMAHYAAFSW-LJGSYFOKSA-N	-2	3	345.319	-0.197	20	0		EBADHL
Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ncccc2[O-])nc1=O	ZINC001032370461	730847245	/nfs/dbraw/zinc/84/72/45/730847245.db2.gz	XYFPGXZLOAJLQZ-UWVGGRQHSA-N	-2	3	330.348	-0.692	20	0		EBADHL
C[C@@H]1CC[C@H](NC(=O)c2cnc[n-]c2=O)CN1Cc1n[nH]c(=O)[n-]1	ZINC001071600515	741175659	/nfs/dbraw/zinc/17/56/59/741175659.db2.gz	LZDPDQHHCPSUJQ-BDAKNGLRSA-N	-2	3	333.352	-0.211	20	0		EBADHL
O=C(Oc1nc2ncnc-2c([S-])[n-]1)[C@H](O)COP(=O)([O-])[O-]	ZINC001226781522	811884472	/nfs/dbraw/zinc/88/44/72/811884472.db2.gz	ICLMKOPZDBKJTA-GSVOUGTGSA-N	-4	3	336.222	-0.983	20	0		EBADHL
O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](Oc3nc4ncnc-4c([S-])[n-]3)CO[C@H]12	ZINC001226780111	811885184	/nfs/dbraw/zinc/88/51/84/811885184.db2.gz	DLMUMGSCSDBAAM-LRSZDJBLSA-N	-2	3	341.305	-0.237	20	0		EBADHL
CO[C@H]1O[C@H](COc2[n-]c(=O)nc3cn[n-]c32)[C@H]2OC(C)(C)O[C@H]21	ZINC001233934210	812370778	/nfs/dbraw/zinc/37/07/78/812370778.db2.gz	IMUFYJGQXISZOS-LTGWCKQJSA-N	-2	3	338.320	-0.084	20	0		EBADHL
NC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259223171	812808488	/nfs/dbraw/zinc/80/84/88/812808488.db2.gz	QSELARUMVQKLQS-SSDOTTSWSA-N	-2	3	340.716	-0.698	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)NCCCc2c[n-][nH]c2=O)ccc1O	ZINC001260401677	812832086	/nfs/dbraw/zinc/83/20/86/812832086.db2.gz	AIMQDGHVQLMWSE-QMMMGPOBSA-N	-2	3	341.345	-0.119	20	0		EBADHL
CCOCCO[N-]C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC001261185528	812876234	/nfs/dbraw/zinc/87/62/34/812876234.db2.gz	NEOLPGKIDPIERQ-UHFFFAOYSA-N	-2	3	325.247	-0.476	20	0		EBADHL
Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)c4ncccc4[O-])[C@@H]3C2)nc1=O	ZINC001084299426	815886666	/nfs/dbraw/zinc/88/66/66/815886666.db2.gz	URJMHVZOMUQWPJ-GHMZBOCLSA-N	-2	3	344.375	-0.445	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)c1cc[nH]c1	ZINC001087256826	816487243	/nfs/dbraw/zinc/48/72/43/816487243.db2.gz	MXYQNWLDQFCTOS-UHFFFAOYSA-N	-2	3	344.335	-0.446	20	0		EBADHL
O=C(CCC(=O)N1CCNC(=O)CC1)NCCCCP(=O)([O-])[O-]	ZINC001180272210	833066860	/nfs/dbraw/zinc/06/68/60/833066860.db2.gz	DTQDKDXXHOCKIM-UHFFFAOYSA-N	-2	3	349.324	-0.811	20	0		EBADHL
NC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC001185566177	833361383	/nfs/dbraw/zinc/36/13/83/833361383.db2.gz	IRKVADPFRZNEIO-UHFFFAOYSA-N	-2	3	346.332	-0.444	20	0		EBADHL
NC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC001185566177	833361385	/nfs/dbraw/zinc/36/13/85/833361385.db2.gz	IRKVADPFRZNEIO-UHFFFAOYSA-N	-2	3	346.332	-0.444	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)NCCP(=O)([O-])[O-])ccc1F	ZINC001186202512	833392164	/nfs/dbraw/zinc/39/21/64/833392164.db2.gz	OWCMOFYFJZBHTH-UHFFFAOYSA-N	-3	3	327.226	-0.020	20	0		EBADHL
COC(=O)C(NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)=C(C)[O-]	ZINC001186207916	833392254	/nfs/dbraw/zinc/39/22/54/833392254.db2.gz	BHYFJKCNPKCBLJ-SNVBAGLBSA-N	-2	3	333.293	-0.067	20	0		EBADHL
O=C(NCCOP(=O)([O-])[O-])c1ccc2c(=O)[nH][n-]c(=O)c2c1	ZINC001154319255	831326653	/nfs/dbraw/zinc/32/66/53/831326653.db2.gz	VFSAGNVVNLTRPE-UHFFFAOYSA-N	-3	3	329.205	-0.120	20	0		EBADHL
O=C(NCCOP(=O)([O-])[O-])c1ccc2c(=O)[n-][nH]c(=O)c2c1	ZINC001154319255	831326657	/nfs/dbraw/zinc/32/66/57/831326657.db2.gz	VFSAGNVVNLTRPE-UHFFFAOYSA-N	-3	3	329.205	-0.120	20	0		EBADHL
COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)Cn1nn[n-]c1=S	ZINC001177735257	832800362	/nfs/dbraw/zinc/80/03/62/832800362.db2.gz	FCRGJZILLMAALM-UHFFFAOYSA-N	-2	3	340.321	-0.498	20	0		EBADHL
CC(CO)(CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195248117	835203602	/nfs/dbraw/zinc/20/36/02/835203602.db2.gz	CEROSOCNFIHJLP-UHFFFAOYSA-N	-2	3	325.289	-0.315	20	0		EBADHL
C[C@H](CNC(=O)c1ncccc1[O-])Nc1ccnc(-c2nn[n-]n2)n1	ZINC001575068050	951629375	/nfs/dbraw/zinc/62/93/75/951629375.db2.gz	WLVGHCIIMCJSJZ-MRVPVSSYSA-N	-2	3	341.335	-0.590	20	0		EBADHL
C[C@@H](CNC(=O)c1ncccc1[O-])Nc1cnc(-c2nnn[n-]2)cn1	ZINC001575068237	951631466	/nfs/dbraw/zinc/63/14/66/951631466.db2.gz	YILJXNWIJCJBPG-QMMMGPOBSA-N	-2	3	341.335	-0.012	20	0		EBADHL
C[C@@H](CNC(=O)c1ncccc1[O-])Nc1cnc(-c2nn[n-]n2)cn1	ZINC001575068237	951631473	/nfs/dbraw/zinc/63/14/73/951631473.db2.gz	YILJXNWIJCJBPG-QMMMGPOBSA-N	-2	3	341.335	-0.012	20	0		EBADHL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCOCCO	ZINC001594896842	954574061	/nfs/dbraw/zinc/57/40/61/954574061.db2.gz	SXIWKJVBULNSHW-DTWKUNHWSA-N	-2	3	328.287	-0.409	20	0		EBADHL
C[C@@H](NC(=O)COCC(=O)[O-])[C@@H](C)C(=O)Nc1ncccc1[O-]	ZINC001589096113	955987506	/nfs/dbraw/zinc/98/75/06/955987506.db2.gz	UPUVLYSAIONFGD-RKDXNWHRSA-N	-2	3	325.321	-0.032	20	0		EBADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1CCCS1(=O)=O	ZINC000134726426	958860211	/nfs/dbraw/zinc/86/02/11/958860211.db2.gz	UJVGWBIELAMKGS-ZCFIWIBFSA-N	-2	3	340.404	-0.303	20	0		EBADHL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1	ZINC001573900920	961423925	/nfs/dbraw/zinc/42/39/25/961423925.db2.gz	JLKUKPYQNNTKJV-GFCCVEGCSA-N	-2	3	347.349	-0.583	20	0		EBADHL
Cc1ccc(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c(=O)n1C	ZINC001571171207	962052221	/nfs/dbraw/zinc/05/22/21/962052221.db2.gz	SAPGTHAYXGTWOQ-UHFFFAOYSA-N	-2	3	326.334	-0.406	20	0		EBADHL
CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001571191955	962268819	/nfs/dbraw/zinc/26/88/19/962268819.db2.gz	XJCIOJZQBUERDX-JGVFFNPUSA-N	-2	3	330.366	-0.391	20	0		EBADHL
C[C@](CO)([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-]	ZINC001571216371	962506472	/nfs/dbraw/zinc/50/64/72/962506472.db2.gz	OXNLBAMDLXFGJQ-LLVKDONJSA-N	-2	3	334.281	-0.626	20	0		EBADHL
C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1	ZINC001592415986	978016242	/nfs/dbraw/zinc/01/62/42/978016242.db2.gz	WRDKSWYPJHEGOT-SNVBAGLBSA-N	-2	3	345.363	-0.117	20	0		EBADHL
C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1	ZINC001588662162	983788710	/nfs/dbraw/zinc/78/87/10/983788710.db2.gz	YBXKGWJTIBCHMW-NSHDSACASA-N	-2	3	347.327	-0.116	20	0		EBADHL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)[O-]	ZINC001596696807	984845137	/nfs/dbraw/zinc/84/51/37/984845137.db2.gz	SLXZTOIAYXEAEC-IONNQARKSA-N	-2	3	347.349	-0.585	20	0		EBADHL
CCS(=O)(=O)CCC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001597209868	987126428	/nfs/dbraw/zinc/12/64/28/987126428.db2.gz	PZHICCBACIWQCW-UHFFFAOYSA-N	-2	3	342.420	-0.056	20	0		EBADHL
CS(C)(=O)=NC(=O)C[N-]S(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC001599778890	992340356	/nfs/dbraw/zinc/34/03/56/992340356.db2.gz	CQOPOBWACLITAV-UHFFFAOYSA-N	-2	3	340.423	-0.197	20	0		EBADHL
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC001598633970	994217444	/nfs/dbraw/zinc/21/74/44/994217444.db2.gz	HHKZDMQQXMLKBQ-ZCFIWIBFSA-N	-2	3	338.288	-0.952	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)NCC(F)(F)F	ZINC001593326394	994876104	/nfs/dbraw/zinc/87/61/04/994876104.db2.gz	TZBMIJVTGYSAII-SCSAIBSYSA-N	-2	3	344.271	-0.547	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@H]1CN(C)CCN1C	ZINC001593347700	994959519	/nfs/dbraw/zinc/95/95/19/994959519.db2.gz	QCPDLWYCTWDJPL-DTWKUNHWSA-N	-2	3	348.450	-0.246	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@@H]1CN(C)CCN1C	ZINC001593347701	994960438	/nfs/dbraw/zinc/96/04/38/994960438.db2.gz	QCPDLWYCTWDJPL-IUCAKERBSA-N	-2	3	348.450	-0.246	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@H]1CN(C)CCN1C	ZINC001593348195	994964278	/nfs/dbraw/zinc/96/42/78/994964278.db2.gz	YQOACXBZZZETEJ-RKDXNWHRSA-N	-2	3	348.450	-0.246	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)[O-]	ZINC001599178223	996894007	/nfs/dbraw/zinc/89/40/07/996894007.db2.gz	LYWCDVWDKDASRE-RXMQYKEDSA-N	-2	3	342.171	-0.440	20	0		EBADHL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCSC1	ZINC001598911654	997380145	/nfs/dbraw/zinc/38/01/45/997380145.db2.gz	IMHURZCAAWOPJL-NSHDSACASA-N	-2	3	349.390	-0.257	20	0		EBADHL
CO[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@H](C(=O)[O-])C1	ZINC001599120794	997734885	/nfs/dbraw/zinc/73/48/85/997734885.db2.gz	QYNONJPBLIOWEF-ONGXEEELSA-N	-2	3	332.320	-0.034	20	0		EBADHL
CO[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@H](C(=O)[O-])C1	ZINC001599120794	997734907	/nfs/dbraw/zinc/73/49/07/997734907.db2.gz	QYNONJPBLIOWEF-ONGXEEELSA-N	-2	3	332.320	-0.034	20	0		EBADHL
C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CS1(=O)=O	ZINC001594327507	999258822	/nfs/dbraw/zinc/25/88/22/999258822.db2.gz	YSGQLRCWEUZYHD-NKWVEPMBSA-N	-2	3	337.379	-0.648	20	0		EBADHL
CN(CCCN(C)C(=O)c1ncccc1[O-])Cc1nc(=O)n(C)[n-]1	ZINC001484738270	1126629109	/nfs/dbraw/zinc/62/91/09/1126629109.db2.gz	HJGZWGNKVRORGA-UHFFFAOYSA-N	-2	3	334.380	-0.197	20	0		EBADHL
CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c(F)c1	ZINC000316594661	545677875	/nfs/dbraw/zinc/67/78/75/545677875.db2.gz	HKGNPFIUVXCDJV-SNVBAGLBSA-N	-2	3	334.325	-0.102	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)[C@@H](C)C(=O)[O-]	ZINC000560480098	376710771	/nfs/dbraw/zinc/71/07/71/376710771.db2.gz	OTOXHILMPHMHMS-HTQZYQBOSA-N	-2	3	336.391	-0.127	20	0		EBADHL
Cc1oc(S(=O)(=O)[N-]CCNS(C)(=O)=O)cc1C(=O)[O-]	ZINC000570512959	377251608	/nfs/dbraw/zinc/25/16/08/377251608.db2.gz	XAPORNAHSDUZRC-UHFFFAOYSA-N	-2	3	326.352	-0.886	20	0		EBADHL
CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000565301043	377464009	/nfs/dbraw/zinc/46/40/09/377464009.db2.gz	KBQPXTSCZNQPGC-ZCFIWIBFSA-N	-2	3	325.368	-0.791	20	0		EBADHL
COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])c1	ZINC000274883380	379720872	/nfs/dbraw/zinc/72/08/72/379720872.db2.gz	DJCPTUJVACDFLB-LURJTMIESA-N	-2	3	336.347	-0.858	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-]	ZINC000275068107	379734640	/nfs/dbraw/zinc/73/46/40/379734640.db2.gz	KTCQPILUWZBYKF-QMMMGPOBSA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-]	ZINC000275137062	379738770	/nfs/dbraw/zinc/73/87/70/379738770.db2.gz	WEVZVHHLBSXFGO-VIFPVBQESA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c(C)o1	ZINC000279470188	379953768	/nfs/dbraw/zinc/95/37/68/379953768.db2.gz	MUQZPLPKMZDQGD-UHFFFAOYSA-N	-2	3	331.306	-0.428	20	0		EBADHL
C[C@@]1(c2cccc(C(=O)NCCOCC(=O)[O-])c2)NC(=O)[N-]C1=O	ZINC000630262710	380023504	/nfs/dbraw/zinc/02/35/04/380023504.db2.gz	PDZMAZHUCNZUOW-HNNXBMFYSA-N	-2	3	335.316	-0.428	20	0		EBADHL
NS(=O)(=O)c1ccc([O-])c(C(=O)NCCCc2cc(=O)[nH][n-]2)c1	ZINC000614930829	380077440	/nfs/dbraw/zinc/07/74/40/380077440.db2.gz	NVSPBGKVZRVBCF-UHFFFAOYSA-N	-2	3	340.361	-0.575	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000548203526	380189095	/nfs/dbraw/zinc/18/90/95/380189095.db2.gz	JBZYHNKGZAZUHD-SECBINFHSA-N	-3	3	349.292	-0.182	20	0		EBADHL
CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1	ZINC000548588990	380217861	/nfs/dbraw/zinc/21/78/61/380217861.db2.gz	YNNJCDKBCYJHLQ-JTQLQIEISA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(N(C)C)nc2)[n-]1	ZINC000358947833	380242233	/nfs/dbraw/zinc/24/22/33/380242233.db2.gz	QUAVLNDZLLBZOE-UHFFFAOYSA-N	-2	3	340.365	-0.218	20	0		EBADHL
CCOc1ccncc1S(=O)(=O)[N-]CCn1cc(C(=O)[O-])nn1	ZINC000566799251	380489581	/nfs/dbraw/zinc/48/95/81/380489581.db2.gz	DEYINZXBBWTGAF-UHFFFAOYSA-N	-2	3	341.349	-0.252	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC(=O)[O-])c(F)c1	ZINC000340453796	380502394	/nfs/dbraw/zinc/50/23/94/380502394.db2.gz	JHXZSFJKHFZFHF-UHFFFAOYSA-N	-3	3	326.327	-0.440	20	0		EBADHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2cnn3c2OCCC3)CCSC1	ZINC000567808432	380544521	/nfs/dbraw/zinc/54/45/21/380544521.db2.gz	QFQTUSBZSNWWHY-LLVKDONJSA-N	-2	3	333.391	-0.096	20	0		EBADHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@@H](O)Cc1ccccc1	ZINC000581646749	381092598	/nfs/dbraw/zinc/09/25/98/381092598.db2.gz	WVIJTALJUSAODW-JQWIXIFHSA-N	-2	3	325.346	-0.255	20	0		EBADHL
Cc1ncsc1[C@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)[O-]	ZINC000583756620	381134620	/nfs/dbraw/zinc/13/46/20/381134620.db2.gz	KLKMRURLPMZACV-SFYZADRCSA-N	-2	3	335.407	-0.027	20	0		EBADHL
Cc1ncsc1[C@@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)[O-]	ZINC000583756619	381135036	/nfs/dbraw/zinc/13/50/36/381135036.db2.gz	KLKMRURLPMZACV-JGVFFNPUSA-N	-2	3	335.407	-0.027	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]C[C@H](Cc2cnn(C)c2)C(=O)[O-])cn1C	ZINC000572218590	381650313	/nfs/dbraw/zinc/65/03/13/381650313.db2.gz	OFYIRDUYOFXUMH-NSHDSACASA-N	-2	3	341.393	-0.316	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1ccncc1[O-]	ZINC000354256448	382224408	/nfs/dbraw/zinc/22/44/08/382224408.db2.gz	RUYAUOBUWPYQSM-UHFFFAOYSA-N	-2	3	326.334	-0.269	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCC(=O)[O-])c(F)c1	ZINC000261755669	154199605	/nfs/dbraw/zinc/19/96/05/154199605.db2.gz	WXAMKZHDMMJQOH-UHFFFAOYSA-N	-3	3	340.354	-0.050	20	0		EBADHL
O=C([O-])[C@@]1(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CCOC1	ZINC000262222503	154218297	/nfs/dbraw/zinc/21/82/97/154218297.db2.gz	UCNDNDVDNWSTEL-MRXNPFEDSA-N	-2	3	347.327	-0.560	20	0		EBADHL
C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)C[C@@H](C(=O)[O-])O1	ZINC000262286263	154221524	/nfs/dbraw/zinc/22/15/24/154221524.db2.gz	ZONHZIVMLKYLQC-BDAKNGLRSA-N	-2	3	348.402	-0.273	20	0		EBADHL
O=C([O-])[C@@H]1COCCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000262527790	154235092	/nfs/dbraw/zinc/23/50/92/154235092.db2.gz	RXRFBRGQBMSADC-LBPRGKRZSA-N	-2	3	347.327	-0.608	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCCCC(=O)[O-]	ZINC000262570329	154237827	/nfs/dbraw/zinc/23/78/27/154237827.db2.gz	CKAGLJQSXJJWPE-QMMMGPOBSA-N	-2	3	333.366	-0.061	20	0		EBADHL
CO[C@@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000262736908	154245508	/nfs/dbraw/zinc/24/55/08/154245508.db2.gz	DJPRSDUQQJNRCE-YUMQZZPRSA-N	-2	3	336.391	-0.369	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H](C(=O)[O-])C(C)C)cn1C	ZINC000262931329	154251618	/nfs/dbraw/zinc/25/16/18/154251618.db2.gz	XPQRNEWKGRQEHO-LBPRGKRZSA-N	-2	3	346.409	-0.378	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])nc1Cl	ZINC000275148520	154641495	/nfs/dbraw/zinc/64/14/95/154641495.db2.gz	YDACGWNXWIKEND-YFKPBYRVSA-N	-3	3	325.730	-0.330	20	0		EBADHL
CNC(=O)c1ccc(=NC(=O)CCc2c(C)nc(C)[n-]c2=O)[n-]n1	ZINC000650815564	419083594	/nfs/dbraw/zinc/08/35/94/419083594.db2.gz	VPNRFSTWJSRKKF-UHFFFAOYSA-N	-2	3	330.348	-0.058	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H](C)C(=O)[O-])cn1C	ZINC000655562302	419417031	/nfs/dbraw/zinc/41/70/31/419417031.db2.gz	WMRDWEJIYIHPBY-MRVPVSSYSA-N	-2	3	332.382	-0.766	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N(CC(=O)[O-])C2CCC2)c1	ZINC000655590697	419448371	/nfs/dbraw/zinc/44/83/71/419448371.db2.gz	NNQAMWCLLNKNJN-UHFFFAOYSA-N	-2	3	330.366	-0.836	20	0		EBADHL
O=C([O-])CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000420594606	419845749	/nfs/dbraw/zinc/84/57/49/419845749.db2.gz	DJHSALRBSJCYNP-UHFFFAOYSA-N	-2	3	349.343	-0.733	20	0		EBADHL
O=C([O-])c1coc(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)c1	ZINC000645960540	420529382	/nfs/dbraw/zinc/52/93/82/420529382.db2.gz	BTVYTSLVQCEFJN-UHFFFAOYSA-N	-2	3	338.363	-0.708	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]c2nc3ncccn3n2)ccc1[O-]	ZINC000436730088	421245653	/nfs/dbraw/zinc/24/56/53/421245653.db2.gz	VDKPMTLYPFULPO-UHFFFAOYSA-N	-2	3	349.328	0.417	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)c(F)c1	ZINC000425208779	265085309	/nfs/dbraw/zinc/08/53/09/265085309.db2.gz	PVMMVLDMQMIEHT-NXEZZACHSA-N	-2	3	338.382	-0.001	20	0		EBADHL
NC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cn1	ZINC000433513717	265191873	/nfs/dbraw/zinc/19/18/73/265191873.db2.gz	UEMNPHCYABTOMP-UHFFFAOYSA-N	-3	3	340.317	-0.427	20	0		EBADHL
C[C@H](CO)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000442823423	265329923	/nfs/dbraw/zinc/32/99/23/265329923.db2.gz	KHAVLGLMGALXFC-SSDOTTSWSA-N	-2	3	326.371	-0.144	20	0		EBADHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c(F)c1	ZINC000685598472	546407762	/nfs/dbraw/zinc/40/77/62/546407762.db2.gz	JWINQXKGPAMRPY-UHFFFAOYSA-N	-2	3	344.324	-0.019	20	0		EBADHL
C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000736540516	582939230	/nfs/dbraw/zinc/93/92/30/582939230.db2.gz	ITYVVCNYKQRENV-ZYHUDNBSSA-N	-2	3	349.391	-0.510	20	0		EBADHL
CCOCCS(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000736625760	582948108	/nfs/dbraw/zinc/94/81/08/582948108.db2.gz	LSZLGTFCLNVQRE-UHFFFAOYSA-N	-2	3	325.350	-0.037	20	0		EBADHL
CCOCCS(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000736625760	582948109	/nfs/dbraw/zinc/94/81/09/582948109.db2.gz	LSZLGTFCLNVQRE-UHFFFAOYSA-N	-2	3	325.350	-0.037	20	0		EBADHL
COC(=O)CN(CC(=O)[O-])CC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1	ZINC000737615614	583022275	/nfs/dbraw/zinc/02/22/75/583022275.db2.gz	ORCVXECGFCUWSD-JTQLQIEISA-N	-2	3	338.364	-0.226	20	0		EBADHL
COc1cc(NC(=O)CN2CC(=O)[N-]C2=O)c(C(=O)[O-])cc1OC	ZINC000737892914	583032910	/nfs/dbraw/zinc/03/29/10/583032910.db2.gz	SQSSRVPDXYKVCG-UHFFFAOYSA-N	-2	3	337.288	-0.108	20	0		EBADHL
C[C@]1(c2ccc(C(=O)OCc3n[nH]c(=O)[n-]3)cc2)NC(=O)[N-]C1=O	ZINC000774960245	583393037	/nfs/dbraw/zinc/39/30/37/583393037.db2.gz	BCBMXIPNGGKUQZ-CQSZACIVSA-N	-2	3	331.288	-0.078	20	0		EBADHL
O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cccc2nonc21	ZINC000776436461	583404040	/nfs/dbraw/zinc/40/40/40/583404040.db2.gz	CXVXWXAMIQRDSM-SECBINFHSA-N	-2	3	337.317	-0.080	20	0		EBADHL
COc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])cnc1Cl	ZINC000776442929	583404438	/nfs/dbraw/zinc/40/44/38/583404438.db2.gz	AQWBYQDVWVPULK-LURJTMIESA-N	-3	3	338.725	-0.050	20	0		EBADHL
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-]	ZINC000776444767	583404545	/nfs/dbraw/zinc/40/45/45/583404545.db2.gz	PHAZUXQYPCBNIM-RXMQYKEDSA-N	-2	3	338.725	-0.755	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000820529777	583774829	/nfs/dbraw/zinc/77/48/29/583774829.db2.gz	RQKXQEHIZBTLOD-SSDOTTSWSA-N	-2	3	330.308	-0.226	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000820529777	583774831	/nfs/dbraw/zinc/77/48/31/583774831.db2.gz	RQKXQEHIZBTLOD-SSDOTTSWSA-N	-2	3	330.308	-0.226	20	0		EBADHL
CN(C(=O)c1cnc([O-])n(C)c1=O)c1cccc(-c2nnn[n-]2)c1	ZINC000821571671	583793362	/nfs/dbraw/zinc/79/33/62/583793362.db2.gz	ABJYOWMQWAUIOH-UHFFFAOYSA-N	-2	3	327.304	-0.057	20	0		EBADHL
CN(C(=O)c1cnc([O-])n(C)c1=O)c1cccc(-c2nn[n-]n2)c1	ZINC000821571671	583793365	/nfs/dbraw/zinc/79/33/65/583793365.db2.gz	ABJYOWMQWAUIOH-UHFFFAOYSA-N	-2	3	327.304	-0.057	20	0		EBADHL
COC(=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821661535	583799510	/nfs/dbraw/zinc/79/95/10/583799510.db2.gz	NGLUPZRTNKEJPW-UHFFFAOYSA-N	-2	3	347.303	-0.014	20	0		EBADHL
COC(=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821661535	583799512	/nfs/dbraw/zinc/79/95/12/583799512.db2.gz	NGLUPZRTNKEJPW-UHFFFAOYSA-N	-2	3	347.303	-0.014	20	0		EBADHL
COCCN(C)S(=O)(=O)[N-]C(=O)c1sccc1-c1nnn[n-]1	ZINC000821688991	583801672	/nfs/dbraw/zinc/80/16/72/583801672.db2.gz	GYQWOHNFPSAWKC-UHFFFAOYSA-N	-2	3	346.394	-0.519	20	0		EBADHL
COCCN(C)S(=O)(=O)[N-]C(=O)c1sccc1-c1nn[n-]n1	ZINC000821688991	583801674	/nfs/dbraw/zinc/80/16/74/583801674.db2.gz	GYQWOHNFPSAWKC-UHFFFAOYSA-N	-2	3	346.394	-0.519	20	0		EBADHL
Cn1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c(=O)[nH]c1=O	ZINC000822669988	583816366	/nfs/dbraw/zinc/81/63/66/583816366.db2.gz	XPYPANFIEYESKH-UHFFFAOYSA-N	-2	3	329.276	-0.376	20	0		EBADHL
O=C(COc1ccc(-c2nnn[n-]2)cc1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823036436	583823230	/nfs/dbraw/zinc/82/32/30/583823230.db2.gz	BYYCXCWLMVYFQF-UHFFFAOYSA-N	-2	3	344.335	-0.182	20	0		EBADHL
O=C(COc1ccc(-c2nn[n-]n2)cc1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823036436	583823231	/nfs/dbraw/zinc/82/32/31/583823231.db2.gz	BYYCXCWLMVYFQF-UHFFFAOYSA-N	-2	3	344.335	-0.182	20	0		EBADHL
O=c1[n-]c(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n[nH]1	ZINC000826502110	583906367	/nfs/dbraw/zinc/90/63/67/583906367.db2.gz	UUQRZVNSYIHQPV-UHFFFAOYSA-N	-2	3	328.340	-0.592	20	0		EBADHL
O=c1[n-]c(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n[nH]1	ZINC000826502110	583906369	/nfs/dbraw/zinc/90/63/69/583906369.db2.gz	UUQRZVNSYIHQPV-UHFFFAOYSA-N	-2	3	328.340	-0.592	20	0		EBADHL
COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000831071651	583975734	/nfs/dbraw/zinc/97/57/34/583975734.db2.gz	FASNARGTEUEHIP-SECBINFHSA-N	-2	3	333.366	-0.166	20	0		EBADHL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1	ZINC000831934284	583993705	/nfs/dbraw/zinc/99/37/05/583993705.db2.gz	HWDXGPGKYJLKAZ-ZCFIWIBFSA-N	-2	3	334.375	-0.036	20	0		EBADHL
Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000832917669	584002533	/nfs/dbraw/zinc/00/25/33/584002533.db2.gz	VLKHRZDAFIWNHX-GFCCVEGCSA-N	-2	3	346.343	-0.132	20	0		EBADHL
C[C@]1(c2cccc(C(=O)OCC(=O)NCC(=O)[O-])c2)NC(=O)[N-]C1=O	ZINC000833574569	584012147	/nfs/dbraw/zinc/01/21/47/584012147.db2.gz	XDNXTVFOMWOFTD-OAHLLOKOSA-N	-2	3	349.299	-0.901	20	0		EBADHL
CN(C(=O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccccc1C(=O)[O-]	ZINC000833684705	584013607	/nfs/dbraw/zinc/01/36/07/584013607.db2.gz	PFNHDRWCVDIJNI-GFCCVEGCSA-N	-2	3	346.343	-0.416	20	0		EBADHL
O=C([O-])NC1(C(=O)NCC[N-]S(=O)(=O)c2cccs2)CC1	ZINC000834150718	584027092	/nfs/dbraw/zinc/02/70/92/584027092.db2.gz	HPLHSFKJPPWZTK-UHFFFAOYSA-N	-2	3	333.391	-0.057	20	0		EBADHL
O=C([O-])N[C@H](C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccccc1	ZINC000834251630	584030195	/nfs/dbraw/zinc/03/01/95/584030195.db2.gz	IKEVQHGMIWTCMP-QWRGUYRKSA-N	-2	3	332.316	-0.242	20	0		EBADHL
O=C([O-])N1CCC2(CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)C2)CC1	ZINC000834288200	584030509	/nfs/dbraw/zinc/03/05/09/584030509.db2.gz	CVAOOHDMKQGSRR-SNVBAGLBSA-N	-2	3	338.364	-0.033	20	0		EBADHL
O=C([O-])N1CCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1	ZINC000834289915	584030709	/nfs/dbraw/zinc/03/07/09/584030709.db2.gz	OZQZEKJDLZZSNE-QWRGUYRKSA-N	-2	3	338.364	-0.035	20	0		EBADHL
O=C([O-])N1CCC2(C[C@H]2C(=O)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)CC1	ZINC000834288507	584030719	/nfs/dbraw/zinc/03/07/19/584030719.db2.gz	GHHPFFYLRVVQFY-VFZGTOFNSA-N	-2	3	336.348	-0.423	20	0		EBADHL
O=C([O-])[C@H](F)C[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1	ZINC000837294144	584047553	/nfs/dbraw/zinc/04/75/53/584047553.db2.gz	JNWBNNGDWLNUFE-LLVKDONJSA-N	-2	3	330.337	-0.147	20	0		EBADHL
C[C@@]1(c2ccc(CNC(=O)COCC(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000844249239	584092022	/nfs/dbraw/zinc/09/20/22/584092022.db2.gz	JJCMAFOYRXISRC-HNNXBMFYSA-N	-2	3	335.316	-0.541	20	0		EBADHL
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000844787788	584097042	/nfs/dbraw/zinc/09/70/42/584097042.db2.gz	ZVBVEJZYVQHFCI-JLLWLGSASA-N	-2	3	344.389	-0.431	20	0		EBADHL
CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCOC1	ZINC000851017948	584191222	/nfs/dbraw/zinc/19/12/22/584191222.db2.gz	ZMNDEAXNZIWUOT-PELKAZGASA-N	-2	3	340.361	-0.186	20	0		EBADHL
O=C([O-])C1(CNC(=O)C(=O)NCc2n[n-]c(C(F)(F)F)n2)CCC1	ZINC000851681930	584197769	/nfs/dbraw/zinc/19/77/69/584197769.db2.gz	QQWLEKRTKMFMLI-UHFFFAOYSA-N	-2	3	349.269	-0.189	20	0		EBADHL
O=C([O-])C1(CNC(=O)C(=O)NCc2nnc(C(F)(F)F)[n-]2)CCC1	ZINC000851681930	584197773	/nfs/dbraw/zinc/19/77/73/584197773.db2.gz	QQWLEKRTKMFMLI-UHFFFAOYSA-N	-2	3	349.269	-0.189	20	0		EBADHL
O=C([O-])C1(CNC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCC1	ZINC000851681930	584197775	/nfs/dbraw/zinc/19/77/75/584197775.db2.gz	QQWLEKRTKMFMLI-UHFFFAOYSA-N	-2	3	349.269	-0.189	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)COc1ccccc1-c1nnn[n-]1	ZINC000737013786	598740149	/nfs/dbraw/zinc/74/01/49/598740149.db2.gz	JHULNGPSVIBNSN-UHFFFAOYSA-N	-2	3	341.349	-0.662	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[n-]n1	ZINC000737013786	598740150	/nfs/dbraw/zinc/74/01/50/598740150.db2.gz	JHULNGPSVIBNSN-UHFFFAOYSA-N	-2	3	341.349	-0.662	20	0		EBADHL
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1cccs1	ZINC000740376171	603157503	/nfs/dbraw/zinc/15/75/03/603157503.db2.gz	HUFFJSPZXRNFHE-JGVFFNPUSA-N	-2	3	342.329	-0.339	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2cnc[n-]c2=O)c1[O-]	ZINC000949430219	653892494	/nfs/dbraw/zinc/89/24/94/653892494.db2.gz	JUFCPAAGJUDCCD-MRVPVSSYSA-N	-2	3	332.320	-0.436	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000951183989	654411843	/nfs/dbraw/zinc/41/18/43/654411843.db2.gz	KFZRERTWBLBZNJ-SECBINFHSA-N	-2	3	346.347	-0.046	20	0		EBADHL
C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnc[n-]c1=O	ZINC000966892463	724777196	/nfs/dbraw/zinc/77/71/96/724777196.db2.gz	NAMMEEABBRXXRM-WPRPVWTQSA-N	-2	3	333.352	-0.354	20	0		EBADHL
O=C(N[C@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccccc1[O-]	ZINC000973901514	725819784	/nfs/dbraw/zinc/81/97/84/725819784.db2.gz	XBQKVGSSSHRDMZ-OCAPTIKFSA-N	-2	3	345.315	-0.321	20	0		EBADHL
C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1Cc1nc(=O)n(C)[n-]1	ZINC000993250136	725865590	/nfs/dbraw/zinc/86/55/90/725865590.db2.gz	PNORCOISNLLYJK-QWRGUYRKSA-N	-2	3	346.391	-0.008	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC001012960293	727711729	/nfs/dbraw/zinc/71/17/29/727711729.db2.gz	FZZILAMOXCTREW-VXNVDRBHSA-N	-2	3	346.347	-0.048	20	0		EBADHL
O=C(N[C@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2)c1cnc[n-]c1=O	ZINC001016682880	728491977	/nfs/dbraw/zinc/49/19/77/728491977.db2.gz	QOXBHFJCVGMREK-JTQLQIEISA-N	-2	3	345.363	-0.210	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-]	ZINC001023313976	729662140	/nfs/dbraw/zinc/66/21/40/729662140.db2.gz	FBFFGAXLECMVKJ-SNVBAGLBSA-N	-2	3	349.395	-0.512	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-]	ZINC001023313975	729662220	/nfs/dbraw/zinc/66/22/20/729662220.db2.gz	FBFFGAXLECMVKJ-JTQLQIEISA-N	-2	3	349.395	-0.512	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CCC[C@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)c1[O-]	ZINC001027371105	730210261	/nfs/dbraw/zinc/21/02/61/730210261.db2.gz	VZRNUDPDVLXPBM-JTQLQIEISA-N	-2	3	349.395	-0.418	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001028756757	730352373	/nfs/dbraw/zinc/35/23/73/730352373.db2.gz	NMIBRPKFGAFYHB-SECBINFHSA-N	-2	3	333.352	-0.434	20	0		EBADHL
Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2nc(=O)n(C)[n-]2)c1[O-]	ZINC001029273121	730395940	/nfs/dbraw/zinc/39/59/40/730395940.db2.gz	QLFKXNDCDKDKLI-AOOOYVTPSA-N	-2	3	347.379	-0.665	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001029352646	730400848	/nfs/dbraw/zinc/40/08/48/730400848.db2.gz	YGRFCFZSQZQIRW-DTORHVGOSA-N	-2	3	331.336	-0.505	20	0		EBADHL
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033807689	731075290	/nfs/dbraw/zinc/07/52/90/731075290.db2.gz	WWWFLWZBFOSHQI-SNVBAGLBSA-N	-2	3	349.395	-0.418	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)c1[O-]	ZINC001052311246	735586702	/nfs/dbraw/zinc/58/67/02/735586702.db2.gz	HUTILKIWLSKCQI-JTQLQIEISA-N	-2	3	349.395	-0.370	20	0		EBADHL
O=C(NCCN(CCO)C(=O)c1ncccc1[O-])c1ncccc1[O-]	ZINC001057410945	737231334	/nfs/dbraw/zinc/23/13/34/737231334.db2.gz	YMAHRVZFYSIPHT-UHFFFAOYSA-N	-2	3	346.343	-0.248	20	0		EBADHL
O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1cnc[n-]c1=O	ZINC001073654151	741697156	/nfs/dbraw/zinc/69/71/56/741697156.db2.gz	AFSRNKDGEVWUSJ-SECBINFHSA-N	-2	3	349.351	-0.973	20	0		EBADHL
O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1cnc[n-]c1=O	ZINC000978308646	804785508	/nfs/dbraw/zinc/78/55/08/804785508.db2.gz	JNPOOALIMGELFG-SLGCYQGISA-N	-2	3	331.336	-0.886	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N1CC(NC(=O)c2ncccc2[O-])C1	ZINC000990973916	809021108	/nfs/dbraw/zinc/02/11/08/809021108.db2.gz	DEOPEDVWBCXPSJ-UHFFFAOYSA-N	-2	3	329.316	-0.154	20	0		EBADHL
O=C(N[C@@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cnc[n-]c1=O	ZINC000991271415	809220084	/nfs/dbraw/zinc/22/00/84/809220084.db2.gz	PLSBHGOKLOMWRN-ZUZCIYMTSA-N	-2	3	345.363	-0.067	20	0		EBADHL
Cc1nc(C)c(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c(=O)[n-]1	ZINC001016241939	810712404	/nfs/dbraw/zinc/71/24/04/810712404.db2.gz	FVFOFYKNRMTWHJ-SNVBAGLBSA-N	-2	3	347.379	-0.444	20	0		EBADHL
COC(=O)C(NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)=C(C)[O-]	ZINC001260403111	812833437	/nfs/dbraw/zinc/83/34/37/812833437.db2.gz	DSYLIWOCBHXEOC-JTQLQIEISA-N	-2	3	331.302	-0.501	20	0		EBADHL
Cc1[nH]nc(C(=O)N2C[C@H]3CCN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)c1[O-]	ZINC001084284629	815880324	/nfs/dbraw/zinc/88/03/24/815880324.db2.gz	JDFBEGQQLOPBMB-NXEZZACHSA-N	-2	3	347.379	-0.808	20	0		EBADHL
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cnc[n-]c1=O	ZINC001095593439	818654250	/nfs/dbraw/zinc/65/42/50/818654250.db2.gz	VXFLTFYWQLZVRZ-JEZHCXPESA-N	-2	3	331.336	-0.459	20	0		EBADHL
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccc2c1[N-]C(=O)C2=O	ZINC001152461271	831165724	/nfs/dbraw/zinc/16/57/24/831165724.db2.gz	XGEUUZRTUWVXND-VIFPVBQESA-N	-2	3	334.284	-0.042	20	0		EBADHL
CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1=O	ZINC001320954721	838868292	/nfs/dbraw/zinc/86/82/92/838868292.db2.gz	YETCBFKROCSROH-LBPRGKRZSA-N	-2	3	344.349	-0.447	20	0		EBADHL
O=C([O-])Cc1noc(Cn2cc(Br)c(=O)[n-]c2=O)n1	ZINC001611519645	971095115	/nfs/dbraw/zinc/09/51/15/971095115.db2.gz	QMJIHDLPNXNVDT-UHFFFAOYSA-N	-2	3	331.082	-0.230	20	0		EBADHL
CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)[C@@H](OC)C(=O)[O-]	ZINC001591280416	951127565	/nfs/dbraw/zinc/12/75/65/951127565.db2.gz	RKTDDCHUBVUPMC-OIBJUYFYSA-N	-2	3	326.309	-0.256	20	0		EBADHL
CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@@H](OC)C(=O)[O-]	ZINC001591280416	951127572	/nfs/dbraw/zinc/12/75/72/951127572.db2.gz	RKTDDCHUBVUPMC-OIBJUYFYSA-N	-2	3	326.309	-0.256	20	0		EBADHL
O=C([O-])CN1CCC[C@H](C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)C1=O	ZINC001595081572	951685599	/nfs/dbraw/zinc/68/55/99/951685599.db2.gz	BNITYTVGZJDQBS-LLVKDONJSA-N	-2	3	348.359	-0.001	20	0		EBADHL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1ncn[nH]1	ZINC001594888364	954484929	/nfs/dbraw/zinc/48/49/29/954484929.db2.gz	CCOVJRZSPDPWOQ-HZGVNTEJSA-N	-2	3	349.269	-0.530	20	0		EBADHL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCn1cnnn1	ZINC001594894840	954558316	/nfs/dbraw/zinc/55/83/16/954558316.db2.gz	AFZFHIWQOKQOGU-SFYZADRCSA-N	-2	3	336.274	-0.731	20	0		EBADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCCS1(=O)=O	ZINC000134726402	958860856	/nfs/dbraw/zinc/86/08/56/958860856.db2.gz	UJVGWBIELAMKGS-LURJTMIESA-N	-2	3	340.404	-0.303	20	0		EBADHL
Cc1nn2cccnc2c1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	ZINC001594490172	959690544	/nfs/dbraw/zinc/69/05/44/959690544.db2.gz	ZBCPNOXTYQGWCJ-UHFFFAOYSA-N	-2	3	340.361	-0.050	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC001594498821	959771253	/nfs/dbraw/zinc/77/12/53/959771253.db2.gz	LBBKZBWISDJQHM-ZETCQYMHSA-N	-2	3	333.366	-0.251	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)[C@H]3CC(C(=O)[O-])=NO3)C2)n1	ZINC001594269055	959780635	/nfs/dbraw/zinc/78/06/35/959780635.db2.gz	HCGSAAGZXHIXKN-PSASIEDQSA-N	-2	3	335.320	-0.585	20	0		EBADHL
O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H](O)CN1CCCC1=O	ZINC001571200947	962362716	/nfs/dbraw/zinc/36/27/16/962362716.db2.gz	PWXQIQGWTRDPSP-MRVPVSSYSA-N	-2	3	332.334	-0.761	20	0		EBADHL
O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H](O)CN1CCCC1=O	ZINC001571200948	962363386	/nfs/dbraw/zinc/36/33/86/962363386.db2.gz	PWXQIQGWTRDPSP-QMMMGPOBSA-N	-2	3	332.334	-0.761	20	0		EBADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]CCC(=O)N1CCOCC1	ZINC000316977759	964083417	/nfs/dbraw/zinc/08/34/17/964083417.db2.gz	CKWFWOWUHITZEX-UHFFFAOYSA-N	-2	3	349.390	-0.632	20	0		EBADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]CC(=O)NCC(F)(F)F	ZINC000393654300	972622032	/nfs/dbraw/zinc/62/20/32/972622032.db2.gz	JRJWEJUHRYTBME-UHFFFAOYSA-N	-2	3	347.296	-0.202	20	0		EBADHL
COC(=O)c1ccoc1S(=O)(=O)[N-]C1CCN(CC(=O)[O-])CC1	ZINC001604403009	973143910	/nfs/dbraw/zinc/14/39/10/973143910.db2.gz	AKSVEDRNODTRNP-UHFFFAOYSA-N	-2	3	346.361	-0.107	20	0		EBADHL
C[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])S(C)(=O)=O	ZINC001592721363	979220211	/nfs/dbraw/zinc/22/02/11/979220211.db2.gz	CLMNJWZPRIJSPA-YFKPBYRVSA-N	-2	3	328.393	-0.447	20	0		EBADHL
CCON(CC)C(=O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001596963656	986162036	/nfs/dbraw/zinc/16/20/36/986162036.db2.gz	NZJSPIHQUGHKAP-UHFFFAOYSA-N	-2	3	337.379	-0.080	20	0		EBADHL
CCc1cc(=O)[n-]c(CNC2(C(=O)[O-])CCS(=O)(=O)CC2)n1	ZINC001597486639	987988915	/nfs/dbraw/zinc/98/89/15/987988915.db2.gz	AGZCIOGZKMXVAF-UHFFFAOYSA-N	-2	3	329.378	-0.134	20	0		EBADHL
CC(C)(CS(C)(=O)=O)[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001590811932	990641206	/nfs/dbraw/zinc/64/12/06/990641206.db2.gz	BKYQNWFQIDMDGZ-UHFFFAOYSA-N	-2	3	342.420	-0.057	20	0		EBADHL
CO[C@]1(C(=O)[O-])CCN(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1	ZINC001599074500	996833640	/nfs/dbraw/zinc/83/36/40/996833640.db2.gz	RNIONQULJXTJCW-CYBMUJFWSA-N	-2	3	338.324	-0.596	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@](C)(CO)C(=O)[O-])c(F)c1	ZINC001598987645	998708783	/nfs/dbraw/zinc/70/87/83/998708783.db2.gz	CVGCWTZYZKLSEW-GFCCVEGCSA-N	-2	3	335.309	-0.274	20	0		EBADHL
CO[C@H](CS(=O)(=O)[N-]c1n[n-]c(CC(=O)[O-])n1)[C@@H]1CCOC1	ZINC001599060586	999262402	/nfs/dbraw/zinc/26/24/02/999262402.db2.gz	VHHKBAHILZAAFQ-HTQZYQBOSA-N	-3	3	334.354	-0.775	20	0		EBADHL
C[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCN1CCC(=O)[O-]	ZINC001594464647	999680071	/nfs/dbraw/zinc/68/00/71/999680071.db2.gz	BXWDZNGEYKTVPS-JTQLQIEISA-N	-2	3	341.368	-0.523	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)c1[O-]	ZINC001092547881	1128252699	/nfs/dbraw/zinc/25/26/99/1128252699.db2.gz	BTELMXFJEWGWLK-PSASIEDQSA-N	-2	3	349.395	-0.657	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCCc2c(=O)[n-]cnc21	ZINC001361488288	1131413598	/nfs/dbraw/zinc/41/35/98/1131413598.db2.gz	VBWXSGOVHMFWSK-UHFFFAOYSA-N	-2	3	327.304	-0.454	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)[C@H](C)C(=O)[O-]	ZINC000560480101	376709702	/nfs/dbraw/zinc/70/97/02/376709702.db2.gz	OTOXHILMPHMHMS-YUMQZZPRSA-N	-2	3	336.391	-0.127	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-]	ZINC000561852244	376883777	/nfs/dbraw/zinc/88/37/77/376883777.db2.gz	YEVHRAZJPVEYNR-SECBINFHSA-N	-2	3	335.309	-0.010	20	0		EBADHL
NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-]	ZINC000570568429	377257165	/nfs/dbraw/zinc/25/71/65/377257165.db2.gz	OGMNVBSEOGCKQG-LURJTMIESA-N	-2	3	341.267	-0.293	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])c1	ZINC000274899522	379722502	/nfs/dbraw/zinc/72/25/02/379722502.db2.gz	HWDHCECHFZFZQG-QMMMGPOBSA-N	-2	3	348.308	-0.781	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])oc1C	ZINC000275051897	379734576	/nfs/dbraw/zinc/73/45/76/379734576.db2.gz	IGKVNOIZSCPETO-QMMMGPOBSA-N	-2	3	348.333	-0.628	20	0		EBADHL
O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000275278308	379749331	/nfs/dbraw/zinc/74/93/31/379749331.db2.gz	NXWXHZVMXPXAMA-VIFPVBQESA-N	-2	3	332.309	-0.566	20	0		EBADHL
COc1ccc(Cl)cc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-]	ZINC000278164881	379915810	/nfs/dbraw/zinc/91/58/10/379915810.db2.gz	CSVLYLDQDWGKDX-UHFFFAOYSA-N	-2	3	336.753	-0.172	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000564199081	379959920	/nfs/dbraw/zinc/95/99/20/379959920.db2.gz	HNTJYFIMWUBUDR-MRVPVSSYSA-N	-3	3	349.292	-0.182	20	0		EBADHL
CCn1cnc(S(=O)(=O)[N-]C[C@H](Cc2cnn(C)c2)C(=O)[O-])c1	ZINC000547577517	380147858	/nfs/dbraw/zinc/14/78/58/380147858.db2.gz	KWCRUJCQWJBFTJ-NSHDSACASA-N	-2	3	341.393	-0.142	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c1	ZINC000548195967	380188015	/nfs/dbraw/zinc/18/80/15/380188015.db2.gz	HBCSMPPONYHGIV-JTQLQIEISA-N	-2	3	335.309	-0.274	20	0		EBADHL
O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2	ZINC000548530780	380213563	/nfs/dbraw/zinc/21/35/63/380213563.db2.gz	UBJQNRAAWOXFAI-SECBINFHSA-N	-2	3	348.764	-0.052	20	0		EBADHL
CC(C)n1cnc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)c1	ZINC000548544586	380215226	/nfs/dbraw/zinc/21/52/26/380215226.db2.gz	VWNUUZQWGHEDBI-SNVBAGLBSA-N	-2	3	344.393	-0.325	20	0		EBADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCCOC[C@@H]1CCCO1	ZINC000548827395	380232416	/nfs/dbraw/zinc/23/24/16/380232416.db2.gz	PXRKUHNGZSJBIV-VIFPVBQESA-N	-2	3	333.366	-0.028	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c(F)c1	ZINC000564415213	380373085	/nfs/dbraw/zinc/37/30/85/380373085.db2.gz	QQZAWIRGRJXOMX-UHFFFAOYSA-N	-2	3	345.308	-0.190	20	0		EBADHL
CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000567822887	380547269	/nfs/dbraw/zinc/54/72/69/380547269.db2.gz	OGQVONXSTFEOFO-SECBINFHSA-N	-2	3	332.382	-0.624	20	0		EBADHL
O=C([O-])[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cn2c(n1)CCCC2	ZINC000366719221	380654654	/nfs/dbraw/zinc/65/46/54/380654654.db2.gz	HENYCRUEXAPGCT-JTQLQIEISA-N	-2	3	339.377	-0.083	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)s1	ZINC000580571416	380795933	/nfs/dbraw/zinc/79/59/33/380795933.db2.gz	IWATYCPDGBIWAI-IONNQARKSA-N	-2	3	349.390	-0.131	20	0		EBADHL
CO[C@@H](CS(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1ccccc1	ZINC000571988392	381631924	/nfs/dbraw/zinc/63/19/24/381631924.db2.gz	OYCMUVBEORQBDR-NSHDSACASA-N	-2	3	330.362	-0.506	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-]	ZINC000275088755	292001820	/nfs/dbraw/zinc/00/18/20/292001820.db2.gz	OOVJPUBPNWJDDR-MRVPVSSYSA-N	-2	3	348.308	-0.781	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])c(C)o1	ZINC000275080332	292004737	/nfs/dbraw/zinc/00/47/37/292004737.db2.gz	NEMBMMVPGCTGFT-ZETCQYMHSA-N	-3	3	349.317	-0.029	20	0		EBADHL
CCCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000262249535	154220102	/nfs/dbraw/zinc/22/01/02/154220102.db2.gz	DAWSISGFIJESML-SECBINFHSA-N	-2	3	332.382	-0.542	20	0		EBADHL
CC(C)[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000262843597	154248909	/nfs/dbraw/zinc/24/89/09/154248909.db2.gz	DPJRAAVODNZBDE-QMMMGPOBSA-N	-2	3	348.153	-0.063	20	0		EBADHL
C[C@]1(c2cccc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)c2)NC(=O)[N-]C1=O	ZINC000262933513	154251315	/nfs/dbraw/zinc/25/13/15/154251315.db2.gz	KGENQGQWVSWARY-CVEARBPZSA-N	-2	3	347.327	-0.285	20	0		EBADHL
Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000358411520	157242498	/nfs/dbraw/zinc/24/24/98/157242498.db2.gz	WCGQAVFAQSNNBY-VIFPVBQESA-N	-2	3	332.320	-0.734	20	0		EBADHL
CCOCCS(=O)(=O)[N-]CC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC000659768183	419860232	/nfs/dbraw/zinc/86/02/32/419860232.db2.gz	SXKKHKAWOAYONO-UHFFFAOYSA-N	-2	3	331.350	-0.326	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c1	ZINC000496545482	420640018	/nfs/dbraw/zinc/64/00/18/420640018.db2.gz	GSSMRCRJSRKBCT-QMMMGPOBSA-N	-2	3	348.381	-0.324	20	0		EBADHL
CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1	ZINC000496713331	420644573	/nfs/dbraw/zinc/64/45/73/420644573.db2.gz	DDRLYMBEAMTBAA-UHFFFAOYSA-N	-2	3	341.349	-0.101	20	0		EBADHL
O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)c3ccccc3[O-])C2)N1	ZINC000656977343	420908033	/nfs/dbraw/zinc/90/80/33/420908033.db2.gz	WSJQSQHCKCGJPE-CYBMUJFWSA-N	-2	3	325.346	-0.245	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])ccc1F	ZINC000659063160	420988686	/nfs/dbraw/zinc/98/86/86/420988686.db2.gz	SVEUVCFYQNSMCU-ZCFIWIBFSA-N	-2	3	347.324	-0.738	20	0		EBADHL
O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1ccc3c(c1)C(=O)[N-]C3=O)C2	ZINC000659780363	421031836	/nfs/dbraw/zinc/03/18/36/421031836.db2.gz	ZFERVUXCNLIINR-JDNHERCYSA-N	-2	3	330.296	-0.257	20	0		EBADHL
CCc1nc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])cn1CC1CC1	ZINC000663250637	421128456	/nfs/dbraw/zinc/12/84/56/421128456.db2.gz	BQLPTQGVSQOUPG-UHFFFAOYSA-N	-2	3	344.393	-0.665	20	0		EBADHL
O=C([O-])[C@]1(NC(=O)CC[N-]S(=O)(=O)c2cccs2)CCOC1	ZINC000316110325	421130526	/nfs/dbraw/zinc/13/05/26/421130526.db2.gz	RVGFHCJZYWAETD-LBPRGKRZSA-N	-2	3	348.402	-0.224	20	0		EBADHL
O=C(NC[C@@H](CO)NC(=O)c1ncccc1[O-])c1ncccc1[O-]	ZINC000681745475	546309783	/nfs/dbraw/zinc/30/97/83/546309783.db2.gz	AYKSCSQGNVDOCO-VIFPVBQESA-N	-2	3	332.316	-0.592	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000726871039	582623588	/nfs/dbraw/zinc/62/35/88/582623588.db2.gz	HQOCVYLNXSLAJD-UHFFFAOYSA-N	-2	3	346.343	-0.822	20	0		EBADHL
COc1cc(C(=O)[O-])cc(NC(=O)CN2CC(=O)[N-]C2=O)c1OC	ZINC000737852230	582832027	/nfs/dbraw/zinc/83/20/27/582832027.db2.gz	PZLBSFXHJRSTIB-UHFFFAOYSA-N	-2	3	337.288	-0.108	20	0		EBADHL
C[C@@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000736586496	582944600	/nfs/dbraw/zinc/94/46/00/582944600.db2.gz	NIDUEYUHYQLIGH-JTQLQIEISA-N	-2	3	331.394	-0.108	20	0		EBADHL
C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)N1CCN(C)CC1	ZINC000736607097	582947349	/nfs/dbraw/zinc/94/73/49/582947349.db2.gz	PCDYAIWSAVXYAF-JTQLQIEISA-N	-2	3	331.394	-0.108	20	0		EBADHL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000736967678	582978049	/nfs/dbraw/zinc/97/80/49/582978049.db2.gz	CFEISGMTWDABDH-MRVPVSSYSA-N	-2	3	325.350	-0.039	20	0		EBADHL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000736967678	582978052	/nfs/dbraw/zinc/97/80/52/582978052.db2.gz	CFEISGMTWDABDH-MRVPVSSYSA-N	-2	3	325.350	-0.039	20	0		EBADHL
CN1CCN(C(=O)CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000737515546	583012286	/nfs/dbraw/zinc/01/22/86/583012286.db2.gz	LAFLAPZOBMIHSX-UHFFFAOYSA-N	-2	3	345.377	-0.580	20	0		EBADHL
Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1	ZINC000737603484	583020129	/nfs/dbraw/zinc/02/01/29/583020129.db2.gz	LBFNAMFMBPLTPZ-UHFFFAOYSA-N	-2	3	347.360	-0.352	20	0		EBADHL
Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1	ZINC000737603484	583020131	/nfs/dbraw/zinc/02/01/31/583020131.db2.gz	LBFNAMFMBPLTPZ-UHFFFAOYSA-N	-2	3	347.360	-0.352	20	0		EBADHL
COc1nc(C(=O)OCc2nc3c(cnn3C)c(=O)[n-]2)cc(=O)[n-]1	ZINC000770515841	583338576	/nfs/dbraw/zinc/33/85/76/583338576.db2.gz	FANPVJHNHAITHC-UHFFFAOYSA-N	-2	3	332.276	-0.070	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)OCc2n[nH]c(=O)[n-]2)ccc1F	ZINC000774968597	583392935	/nfs/dbraw/zinc/39/29/35/583392935.db2.gz	VRHJZVBFFZYIBS-UHFFFAOYSA-N	-2	3	330.297	-0.086	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])nc1Cl	ZINC000776585514	583406629	/nfs/dbraw/zinc/40/66/29/583406629.db2.gz	UKYDBAUOYCFPLP-SNVBAGLBSA-N	-3	3	339.757	-0.083	20	0		EBADHL
CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC000776612908	583407262	/nfs/dbraw/zinc/40/72/62/583407262.db2.gz	DEBMYPZQASNRCK-HTRCEHHLSA-N	-2	3	325.774	-0.034	20	0		EBADHL
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cn3c(n2)CCCC3)nn1	ZINC000776628882	583407715	/nfs/dbraw/zinc/40/77/15/583407715.db2.gz	YJXPJCNOFYUHGK-UHFFFAOYSA-N	-2	3	340.365	-0.626	20	0		EBADHL
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000820111902	583766825	/nfs/dbraw/zinc/76/68/25/583766825.db2.gz	GXOYJSUTAZRZDR-UHFFFAOYSA-N	-2	3	327.370	-0.480	20	0		EBADHL
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000820111902	583766828	/nfs/dbraw/zinc/76/68/28/583766828.db2.gz	GXOYJSUTAZRZDR-UHFFFAOYSA-N	-2	3	327.370	-0.480	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000820542255	583775184	/nfs/dbraw/zinc/77/51/84/583775184.db2.gz	MUGDRXRZHATGTO-ZETCQYMHSA-N	-2	3	330.308	-0.226	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000820542255	583775185	/nfs/dbraw/zinc/77/51/85/583775185.db2.gz	MUGDRXRZHATGTO-ZETCQYMHSA-N	-2	3	330.308	-0.226	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000820541467	583775280	/nfs/dbraw/zinc/77/52/80/583775280.db2.gz	FWBWUPROYHCHJP-SKDRFNHKSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000820541467	583775282	/nfs/dbraw/zinc/77/52/82/583775282.db2.gz	FWBWUPROYHCHJP-SKDRFNHKSA-N	-2	3	347.331	-0.054	20	0		EBADHL
CN(CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])S(C)(=O)=O	ZINC000821594109	583794585	/nfs/dbraw/zinc/79/45/85/583794585.db2.gz	YYGOCUWGTSUMFL-UHFFFAOYSA-N	-2	3	326.338	-0.598	20	0		EBADHL
CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000821697611	583802650	/nfs/dbraw/zinc/80/26/50/583802650.db2.gz	HZMZMCNTXXDAKR-ZETCQYMHSA-N	-2	3	326.338	-0.789	20	0		EBADHL
CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000821697611	583802652	/nfs/dbraw/zinc/80/26/52/583802652.db2.gz	HZMZMCNTXXDAKR-ZETCQYMHSA-N	-2	3	326.338	-0.789	20	0		EBADHL
Cn1c(=O)[nH]cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c1=O	ZINC000822589941	583812885	/nfs/dbraw/zinc/81/28/85/583812885.db2.gz	FKDXBAAVOQWCBV-UHFFFAOYSA-N	-2	3	329.276	-0.376	20	0		EBADHL
C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000825458665	583861029	/nfs/dbraw/zinc/86/10/29/583861029.db2.gz	JUUZRCRRKDSGQY-NKWVEPMBSA-N	-2	3	325.325	-0.022	20	0		EBADHL
C[C@@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@@H]1CNC(=O)[O-]	ZINC000825914169	583870767	/nfs/dbraw/zinc/87/07/67/583870767.db2.gz	XUSFCJWFGUOFHM-RNFRBKRXSA-N	-2	3	325.325	-0.022	20	0		EBADHL
Cn1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1	ZINC000826363038	583894813	/nfs/dbraw/zinc/89/48/13/583894813.db2.gz	UJDODKLLVPJDPE-UHFFFAOYSA-N	-2	3	347.360	-0.352	20	0		EBADHL
Cn1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1	ZINC000826363038	583894815	/nfs/dbraw/zinc/89/48/15/583894815.db2.gz	UJDODKLLVPJDPE-UHFFFAOYSA-N	-2	3	347.360	-0.352	20	0		EBADHL
CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)C1=O	ZINC000826956732	583912707	/nfs/dbraw/zinc/91/27/07/583912707.db2.gz	ZYQLFKRXWGJLOG-VIFPVBQESA-N	-2	3	332.378	-0.303	20	0		EBADHL
C[C@H](CS(=O)(=O)[N-][C@H]1CCCN(c2cnn(C)c2)C1=O)C(=O)[O-]	ZINC000827553883	583923504	/nfs/dbraw/zinc/92/35/04/583923504.db2.gz	RDSXLQWYGDOWAU-KOLCDFICSA-N	-2	3	344.393	-0.444	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NC2CN(C(=O)[O-])C2)ccc1F	ZINC000828579924	583943036	/nfs/dbraw/zinc/94/30/36/583943036.db2.gz	SHBDPMIRPAUDSR-UHFFFAOYSA-N	-2	3	331.325	-0.174	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(COC)C(=O)[O-])ccc1F	ZINC000831029341	583974966	/nfs/dbraw/zinc/97/49/66/583974966.db2.gz	OZTCPNHWCHOLTR-ZDUSSCGKSA-N	-2	3	348.352	-0.047	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)OC[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000831041026	583975294	/nfs/dbraw/zinc/97/52/94/583975294.db2.gz	HJMZTKLMNHUOIE-VIFPVBQESA-N	-2	3	346.365	-0.759	20	0		EBADHL
Cn1ncc2c1nc(COC(=O)[C@@H]1COCCN1C(=O)[O-])[n-]c2=O	ZINC000831054805	583975437	/nfs/dbraw/zinc/97/54/37/583975437.db2.gz	KJJVVYFRKVDSKO-QMMMGPOBSA-N	-2	3	337.292	-0.509	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cn1C	ZINC000833003396	584002931	/nfs/dbraw/zinc/00/29/31/584002931.db2.gz	QZHDZJGLDMPQRJ-SCZZXKLOSA-N	-2	3	344.393	-0.814	20	0		EBADHL
Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])C2=O)cn1	ZINC000833047631	584003480	/nfs/dbraw/zinc/00/34/80/584003480.db2.gz	WQPGHLJQQJFACI-NSHDSACASA-N	-2	3	344.393	-0.300	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H](CC(=O)[O-])C2CC2)c1	ZINC000833057566	584003634	/nfs/dbraw/zinc/00/36/34/584003634.db2.gz	DNTMUIATRUVCSS-VIFPVBQESA-N	-2	3	330.366	-0.932	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1	ZINC000833057852	584003730	/nfs/dbraw/zinc/00/37/30/584003730.db2.gz	LJSYYVAKFNJZAL-GFCCVEGCSA-N	-2	3	330.366	-0.932	20	0		EBADHL
CC(=O)N1CCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1	ZINC000833391837	584009702	/nfs/dbraw/zinc/00/97/02/584009702.db2.gz	WMKMXFJAZAGUSD-UHFFFAOYSA-N	-2	3	345.377	-0.580	20	0		EBADHL
CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000833502818	584011599	/nfs/dbraw/zinc/01/15/99/584011599.db2.gz	XDOLRNPNTLSMMS-UHFFFAOYSA-N	-2	3	340.379	-0.416	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H](C)CNC(=O)[O-])cn1C	ZINC000833917351	584019701	/nfs/dbraw/zinc/01/97/01/584019701.db2.gz	YBRVPVQBDQIADK-QMMMGPOBSA-N	-2	3	347.397	-0.973	20	0		EBADHL
Cn1cc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)c(=O)[n-]c1=O	ZINC000833945361	584020310	/nfs/dbraw/zinc/02/03/10/584020310.db2.gz	PPHAFJNVGHTPDA-NGZCFLSTSA-N	-2	3	336.348	-0.006	20	0		EBADHL
O=C([O-])N1CCC[C@H](n2cc(C(=O)[N-]N3CC(=O)NC3=O)cn2)C1	ZINC000834290902	584030933	/nfs/dbraw/zinc/03/09/33/584030933.db2.gz	YQOSYRZIOBQWMI-VIFPVBQESA-N	-2	3	336.308	-0.605	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c1	ZINC000841783451	584055146	/nfs/dbraw/zinc/05/51/46/584055146.db2.gz	YSLQQWOKLVGQSX-LBPRGKRZSA-N	-2	3	335.309	-0.274	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000844601058	584095274	/nfs/dbraw/zinc/09/52/74/584095274.db2.gz	CDDXERUGIGBUGV-NSHDSACASA-N	-2	3	349.347	-0.374	20	0		EBADHL
NC(=O)CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-]	ZINC000844783345	584097020	/nfs/dbraw/zinc/09/70/20/584097020.db2.gz	BRDRPPCKEICUKO-ZETCQYMHSA-N	-2	3	339.732	-0.129	20	0		EBADHL
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000844787785	584097097	/nfs/dbraw/zinc/09/70/97/584097097.db2.gz	ZVBVEJZYVQHFCI-ADEWGFFLSA-N	-2	3	344.389	-0.431	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c(F)cc1C	ZINC000849221253	584166905	/nfs/dbraw/zinc/16/69/05/584166905.db2.gz	HAPZWAOOBMSECO-SECBINFHSA-N	-2	3	335.309	-0.355	20	0		EBADHL
CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1	ZINC000860754501	584321696	/nfs/dbraw/zinc/32/16/96/584321696.db2.gz	IAUZXGGFLRYVJP-NSHDSACASA-N	-2	3	325.350	-0.467	20	0		EBADHL
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000739296147	600161167	/nfs/dbraw/zinc/16/11/67/600161167.db2.gz	CSKIJYIQWLTVFB-JGVFFNPUSA-N	-2	3	346.299	-0.184	20	0		EBADHL
O=C([O-])N1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(=O)C1	ZINC000740370936	603014590	/nfs/dbraw/zinc/01/45/90/603014590.db2.gz	FYDKRPWMKGFDRL-UHFFFAOYSA-N	-2	3	345.319	-0.373	20	0		EBADHL
O=C([O-])N1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C(=O)C1	ZINC000740370936	603014594	/nfs/dbraw/zinc/01/45/94/603014594.db2.gz	FYDKRPWMKGFDRL-UHFFFAOYSA-N	-2	3	345.319	-0.373	20	0		EBADHL
CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O	ZINC000042624368	649942433	/nfs/dbraw/zinc/94/24/33/649942433.db2.gz	PAVMJYDWGACIOG-UHFFFAOYSA-N	-2	3	325.346	-0.122	20	0		EBADHL
O=C(NNC(=O)c1ccccc1[O-])c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000047477566	649948021	/nfs/dbraw/zinc/94/80/21/649948021.db2.gz	ZSZXHDGNBBTPHW-UHFFFAOYSA-N	-2	3	341.283	-0.196	20	0		EBADHL
CCCCNC(=O)[N-][N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000065832743	649964164	/nfs/dbraw/zinc/96/41/64/649964164.db2.gz	CYIJCQKCDGBQQQ-UHFFFAOYSA-N	-2	3	339.381	-0.045	20	0		EBADHL
CCNS(=O)(=O)CC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000230989827	649983511	/nfs/dbraw/zinc/98/35/11/649983511.db2.gz	POKVVIZFUIRRBD-UHFFFAOYSA-N	-2	3	343.408	-0.941	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C2)c1[O-]	ZINC000937827936	651935864	/nfs/dbraw/zinc/93/58/64/651935864.db2.gz	AEBOTZBELQKATF-VIFPVBQESA-N	-2	3	346.347	-0.128	20	0		EBADHL
O=C(N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1)c1ncccc1[O-]	ZINC000937866105	651959766	/nfs/dbraw/zinc/95/97/66/651959766.db2.gz	UCIUPHUNQIEGJM-VIFPVBQESA-N	-2	3	329.316	-0.073	20	0		EBADHL
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cnc[n-]c1=O	ZINC000942168236	653051612	/nfs/dbraw/zinc/05/16/12/653051612.db2.gz	OZTMXAJMPHBJHQ-SCZZXKLOSA-N	-2	3	333.352	-0.354	20	0		EBADHL
C[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1Cc1n[nH]c(=O)[n-]1	ZINC000947433857	653401833	/nfs/dbraw/zinc/40/18/33/653401833.db2.gz	NBQANFKFUHGWEI-IUCAKERBSA-N	-2	3	333.352	-0.211	20	0		EBADHL
O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccc1[O-]	ZINC000957887071	722258590	/nfs/dbraw/zinc/25/85/90/722258590.db2.gz	RJRJUVJDPQAHOR-SKDRFNHKSA-N	-2	3	333.348	-0.561	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC000970312131	725276503	/nfs/dbraw/zinc/27/65/03/725276503.db2.gz	GWCKBLPCJCSAKM-ZETCQYMHSA-N	-2	3	333.352	-0.435	20	0		EBADHL
Cc1n[nH]c(C(=O)NC2CC(CNC(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000992197519	725746229	/nfs/dbraw/zinc/74/62/29/725746229.db2.gz	LGAQOLYFFWUINU-UHFFFAOYSA-N	-2	3	346.347	-0.142	20	0		EBADHL
O=C(NCC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccccc1[O-]	ZINC001000988831	726586180	/nfs/dbraw/zinc/58/61/80/726586180.db2.gz	LZAKZUJBBZDRCG-UHFFFAOYSA-N	-2	3	345.315	-0.510	20	0		EBADHL
O=C(NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnc[n-]c1=O	ZINC001001519855	726610244	/nfs/dbraw/zinc/61/02/44/726610244.db2.gz	GTIJIMMURZNPGJ-UHFFFAOYSA-N	-2	3	333.352	-0.352	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CCN(C(=O)c3c(C)nc[n-]c3=O)CC2)c1[O-]	ZINC001011009309	727177379	/nfs/dbraw/zinc/17/73/79/727177379.db2.gz	CSQAHMOMFYDKJQ-UHFFFAOYSA-N	-2	3	346.347	-0.174	20	0		EBADHL
O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc(=O)[n-]c(C2CC2)n1	ZINC001030491960	730595038	/nfs/dbraw/zinc/59/50/38/730595038.db2.gz	ZRENVUKNTZIMAZ-UHFFFAOYSA-N	-2	3	331.336	-0.503	20	0		EBADHL
O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cc(=O)[n-]c(C2CC2)n1	ZINC001038375067	731315015	/nfs/dbraw/zinc/31/50/15/731315015.db2.gz	HBXAWQALSYXJMA-VIFPVBQESA-N	-2	3	345.363	-0.112	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1	ZINC001042108602	732319875	/nfs/dbraw/zinc/31/98/75/732319875.db2.gz	DYHXLHCMWPFNFH-MWLCHTKSSA-N	-2	3	345.363	-0.258	20	0		EBADHL
Cc1nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cc(=O)[n-]1	ZINC001226511395	811868422	/nfs/dbraw/zinc/86/84/22/811868422.db2.gz	YOLDZHPBLZQWOV-SNVBAGLBSA-N	-2	3	333.366	-0.542	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1nc2ncnc-2c([S-])[n-]1)[C@@H](O)C(=O)[O-]	ZINC001226785082	811884627	/nfs/dbraw/zinc/88/46/27/811884627.db2.gz	JMWVUJKUNTYTLW-AWFVSMACSA-N	-4	3	342.289	-0.917	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=S)nc2[nH]ccc21)[C@H](O)C(=O)[O-]	ZINC001228529299	811985361	/nfs/dbraw/zinc/98/53/61/811985361.db2.gz	SGAAEMDKDBTITN-VDTYLAMSSA-N	-3	3	341.301	-0.312	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2c1SCC2)[C@H](O)C(=O)[O-]	ZINC001230791666	812235107	/nfs/dbraw/zinc/23/51/07/812235107.db2.gz	GMAYYRZOHREEJC-FBCQKBJTSA-N	-3	3	344.301	-0.728	20	0		EBADHL
COC(=O)C([N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)=C(C)[O-]	ZINC001260179418	812830223	/nfs/dbraw/zinc/83/02/23/812830223.db2.gz	LHHWTFJFXXOPGD-SSDOTTSWSA-N	-2	3	347.740	-0.813	20	0		EBADHL
CSCCO[N-]C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC001261185215	812876308	/nfs/dbraw/zinc/87/63/08/812876308.db2.gz	GQHRTJOKURSCOR-UHFFFAOYSA-N	-2	3	327.288	-0.150	20	0		EBADHL
Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)c1[O-]	ZINC001085549810	816069531	/nfs/dbraw/zinc/06/95/31/816069531.db2.gz	DZIOMQZWJMJWER-SECBINFHSA-N	-2	3	335.368	-0.808	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)c1ccc[nH]1	ZINC001087255504	816483036	/nfs/dbraw/zinc/48/30/36/816483036.db2.gz	WZRJIEVRIFUPQK-UHFFFAOYSA-N	-2	3	344.335	-0.446	20	0		EBADHL
CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1Cc1nc(=O)n(C)[n-]1	ZINC001087544104	816530030	/nfs/dbraw/zinc/53/00/30/816530030.db2.gz	UJMTTWJQDJNOSR-VHSXEESVSA-N	-2	3	349.395	-0.372	20	0		EBADHL
CO[N-]C(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-]	ZINC001179623885	832995373	/nfs/dbraw/zinc/99/53/73/832995373.db2.gz	VGSHUCBEGFJLPJ-UHFFFAOYSA-N	-2	3	336.279	-0.719	20	0		EBADHL
CO[N-]C(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O	ZINC001179623885	832995377	/nfs/dbraw/zinc/99/53/77/832995377.db2.gz	VGSHUCBEGFJLPJ-UHFFFAOYSA-N	-2	3	336.279	-0.719	20	0		EBADHL
O=C(N[C@@H](CO)Cc1cnc[nH]1)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148928179	830557630	/nfs/dbraw/zinc/55/76/30/830557630.db2.gz	XJDZCGLAAJMNOY-SECBINFHSA-N	-2	3	341.345	-0.305	20	0		EBADHL
CCOC(=O)CS(=O)(=O)[N-]c1nc(N(C)C)[n-]c(=O)c1N=O	ZINC001195942455	835313306	/nfs/dbraw/zinc/31/33/06/835313306.db2.gz	NLMJWSNVICEQRL-UHFFFAOYSA-N	-2	3	333.326	-0.049	20	0		EBADHL
CO[N-]C(=O)C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC	ZINC001213913043	837900312	/nfs/dbraw/zinc/90/03/12/837900312.db2.gz	STSAKBVOUAKUMJ-UHFFFAOYSA-N	-2	3	338.363	-0.501	20	0		EBADHL
O=C([O-])CN1CCCC[C@H]([N-]S(=O)(=O)Cc2ccno2)C1=O	ZINC001595096343	951817066	/nfs/dbraw/zinc/81/70/66/951817066.db2.gz	IRHHQWYUZAPYPN-JTQLQIEISA-N	-2	3	331.350	-0.440	20	0		EBADHL
Cc1nocc1S(=O)(=O)[N-][C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594501348	955323203	/nfs/dbraw/zinc/32/32/03/955323203.db2.gz	IKFXLSSGDSNMQN-SECBINFHSA-N	-2	3	331.350	-0.273	20	0		EBADHL
Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C2	ZINC001594460323	959449628	/nfs/dbraw/zinc/44/96/28/959449628.db2.gz	GQPCJIGZDYKHJA-VIFPVBQESA-N	-2	3	334.332	-0.344	20	0		EBADHL
CCN1C[C@H](C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1=O	ZINC001571191610	962264131	/nfs/dbraw/zinc/26/41/31/962264131.db2.gz	WBUNYUVMEKHLRP-QMMMGPOBSA-N	-2	3	330.366	-0.437	20	0		EBADHL
CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001571213710	962479891	/nfs/dbraw/zinc/47/98/91/962479891.db2.gz	OKUWJPPJWDIMBL-QMMMGPOBSA-N	-2	3	332.382	-0.145	20	0		EBADHL
O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CC2(CC(NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC001571223728	962566312	/nfs/dbraw/zinc/56/63/12/962566312.db2.gz	LAFFIARTTHSBQQ-SUJPSOIASA-N	-2	3	335.364	-0.252	20	0		EBADHL
O=C([O-])CN1CCC[C@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1=O	ZINC001606252823	973565084	/nfs/dbraw/zinc/56/50/84/973565084.db2.gz	BCHPMLFFRDSBKF-ZCFIWIBFSA-N	-2	3	349.269	-0.237	20	0		EBADHL
CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001603894454	974390779	/nfs/dbraw/zinc/39/07/79/974390779.db2.gz	FMDXCQOYEGFQTP-QMMMGPOBSA-N	-2	3	344.411	-0.265	20	0		EBADHL
CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc1F	ZINC001591669729	975430501	/nfs/dbraw/zinc/43/05/01/975430501.db2.gz	ZRKVZATWZFDTHO-JTQLQIEISA-N	-2	3	348.352	-0.312	20	0		EBADHL
CC[C@](COC)([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-]	ZINC001595199791	979944389	/nfs/dbraw/zinc/94/43/89/979944389.db2.gz	NHOPHEKNTBLEAA-AYLIAGHASA-N	-2	3	331.416	-0.725	20	0		EBADHL
CC[C@](COC)([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC	ZINC001595200273	979948739	/nfs/dbraw/zinc/94/87/39/979948739.db2.gz	WTBHBVGUWUZISN-LLVKDONJSA-N	-2	3	335.338	-0.646	20	0		EBADHL
CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)COCC(=O)[O-]	ZINC001596754546	985115297	/nfs/dbraw/zinc/11/52/97/985115297.db2.gz	QIOLOEYCVVKPEB-MRVPVSSYSA-N	-2	3	326.309	-0.254	20	0		EBADHL
CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)COCC(=O)[O-]	ZINC001596754546	985115307	/nfs/dbraw/zinc/11/53/07/985115307.db2.gz	QIOLOEYCVVKPEB-MRVPVSSYSA-N	-2	3	326.309	-0.254	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)[O-])s1	ZINC001589224808	985748698	/nfs/dbraw/zinc/74/86/98/985748698.db2.gz	LGQKKKZYTCNNOU-SSDOTTSWSA-N	-2	3	337.379	-0.396	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(C(=O)N2CC(O)(C(=O)[O-])C2)c(Cl)c1	ZINC001599759837	992105164	/nfs/dbraw/zinc/10/51/64/992105164.db2.gz	JBYHOWZPBWOQIE-UHFFFAOYSA-N	-2	3	348.764	-0.017	20	0		EBADHL
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC001598632642	994195038	/nfs/dbraw/zinc/19/50/38/994195038.db2.gz	NWQBAQQFNNRGBB-LURJTMIESA-N	-2	3	338.288	-0.952	20	0		EBADHL
CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC001598632644	994195470	/nfs/dbraw/zinc/19/54/70/994195470.db2.gz	NWQBAQQFNNRGBB-ZCFIWIBFSA-N	-2	3	338.288	-0.952	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)[O-])CC2)co1	ZINC001598673198	994794124	/nfs/dbraw/zinc/79/41/24/994794124.db2.gz	IRYCTACLXJXVBJ-UHFFFAOYSA-N	-2	3	331.350	-0.970	20	0		EBADHL
COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001598699767	995203228	/nfs/dbraw/zinc/20/32/28/995203228.db2.gz	ZOEWIPMZVAVATF-QMMMGPOBSA-N	-2	3	337.350	-0.782	20	0		EBADHL
COC(=O)CSCC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001598867865	996719307	/nfs/dbraw/zinc/71/93/07/996719307.db2.gz	DNGHINPPDMLOKX-UHFFFAOYSA-N	-2	3	337.379	-0.399	20	0		EBADHL
COC(=O)c1nscc1S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)[O-]	ZINC001599017029	998947184	/nfs/dbraw/zinc/94/71/84/998947184.db2.gz	DNBYBEYLNVDTKY-SSDOTTSWSA-N	-2	3	338.363	-0.568	20	0		EBADHL
C[C@H]1CN(C(=O)CN2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CCO1	ZINC001594464972	999681564	/nfs/dbraw/zinc/68/15/64/999681564.db2.gz	HNBWWLGBFLPJJP-IRDPIATMSA-N	-2	3	340.376	-0.269	20	0		EBADHL
CNC(=O)[N-][N-]S(=O)(=O)c1cc(CNC(C)=O)ccc1OC	ZINC000057124750	1125814624	/nfs/dbraw/zinc/81/46/24/1125814624.db2.gz	VOSZAANXOJEOQW-UHFFFAOYSA-N	-2	3	330.366	-0.546	20	0		EBADHL
Cn1[n-]c(CN2CC[C@@H](CCNC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001481427016	1125986671	/nfs/dbraw/zinc/98/66/71/1125986671.db2.gz	FQDMNDFINXXXAZ-LLVKDONJSA-N	-2	3	346.391	-0.149	20	0		EBADHL
O=C(CN1CCCC2(CC2)S1(=O)=O)NCc1nc([O-])cc(=O)[n-]1	ZINC001362727384	1131655543	/nfs/dbraw/zinc/65/55/43/1131655543.db2.gz	USLKSNFBZDPDJD-UHFFFAOYSA-N	-2	3	342.377	-0.538	20	0		EBADHL
C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134716046	376033928	/nfs/dbraw/zinc/03/39/28/376033928.db2.gz	CPQGDFBJLQWYDY-RXMQYKEDSA-N	-2	3	328.393	-0.447	20	0		EBADHL
COC(=O)C1(CS(=O)(=O)[N-]Cc2ncc(C(=O)[O-])cn2)CCC1	ZINC000600657631	376475809	/nfs/dbraw/zinc/47/58/09/376475809.db2.gz	HSCFMVJISCJGKM-UHFFFAOYSA-N	-2	3	343.361	-0.063	20	0		EBADHL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCOCC(N)=O)c1	ZINC000273845372	379663080	/nfs/dbraw/zinc/66/30/80/379663080.db2.gz	XRKWPICWLMIZAK-UHFFFAOYSA-N	-2	3	334.325	-0.387	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])cc(F)c1F	ZINC000274878300	379720695	/nfs/dbraw/zinc/72/06/95/379720695.db2.gz	CARYEIJDGRMWJK-QMMMGPOBSA-N	-2	3	339.272	-0.525	20	0		EBADHL
O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275048462	379733266	/nfs/dbraw/zinc/73/32/66/379733266.db2.gz	WTMVZTXKBVCBBY-ZCFIWIBFSA-N	-3	3	329.290	-0.323	20	0		EBADHL
Cc1ncc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)s1	ZINC000275055969	379734027	/nfs/dbraw/zinc/73/40/27/379734027.db2.gz	YAEFTLIMTJHLHN-QMMMGPOBSA-N	-2	3	333.391	-0.337	20	0		EBADHL
Cc1cc(C(=O)N2CCN(C[C@H](C)O)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000275142195	379737924	/nfs/dbraw/zinc/73/79/24/379737924.db2.gz	OSDVNVNJAMBCKG-JTQLQIEISA-N	-2	3	347.375	-0.117	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])cc1F	ZINC000278155483	379914749	/nfs/dbraw/zinc/91/47/49/379914749.db2.gz	OSISPQJXQAZNEP-JTQLQIEISA-N	-2	3	335.309	-0.274	20	0		EBADHL
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1=O	ZINC000278950228	379938634	/nfs/dbraw/zinc/93/86/34/379938634.db2.gz	YTGKHWVSRYDLLJ-OAHLLOKOSA-N	-2	3	330.300	-0.065	20	0		EBADHL
COCCn1[n-]c(C)c(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1=O	ZINC000540930700	380017915	/nfs/dbraw/zinc/01/79/15/380017915.db2.gz	QAIBUYSQABDDOK-GFCCVEGCSA-N	-2	3	344.327	-0.011	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)nc1C	ZINC000547566257	380145307	/nfs/dbraw/zinc/14/53/07/380145307.db2.gz	UDDCGMKZSPYPFA-JTQLQIEISA-N	-2	3	344.393	-0.577	20	0		EBADHL
CCn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])c1	ZINC000547577516	380147549	/nfs/dbraw/zinc/14/75/49/380147549.db2.gz	KWCRUJCQWJBFTJ-LLVKDONJSA-N	-2	3	341.393	-0.142	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-][C@H](CN2CCCCC2)C(=O)[O-])cn1C	ZINC000547884914	380168492	/nfs/dbraw/zinc/16/84/92/380168492.db2.gz	ANIOCKQHWCIEBT-LLVKDONJSA-N	-2	3	330.410	-0.054	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-]	ZINC000548201104	380188038	/nfs/dbraw/zinc/18/80/38/380188038.db2.gz	CESJYFRMKFEHLH-LURJTMIESA-N	-2	3	348.333	-0.765	20	0		EBADHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-]	ZINC000564779075	380379484	/nfs/dbraw/zinc/37/94/84/380379484.db2.gz	LGUWXYJNEIIODN-SECBINFHSA-N	-2	3	333.366	-0.166	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-][C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])c1	ZINC000275290201	380570686	/nfs/dbraw/zinc/57/06/86/380570686.db2.gz	PEAINIMCQMWHNU-QMMMGPOBSA-N	-2	3	333.366	-0.117	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-]	ZINC000576565074	380776602	/nfs/dbraw/zinc/77/66/02/380776602.db2.gz	LUNGPIXKHGMDFM-SECBINFHSA-N	-2	3	335.309	-0.010	20	0		EBADHL
Cc1nn2cc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])cnc2c1Cl	ZINC000577324865	380818712	/nfs/dbraw/zinc/81/87/12/380818712.db2.gz	PIOPQOYOTIRNGT-MRVPVSSYSA-N	-2	3	348.768	-0.195	20	0		EBADHL
CC(C)Sc1nc([N-]S(=O)(=O)CCCS(N)(=O)=O)n[n-]1	ZINC000349443651	380876656	/nfs/dbraw/zinc/87/66/56/380876656.db2.gz	BDYJEKVXPCHEDX-UHFFFAOYSA-N	-2	3	343.456	-0.275	20	0		EBADHL
O=C(c1nn(-c2ccccc2)cc1[O-])N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000579747702	381012161	/nfs/dbraw/zinc/01/21/61/381012161.db2.gz	JLCCLAIHHJUDLZ-NSHDSACASA-N	-2	3	341.327	-0.046	20	0		EBADHL
C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])cn21	ZINC000581418117	381073226	/nfs/dbraw/zinc/07/32/26/381073226.db2.gz	WLGHGBKOTIMFRV-YUMQZZPRSA-N	-3	3	331.350	-0.013	20	0		EBADHL
CCCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000347266433	381200762	/nfs/dbraw/zinc/20/07/62/381200762.db2.gz	MJYAXXFHGMGVQO-SNVBAGLBSA-N	-2	3	346.409	-0.234	20	0		EBADHL
CCN(CCO)CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000347805053	381277178	/nfs/dbraw/zinc/27/71/78/381277178.db2.gz	JLXCWDOWWXIYOE-UHFFFAOYSA-N	-2	3	335.364	-0.212	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)c1	ZINC000582168769	381478983	/nfs/dbraw/zinc/47/89/83/381478983.db2.gz	NADRTDHAGYSXTQ-WKEGUHRASA-N	-2	3	335.309	-0.275	20	0		EBADHL
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C	ZINC000261646219	154196061	/nfs/dbraw/zinc/19/60/61/154196061.db2.gz	GYCMIEZFQMAPBA-LURJTMIESA-N	-2	3	342.333	-0.872	20	0		EBADHL
COC[C@@](C)(NC(=O)C[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000262171292	154216658	/nfs/dbraw/zinc/21/66/58/154216658.db2.gz	NUSLXOJANNPGBE-LLVKDONJSA-N	-2	3	336.391	-0.368	20	0		EBADHL
COCC[C@H](NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000262322854	154224613	/nfs/dbraw/zinc/22/46/13/154224613.db2.gz	SGMGILQRAMOVDS-MEDUHNTESA-N	-2	3	349.343	-0.039	20	0		EBADHL
COCC[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-]	ZINC000262321417	154225267	/nfs/dbraw/zinc/22/52/67/154225267.db2.gz	RZHXTLNZODYVSV-GFCCVEGCSA-N	-2	3	349.343	-0.314	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000262404547	154230456	/nfs/dbraw/zinc/23/04/56/154230456.db2.gz	OGYREAJRWHXVSJ-AMIZOPFISA-N	-2	3	348.352	-0.556	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)(C)C(=O)[O-]	ZINC000262476141	154232985	/nfs/dbraw/zinc/23/29/85/154232985.db2.gz	SYEGNSRJYRTEAN-ZETCQYMHSA-N	-2	3	333.366	-0.062	20	0		EBADHL
O=C([O-])[C@H]1COCCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000262527787	154234700	/nfs/dbraw/zinc/23/47/00/154234700.db2.gz	RXRFBRGQBMSADC-GFCCVEGCSA-N	-2	3	347.327	-0.608	20	0		EBADHL
CC[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262524092	154235067	/nfs/dbraw/zinc/23/50/67/154235067.db2.gz	REJUSCIEKJGNMC-VXNVDRBHSA-N	-2	3	333.366	-0.062	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCCC(=O)[O-])cn1C	ZINC000262704482	154244455	/nfs/dbraw/zinc/24/44/55/154244455.db2.gz	AGBYWYNCAOFNEB-UHFFFAOYSA-N	-2	3	332.382	-0.622	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000262895398	154250137	/nfs/dbraw/zinc/25/01/37/154250137.db2.gz	AQXKUWBDHDAQPK-IUCAKERBSA-N	-2	3	348.402	-0.273	20	0		EBADHL
COC[C@@](C)(NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000263006407	154253375	/nfs/dbraw/zinc/25/33/75/154253375.db2.gz	WADATRUCURRPCY-HZPDHXFCSA-N	-2	3	349.343	-0.039	20	0		EBADHL
C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-]	ZINC000263511981	154259002	/nfs/dbraw/zinc/25/90/02/154259002.db2.gz	YCXYMFLEWDDFQR-SNVBAGLBSA-N	-2	3	335.725	-0.010	20	0		EBADHL
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-]	ZINC000275290232	154646389	/nfs/dbraw/zinc/64/63/89/154646389.db2.gz	PEYJDYSINFPUGF-QMMMGPOBSA-N	-2	3	337.737	-0.150	20	0		EBADHL
COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)OC	ZINC000292014241	155027553	/nfs/dbraw/zinc/02/75/53/155027553.db2.gz	ZAEUVINCTWOMMP-VIFPVBQESA-N	-2	3	335.309	-0.010	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]2C(=O)[O-])cn1C	ZINC000346356837	156399936	/nfs/dbraw/zinc/39/99/36/156399936.db2.gz	WDPYJCVAGMHQFK-VIFPVBQESA-N	-2	3	330.366	-0.918	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000358391211	157240748	/nfs/dbraw/zinc/24/07/48/157240748.db2.gz	OFAHCAHWARSSBR-ZETCQYMHSA-N	-2	3	343.340	-0.367	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](CC(C)C)C(=O)[O-])cn1C	ZINC000360818429	157398916	/nfs/dbraw/zinc/39/89/16/157398916.db2.gz	NLWLDCXRVRRTQH-SNVBAGLBSA-N	-2	3	346.409	-0.378	20	0		EBADHL
CC(=O)NCCN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)[C@@H](C)C(=O)[O-]	ZINC000516650554	419171047	/nfs/dbraw/zinc/17/10/47/419171047.db2.gz	POANZALQFXETAI-QMMMGPOBSA-N	-2	3	339.352	-0.700	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274950612	419325220	/nfs/dbraw/zinc/32/52/20/419325220.db2.gz	SNMVCGZOTGFOCM-SSDOTTSWSA-N	-3	3	349.292	-0.182	20	0		EBADHL
Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C2	ZINC000656181287	420882927	/nfs/dbraw/zinc/88/29/27/420882927.db2.gz	QXQZGEWLXKMLFK-ZCFIWIBFSA-N	-2	3	343.390	-0.194	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000659172815	420993148	/nfs/dbraw/zinc/99/31/48/420993148.db2.gz	NPKGCXVSTWOIPZ-XKSSXDPKSA-N	-2	3	348.402	-0.227	20	0		EBADHL
C[C@@]1(c2ccc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000659173173	420993890	/nfs/dbraw/zinc/99/38/90/420993890.db2.gz	QNLPAVLODGBZKV-GDLVEWKHSA-N	-2	3	347.327	-0.287	20	0		EBADHL
COc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c([O-])c1	ZINC000424255817	265056695	/nfs/dbraw/zinc/05/66/95/265056695.db2.gz	ZYSUXCVFTKYYNK-LLVKDONJSA-N	-2	3	329.330	-0.275	20	0		EBADHL
CCC(CC)(CNC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)C(=O)[O-]	ZINC000424421078	265061225	/nfs/dbraw/zinc/06/12/25/265061225.db2.gz	CNFIPPYZWITUJR-VIFPVBQESA-N	-2	3	326.353	-0.177	20	0		EBADHL
Cc1cc(C(=O)N2CCN(CCO)[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000428533721	265126798	/nfs/dbraw/zinc/12/67/98/265126798.db2.gz	NQRFFAPFBGCWPQ-SNVBAGLBSA-N	-2	3	347.375	-0.117	20	0		EBADHL
CN(Cc1n[n-]c(=O)o1)C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000673479055	546139800	/nfs/dbraw/zinc/13/98/00/546139800.db2.gz	SQECHPLAUXEBNX-UHFFFAOYSA-N	-2	3	332.363	-0.226	20	0		EBADHL
CC(C)(C)NS(=O)(=O)C=C([O-])n1ncc(-c2nnn[n-]2)c1N	ZINC000735623698	582902193	/nfs/dbraw/zinc/90/21/93/582902193.db2.gz	OVOSATPICPDCQF-UHFFFAOYSA-N	-2	3	328.358	-0.997	20	0		EBADHL
CC(C)(C)NS(=O)(=O)C=C([O-])n1ncc(-c2nn[n-]n2)c1N	ZINC000735623698	582902196	/nfs/dbraw/zinc/90/21/96/582902196.db2.gz	OVOSATPICPDCQF-UHFFFAOYSA-N	-2	3	328.358	-0.997	20	0		EBADHL
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000736967680	582977943	/nfs/dbraw/zinc/97/79/43/582977943.db2.gz	CFEISGMTWDABDH-QMMMGPOBSA-N	-2	3	325.350	-0.039	20	0		EBADHL
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000736967680	582977945	/nfs/dbraw/zinc/97/79/45/582977945.db2.gz	CFEISGMTWDABDH-QMMMGPOBSA-N	-2	3	325.350	-0.039	20	0		EBADHL
O=C(NN1CC(=O)[N-]C1=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000743287836	583084642	/nfs/dbraw/zinc/08/46/42/583084642.db2.gz	RCWJJGOXGZSSKZ-JTQLQIEISA-N	-2	3	332.316	-0.420	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)NCc1n[n-]c(C(F)(F)F)n1	ZINC000775907966	583399505	/nfs/dbraw/zinc/39/95/05/583399505.db2.gz	NWLLJPZLSYORKV-UHFFFAOYSA-N	-2	3	332.242	-0.620	20	0		EBADHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)[C@H]1CCOC1	ZINC000776503610	583405449	/nfs/dbraw/zinc/40/54/49/583405449.db2.gz	OXTWZWPBKJEHQV-JOYOIKCWSA-N	-2	3	329.378	-0.013	20	0		EBADHL
C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000820529779	583774949	/nfs/dbraw/zinc/77/49/49/583774949.db2.gz	RQKXQEHIZBTLOD-ZETCQYMHSA-N	-2	3	330.308	-0.226	20	0		EBADHL
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000820529779	583774951	/nfs/dbraw/zinc/77/49/51/583774951.db2.gz	RQKXQEHIZBTLOD-ZETCQYMHSA-N	-2	3	330.308	-0.226	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H]2CCCN2CC(=O)[O-])o1	ZINC000820645211	583776803	/nfs/dbraw/zinc/77/68/03/583776803.db2.gz	BCWYZQYOVPDQBL-SECBINFHSA-N	-2	3	346.361	-0.107	20	0		EBADHL
C[C@@H]1CCCN(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)C1	ZINC000820708933	583777896	/nfs/dbraw/zinc/77/78/96/583777896.db2.gz	AAXJBZHJCPCNQD-MRVPVSSYSA-N	-2	3	326.386	-0.011	20	0		EBADHL
C[C@@H]1CCCN(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)C1	ZINC000820708933	583777899	/nfs/dbraw/zinc/77/78/99/583777899.db2.gz	AAXJBZHJCPCNQD-MRVPVSSYSA-N	-2	3	326.386	-0.011	20	0		EBADHL
CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000821388951	583790495	/nfs/dbraw/zinc/79/04/95/583790495.db2.gz	CCFKHJCDECTCFM-QMMMGPOBSA-N	-2	3	340.365	-0.399	20	0		EBADHL
CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000821388951	583790497	/nfs/dbraw/zinc/79/04/97/583790497.db2.gz	CCFKHJCDECTCFM-QMMMGPOBSA-N	-2	3	340.365	-0.399	20	0		EBADHL
COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000821689089	583801494	/nfs/dbraw/zinc/80/14/94/583801494.db2.gz	KFGAKFQZZDDECK-UHFFFAOYSA-N	-2	3	340.365	-0.581	20	0		EBADHL
COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000821689089	583801496	/nfs/dbraw/zinc/80/14/96/583801496.db2.gz	KFGAKFQZZDDECK-UHFFFAOYSA-N	-2	3	340.365	-0.581	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cnc(Cl)n2C)n1	ZINC000822622913	583814608	/nfs/dbraw/zinc/81/46/08/583814608.db2.gz	JZQMUYFKRHPPOV-UHFFFAOYSA-N	-2	3	343.760	-0.212	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000822645745	583815578	/nfs/dbraw/zinc/81/55/78/583815578.db2.gz	MXCRJXOEOQCHHW-UHFFFAOYSA-N	-2	3	334.321	-0.886	20	0		EBADHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000822645745	583815581	/nfs/dbraw/zinc/81/55/81/583815581.db2.gz	MXCRJXOEOQCHHW-UHFFFAOYSA-N	-2	3	334.321	-0.886	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000822645830	583815649	/nfs/dbraw/zinc/81/56/49/583815649.db2.gz	RGSKMTUPMDZUGY-UHFFFAOYSA-N	-2	3	333.333	-0.281	20	0		EBADHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000822645830	583815651	/nfs/dbraw/zinc/81/56/51/583815651.db2.gz	RGSKMTUPMDZUGY-UHFFFAOYSA-N	-2	3	333.333	-0.281	20	0		EBADHL
C/C(=C\COC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000825765837	583866432	/nfs/dbraw/zinc/86/64/32/583866432.db2.gz	YVOZZHXAHZPVMS-XBXARRHUSA-N	-2	3	331.350	-0.419	20	0		EBADHL
CN(CC(=O)[O-])S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000825897992	583870422	/nfs/dbraw/zinc/87/04/22/583870422.db2.gz	UJFOEVSIVYHKBY-UHFFFAOYSA-N	-2	3	333.276	-0.150	20	0		EBADHL
CN(CC(=O)[O-])S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000825897992	583870423	/nfs/dbraw/zinc/87/04/23/583870423.db2.gz	UJFOEVSIVYHKBY-UHFFFAOYSA-N	-2	3	333.276	-0.150	20	0		EBADHL
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N	ZINC000826124412	583880705	/nfs/dbraw/zinc/88/07/05/583880705.db2.gz	BQWMNLZWTKBSAM-RITPCOANSA-N	-2	3	341.324	-0.297	20	0		EBADHL
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C(N)=O	ZINC000826233583	583889130	/nfs/dbraw/zinc/88/91/30/583889130.db2.gz	NCAUEQLYYLVGBD-UHFFFAOYSA-N	-2	3	348.348	-0.202	20	0		EBADHL
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1C(N)=O	ZINC000826233583	583889132	/nfs/dbraw/zinc/88/91/32/583889132.db2.gz	NCAUEQLYYLVGBD-UHFFFAOYSA-N	-2	3	348.348	-0.202	20	0		EBADHL
Cc1onc(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1-c1nnn[n-]1	ZINC000826344984	583892679	/nfs/dbraw/zinc/89/26/79/583892679.db2.gz	YSSFMILRYHSTGP-MRVPVSSYSA-N	-2	3	344.339	-0.375	20	0		EBADHL
Cc1onc(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1-c1nnn[n-]1	ZINC000826344984	583892680	/nfs/dbraw/zinc/89/26/80/583892680.db2.gz	YSSFMILRYHSTGP-MRVPVSSYSA-N	-2	3	344.339	-0.375	20	0		EBADHL
Cc1onc(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1-c1nn[n-]n1	ZINC000826344984	583892681	/nfs/dbraw/zinc/89/26/81/583892681.db2.gz	YSSFMILRYHSTGP-MRVPVSSYSA-N	-2	3	344.339	-0.375	20	0		EBADHL
Cc1onc(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1-c1nn[n-]n1	ZINC000826344984	583892682	/nfs/dbraw/zinc/89/26/82/583892682.db2.gz	YSSFMILRYHSTGP-MRVPVSSYSA-N	-2	3	344.339	-0.375	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)nc1Cl	ZINC000826362061	583894560	/nfs/dbraw/zinc/89/45/60/583894560.db2.gz	BMEHZMZWVOXRJA-UHFFFAOYSA-N	-2	3	329.733	-0.223	20	0		EBADHL
Cn1[n-]nnc1=N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O	ZINC000826367452	583895694	/nfs/dbraw/zinc/89/56/94/583895694.db2.gz	ZLZMNQPTJDPYRA-NSHDSACASA-N	-2	3	340.351	-0.580	20	0		EBADHL
Cn1[n-]nnc1=N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000826367452	583895696	/nfs/dbraw/zinc/89/56/96/583895696.db2.gz	ZLZMNQPTJDPYRA-NSHDSACASA-N	-2	3	340.351	-0.580	20	0		EBADHL
CCCN(C(=O)CN1CC(=O)[N-]C1=O)C1CCN(C(=O)[O-])CC1	ZINC000826862628	583911597	/nfs/dbraw/zinc/91/15/97/583911597.db2.gz	MKCKBMNEURVYSX-UHFFFAOYSA-N	-2	3	326.353	-0.081	20	0		EBADHL
CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O	ZINC000826956525	583912823	/nfs/dbraw/zinc/91/28/23/583912823.db2.gz	UIKUWQYPNRAGJM-ZETCQYMHSA-N	-2	3	330.318	-0.208	20	0		EBADHL
C[C@@H](CS(=O)(=O)[N-][C@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-]	ZINC000827553296	583923601	/nfs/dbraw/zinc/92/36/01/583923601.db2.gz	MIEZBPVFFPOFLH-UWVGGRQHSA-N	-2	3	344.393	-0.444	20	0		EBADHL
C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)NCC(=O)[O-]	ZINC000827811847	583928274	/nfs/dbraw/zinc/92/82/74/583928274.db2.gz	XEBQQVVZYIKSLK-CBAPKCEASA-N	-2	3	338.382	-0.917	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](NC(=O)[O-])C2)c(C)o1	ZINC000828579400	583943038	/nfs/dbraw/zinc/94/30/38/583943038.db2.gz	LQKCEIPESROPJC-QMMMGPOBSA-N	-2	3	331.350	-0.022	20	0		EBADHL
CC[C@](C)(CC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000828628942	583943598	/nfs/dbraw/zinc/94/35/98/583943598.db2.gz	WDDZHJCHSRUORO-CYBMUJFWSA-N	-2	3	346.409	-0.234	20	0		EBADHL
CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000829732173	583957751	/nfs/dbraw/zinc/95/77/51/583957751.db2.gz	UDYZAVKZQIKROA-HTQZYQBOSA-N	-2	3	330.366	-0.862	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@](F)(C(=O)[O-])C2)cn1C	ZINC000833002898	584002925	/nfs/dbraw/zinc/00/29/25/584002925.db2.gz	IKTXGZODGVSKJE-LBPRGKRZSA-N	-2	3	348.356	-0.968	20	0		EBADHL
Cc1oc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)cc1C(=O)[O-]	ZINC000833028662	584003076	/nfs/dbraw/zinc/00/30/76/584003076.db2.gz	YQDFCBZDTZCQCB-GFCCVEGCSA-N	-2	3	343.317	-0.741	20	0		EBADHL
Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])C2=O)n1	ZINC000833055953	584003670	/nfs/dbraw/zinc/00/36/70/584003670.db2.gz	SBCZQQXXNJXCBO-SNVBAGLBSA-N	-2	3	344.393	-0.300	20	0		EBADHL
NC(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)O1	ZINC000833080576	584004433	/nfs/dbraw/zinc/00/44/33/584004433.db2.gz	BKNDQRVUQNPTAX-JGVFFNPUSA-N	-2	3	334.375	-0.243	20	0		EBADHL
O=C([O-])CCNC(=O)CN1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000833236896	584007327	/nfs/dbraw/zinc/00/73/27/584007327.db2.gz	OWBBQVZCAKOBHH-UHFFFAOYSA-N	-2	3	335.360	-0.259	20	0		EBADHL
O=C([O-])CCNC(=O)CN1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000833236887	584007462	/nfs/dbraw/zinc/00/74/62/584007462.db2.gz	OOUBDFGOULLKSN-UHFFFAOYSA-N	-2	3	335.360	-0.259	20	0		EBADHL
CN1CCC(O)(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1	ZINC000833698495	584013925	/nfs/dbraw/zinc/01/39/25/584013925.db2.gz	PJDLLOBXJMMMNN-UHFFFAOYSA-N	-2	3	335.407	-0.424	20	0		EBADHL
O=C([O-])c1ccc(OC[C@H](O)CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1	ZINC000833783057	584016236	/nfs/dbraw/zinc/01/62/36/584016236.db2.gz	UKIJXSBECSCFEY-YPMHNXCESA-N	-2	3	349.343	-0.640	20	0		EBADHL
O=C([O-])N1CCO[C@@H](CC(=O)Nc2nc(SCCO)n[n-]2)C1	ZINC000833987159	584023180	/nfs/dbraw/zinc/02/31/80/584023180.db2.gz	HEJGUAGHLSTHHW-ZETCQYMHSA-N	-2	3	331.354	-0.404	20	0		EBADHL
O=C([O-])N1CCO[C@@H](CC(=O)Nc2n[n-]c(SCCO)n2)C1	ZINC000833987159	584023183	/nfs/dbraw/zinc/02/31/83/584023183.db2.gz	HEJGUAGHLSTHHW-ZETCQYMHSA-N	-2	3	331.354	-0.404	20	0		EBADHL
O=C([O-])[C@@H]1CC(=O)N(CC[N-]S(=O)(=O)c2c[nH]nc2Cl)C1	ZINC000837290052	584047639	/nfs/dbraw/zinc/04/76/39/584047639.db2.gz	MSKFHWOVFGKCLR-ZCFIWIBFSA-N	-2	3	336.757	-0.726	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000846494276	584126701	/nfs/dbraw/zinc/12/67/01/584126701.db2.gz	GTHQSOZSIRKVMA-OAHLLOKOSA-N	-2	3	334.332	-0.461	20	0		EBADHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)c1F	ZINC000846767942	584130951	/nfs/dbraw/zinc/13/09/51/584130951.db2.gz	RXPNNKNITNPQBI-ZDUSSCGKSA-N	-2	3	346.336	-0.245	20	0		EBADHL
NC(=O)[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CCOC1	ZINC000846772010	584131340	/nfs/dbraw/zinc/13/13/40/584131340.db2.gz	XZMGEMRLBDSAPT-GFCCVEGCSA-N	-2	3	332.309	-0.553	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)[N-]O[C@@H](CO)C(C)C)cn1C	ZINC000857287697	584276854	/nfs/dbraw/zinc/27/68/54/584276854.db2.gz	SAGSXSQSNADLER-JTQLQIEISA-N	-2	3	334.398	-0.928	20	0		EBADHL
O=C([O-])[C@H]1C[C@@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000739296153	600161132	/nfs/dbraw/zinc/16/11/32/600161132.db2.gz	CSKIJYIQWLTVFB-YUMQZZPRSA-N	-2	3	346.299	-0.184	20	0		EBADHL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000912557491	650208949	/nfs/dbraw/zinc/20/89/49/650208949.db2.gz	BKSXJEFFOPLDSB-ZCFIWIBFSA-N	-3	3	349.321	-0.899	20	0		EBADHL
O=C(NC[C@H]1CCN1C(=O)c1ncccc1[O-])c1cnc[n-]c1=O	ZINC000950699553	654225242	/nfs/dbraw/zinc/22/52/42/654225242.db2.gz	HAZUEZIEDKUVEE-SECBINFHSA-N	-2	3	329.316	-0.073	20	0		EBADHL
C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1NC(=O)c1ncccc1[O-]	ZINC000965940116	724544017	/nfs/dbraw/zinc/54/40/17/724544017.db2.gz	CDZLNOKNXFIYDQ-MNOVXSKESA-N	-2	3	346.391	-0.151	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)Cc2nc(=O)n(C)[n-]2)c1[O-]	ZINC000960554858	722838612	/nfs/dbraw/zinc/83/86/12/722838612.db2.gz	JEEFNZUIHHSLQE-SNVBAGLBSA-N	-2	3	349.395	-0.418	20	0		EBADHL
C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1Cc1nc(=O)n(C)[n-]1	ZINC000993250132	725865646	/nfs/dbraw/zinc/86/56/46/725865646.db2.gz	PNORCOISNLLYJK-MNOVXSKESA-N	-2	3	346.391	-0.008	20	0		EBADHL
Cn1[n-]c(CN2CCCC[C@H]2CNC(=O)c2ncccc2[O-])nc1=O	ZINC001024408054	729882648	/nfs/dbraw/zinc/88/26/48/729882648.db2.gz	WDXMVIWRQSHXSP-NSHDSACASA-N	-2	3	346.391	-0.007	20	0		EBADHL
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1	ZINC001027381040	730211048	/nfs/dbraw/zinc/21/10/48/730211048.db2.gz	QVTVNPIFMAMERR-LLVKDONJSA-N	-2	3	346.391	-0.054	20	0		EBADHL
CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033803820	731075015	/nfs/dbraw/zinc/07/50/15/731075015.db2.gz	LDEQWXBEZKNANQ-NSHDSACASA-N	-2	3	346.391	-0.054	20	0		EBADHL
O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cccc2n[n-]nc21	ZINC001038291892	731302832	/nfs/dbraw/zinc/30/28/32/731302832.db2.gz	DWQMMTHHINAFHS-MRVPVSSYSA-N	-2	3	328.336	-0.214	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CC[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1	ZINC001042108597	732319938	/nfs/dbraw/zinc/31/99/38/732319938.db2.gz	DYHXLHCMWPFNFH-KOLCDFICSA-N	-2	3	345.363	-0.258	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001046560989	733965578	/nfs/dbraw/zinc/96/55/78/733965578.db2.gz	CUBYBSIQDNOJBK-CQSZACIVSA-N	-2	3	333.352	-0.291	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001049544542	734750793	/nfs/dbraw/zinc/75/07/93/734750793.db2.gz	NZRIVTIWOWSSOA-WDEREUQCSA-N	-2	3	345.363	-0.115	20	0		EBADHL
C[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1Cc1nc(=O)n(C)[n-]1	ZINC001071454535	741139826	/nfs/dbraw/zinc/13/98/26/741139826.db2.gz	NJIFMFOFCGWATK-GHMZBOCLSA-N	-2	3	346.391	-0.008	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CC[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)c1[O-]	ZINC001075693601	742273727	/nfs/dbraw/zinc/27/37/27/742273727.db2.gz	RAMKANYCOKAGQX-VHSXEESVSA-N	-2	3	347.379	-0.808	20	0		EBADHL
Cc1[nH]nc(C(=O)N2C[C@H](CNCc3n[nH]c(=O)[n-]3)C[C@@H]2C)c1[O-]	ZINC000980511589	805919570	/nfs/dbraw/zinc/91/95/70/805919570.db2.gz	GUGNJZFJFLVCHM-CBAPKCEASA-N	-2	3	335.368	-0.112	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000982907242	806770677	/nfs/dbraw/zinc/77/06/77/806770677.db2.gz	KFYKJBQHVUMIBW-VIFPVBQESA-N	-2	3	346.347	-0.189	20	0		EBADHL
CN1[C@@H]2C[C@@H](Oc3[n-]c(=O)nc4c(=O)[n-]c(=O)[nH]c34)[C@H]1CC(=O)C2	ZINC001226887635	811889699	/nfs/dbraw/zinc/88/96/99/811889699.db2.gz	IBUVXZUEOWLHKP-UIISKDMLSA-N	-2	3	333.304	-0.280	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)CO)c(F)cc1Cl	ZINC001259221597	812808548	/nfs/dbraw/zinc/80/85/48/812808548.db2.gz	NFVMYTUXGWCJLB-RXMQYKEDSA-N	-2	3	327.717	-0.191	20	0		EBADHL
O=P([O-])([O-])CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260179024	812829530	/nfs/dbraw/zinc/82/95/30/812829530.db2.gz	ZFJSSRYTWGZROR-UHFFFAOYSA-N	-3	3	341.673	-0.766	20	0		EBADHL
COc1ccc(S(=O)(=O)Nc2c([O-])[nH]c(=O)[n-]c2=S)cc1F	ZINC001260665126	812845834	/nfs/dbraw/zinc/84/58/34/812845834.db2.gz	HBWRLBKRGLBMLX-MRVPVSSYSA-N	-2	3	347.349	-0.352	20	0		EBADHL
Cc1ncc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(=O)[n-]1	ZINC001192753326	834726986	/nfs/dbraw/zinc/72/69/86/834726986.db2.gz	IPFPWZNXWPJDLN-LLVKDONJSA-N	-2	3	339.329	-0.174	20	0		EBADHL
C[C@H]1[C@H](NS(=O)(=O)c2ccc([O-])cc2)C(=O)N1S(=O)(=O)[O-]	ZINC001195820628	835294776	/nfs/dbraw/zinc/29/47/76/835294776.db2.gz	LIIMESCQMHOOGW-RCOVLWMOSA-N	-2	3	336.347	-0.927	20	0		EBADHL
COCCn1cc(C(=O)NCCCCP(=O)([O-])[O-])cnc1=O	ZINC001197713172	835599958	/nfs/dbraw/zinc/59/99/58/835599958.db2.gz	XNMASQNYRQPVCW-UHFFFAOYSA-N	-2	3	333.281	-0.423	20	0		EBADHL
C[C@@H](CNC(=O)c1ncccc1[O-])Nc1nccnc1-c1nnn[n-]1	ZINC001575067603	951616159	/nfs/dbraw/zinc/61/61/59/951616159.db2.gz	MWBFQLZVRFPXSH-QMMMGPOBSA-N	-2	3	341.335	-0.012	20	0		EBADHL
C[C@@H](CNC(=O)c1ncccc1[O-])Nc1nccnc1-c1nn[n-]n1	ZINC001575067603	951616168	/nfs/dbraw/zinc/61/61/68/951616168.db2.gz	MWBFQLZVRFPXSH-QMMMGPOBSA-N	-2	3	341.335	-0.012	20	0		EBADHL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-][C@H]1CN(c2ccccc2)C1=O	ZINC001595168981	952217235	/nfs/dbraw/zinc/21/72/35/952217235.db2.gz	HQHAKGVXNFDATN-RYUDHWBXSA-N	-2	3	339.373	-0.215	20	0		EBADHL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1ncn[nH]1	ZINC001594888370	954484567	/nfs/dbraw/zinc/48/45/67/954484567.db2.gz	CCOVJRZSPDPWOQ-MUWHJKNJSA-N	-2	3	349.269	-0.530	20	0		EBADHL
Cc1nc(C)c(CCC(=O)NCCn2cc(C(=O)[O-])nn2)c(=O)[n-]1	ZINC000391723877	972361068	/nfs/dbraw/zinc/36/10/68/972361068.db2.gz	QLEROPWTUQIOQU-UHFFFAOYSA-N	-2	3	334.336	-0.162	20	0		EBADHL
C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134680737	958850223	/nfs/dbraw/zinc/85/02/23/958850223.db2.gz	FVELOUPRXQPLEV-MRVPVSSYSA-N	-2	3	335.407	-0.160	20	0		EBADHL
C[C@@](O)(C[N-]S(=O)(=O)c1cccc(Br)n1)C(=O)[O-]	ZINC001573636283	959594766	/nfs/dbraw/zinc/59/47/66/959594766.db2.gz	QQONJODLMVSPBY-SECBINFHSA-N	-2	3	339.167	-0.042	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)CC2)n1	ZINC001594269485	959785801	/nfs/dbraw/zinc/78/58/01/959785801.db2.gz	QBUBDGFZBCIYQL-SNVBAGLBSA-N	-2	3	335.320	-0.631	20	0		EBADHL
COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC001571190936	962250569	/nfs/dbraw/zinc/25/05/69/962250569.db2.gz	PECUKKNDQCVYOB-NSHDSACASA-N	-2	3	330.362	-0.050	20	0		EBADHL
O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21	ZINC001571200969	962362561	/nfs/dbraw/zinc/36/25/61/962362561.db2.gz	RBKGFKVONSCXDM-DLGSQSEFSA-N	-2	3	332.316	-0.911	20	0		EBADHL
O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21	ZINC001571200971	962364540	/nfs/dbraw/zinc/36/45/40/962364540.db2.gz	RBKGFKVONSCXDM-HUBMKLMBSA-N	-2	3	332.316	-0.911	20	0		EBADHL
COC(=O)[C@@]1([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCSC1	ZINC001571223681	962564126	/nfs/dbraw/zinc/56/41/26/962564126.db2.gz	KKDWULQIRKNPQM-SNVBAGLBSA-N	-2	3	335.363	-0.565	20	0		EBADHL
O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1	ZINC001605814055	972532601	/nfs/dbraw/zinc/53/26/01/972532601.db2.gz	XHFNJLNCTUGWOG-RXMQYKEDSA-N	-2	3	335.242	-0.627	20	0		EBADHL
C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1nc(C(F)(F)F)n[n-]1	ZINC001593049609	980337966	/nfs/dbraw/zinc/33/79/66/980337966.db2.gz	FJSSIPXUFWQNNW-SCSAIBSYSA-N	-2	3	333.230	-0.009	20	0		EBADHL
C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c1	ZINC001588661722	983787635	/nfs/dbraw/zinc/78/76/35/983787635.db2.gz	OXBIMXATOOHBSW-LLVKDONJSA-N	-2	3	345.315	-0.009	20	0		EBADHL
C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)[O-]	ZINC001599896498	984759230	/nfs/dbraw/zinc/75/92/30/984759230.db2.gz	WQBVAWVVVNARCJ-IUCAKERBSA-N	-2	3	337.332	-0.784	20	0		EBADHL
CC(C)C[C@H](NC(=O)C[N-]S(=O)(=O)Cc1ccno1)C(=O)[O-]	ZINC001591462473	992573208	/nfs/dbraw/zinc/57/32/08/992573208.db2.gz	LIMNAIYFAJHYEK-JTQLQIEISA-N	-2	3	333.366	-0.291	20	0		EBADHL
COC(=O)C[C@]1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCOC1	ZINC001598843715	996546473	/nfs/dbraw/zinc/54/64/73/996546473.db2.gz	KSHCFYHYSKKVNN-GFCCVEGCSA-N	-2	3	347.349	-0.583	20	0		EBADHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC	ZINC001598857252	996648053	/nfs/dbraw/zinc/64/80/53/996648053.db2.gz	BGWKAOCDOCTQDL-SSDOTTSWSA-N	-2	3	349.317	-0.249	20	0		EBADHL
COCCNC(=O)C1([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CC1	ZINC001599242551	998071615	/nfs/dbraw/zinc/07/16/15/998071615.db2.gz	TYIWTCFOAOILAU-UHFFFAOYSA-N	-2	3	346.361	-0.140	20	0		EBADHL
COC(=O)c1nscc1S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)[O-]	ZINC001599017030	998947095	/nfs/dbraw/zinc/94/70/95/998947095.db2.gz	DNBYBEYLNVDTKY-ZETCQYMHSA-N	-2	3	338.363	-0.568	20	0		EBADHL
Cn1[n-]c(CN2CC[C@H](CCNC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001481427017	1125986664	/nfs/dbraw/zinc/98/66/64/1125986664.db2.gz	FQDMNDFINXXXAZ-NSHDSACASA-N	-2	3	346.391	-0.149	20	0		EBADHL
Cc1nc(C)c(CC(=O)NC[C@@H](C)N(C)Cc2n[nH]c(=O)[n-]2)c(=O)[n-]1	ZINC001485384114	1126695319	/nfs/dbraw/zinc/69/53/19/1126695319.db2.gz	RCFHMLULPKMSHT-MRVPVSSYSA-N	-2	3	349.395	-0.198	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CCN(C(=O)CCCc3nnn[n-]3)CC2)n1	ZINC001364866108	1132459533	/nfs/dbraw/zinc/45/95/33/1132459533.db2.gz	YMLCHGRASLKWCT-UHFFFAOYSA-N	-2	3	332.368	-0.325	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-]	ZINC000262356240	299331231	/nfs/dbraw/zinc/33/12/31/299331231.db2.gz	JILQFYLPRPZENI-QMMMGPOBSA-N	-2	3	336.391	-0.312	20	0		EBADHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000044243079	376108556	/nfs/dbraw/zinc/10/85/56/376108556.db2.gz	PVZIMBRXBYOKDT-QMMMGPOBSA-N	-2	3	339.167	-0.042	20	0		EBADHL
C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C[C@@H]1C(=O)[O-]	ZINC000564976820	376692112	/nfs/dbraw/zinc/69/21/12/376692112.db2.gz	BLQQWJUDEBBOJC-ZJUUUORDSA-N	-2	3	344.393	-0.732	20	0		EBADHL
C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C[C@H]1C(=O)[O-]	ZINC000564976815	376693164	/nfs/dbraw/zinc/69/31/64/376693164.db2.gz	BLQQWJUDEBBOJC-NXEZZACHSA-N	-2	3	344.393	-0.732	20	0		EBADHL
Cc1oc(S(=O)(=O)[N-][C@@H](C)CS(C)(=O)=O)cc1C(=O)[O-]	ZINC000563073352	377616173	/nfs/dbraw/zinc/61/61/73/377616173.db2.gz	SSTTXUDWVIXHBT-LURJTMIESA-N	-2	3	325.364	-0.002	20	0		EBADHL
COCc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)n[n-]1	ZINC000594828704	377962117	/nfs/dbraw/zinc/96/21/17/377962117.db2.gz	VJKMWNJHZUSUTH-UHFFFAOYSA-N	-2	3	330.322	-0.191	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2n[n-]c(=O)o2)cn1	ZINC000622117270	379417564	/nfs/dbraw/zinc/41/75/64/379417564.db2.gz	YUHUJCBFNUVOLI-UHFFFAOYSA-N	-2	3	327.322	-0.650	20	0		EBADHL
C[C@@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C(=O)[O-]	ZINC000274908229	379721649	/nfs/dbraw/zinc/72/16/49/379721649.db2.gz	JTPRTWNZAKNFGV-LURJTMIESA-N	-2	3	342.333	-0.967	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-][C@H](Cc2c[nH]cn2)C(=O)[O-])nc1Cl	ZINC000274941529	379725813	/nfs/dbraw/zinc/72/58/13/379725813.db2.gz	QZLAHISRMDOOPP-SSDOTTSWSA-N	-2	3	333.757	-0.229	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-][C@H](Cc2cnc[nH]2)C(=O)[O-])nc1Cl	ZINC000274941529	379725819	/nfs/dbraw/zinc/72/58/19/379725819.db2.gz	QZLAHISRMDOOPP-SSDOTTSWSA-N	-2	3	333.757	-0.229	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])c(C)o1	ZINC000614327630	379922304	/nfs/dbraw/zinc/92/23/04/379922304.db2.gz	NEMBMMVPGCTGFT-SSDOTTSWSA-N	-3	3	349.317	-0.029	20	0		EBADHL
COC(=O)c1nscc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1	ZINC000619708969	379928439	/nfs/dbraw/zinc/92/84/39/379928439.db2.gz	HBEUEBAWZDIYKK-JTQLQIEISA-N	-2	3	336.347	-0.548	20	0		EBADHL
C[C@]1(c2cccc(C(=O)NCCOCC(=O)[O-])c2)NC(=O)[N-]C1=O	ZINC000630262715	380023721	/nfs/dbraw/zinc/02/37/21/380023721.db2.gz	PDZMAZHUCNZUOW-OAHLLOKOSA-N	-2	3	335.316	-0.428	20	0		EBADHL
N#Cc1ccc(F)c(CS(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1	ZINC000547545966	380142328	/nfs/dbraw/zinc/14/23/28/380142328.db2.gz	VPCOKTIMXISQEL-UHFFFAOYSA-N	-2	3	329.309	-0.682	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-]	ZINC000548210988	380190092	/nfs/dbraw/zinc/19/00/92/380190092.db2.gz	APWGRBRYGMOVNR-QMMMGPOBSA-N	-2	3	335.309	-0.010	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1	ZINC000564329520	380160637	/nfs/dbraw/zinc/16/06/37/380160637.db2.gz	WDFFTICCFMXELK-SNVBAGLBSA-N	-2	3	327.362	-0.074	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)[O-]	ZINC000548554683	380214670	/nfs/dbraw/zinc/21/46/70/380214670.db2.gz	KTJHOVKBQZCBPZ-SNVBAGLBSA-N	-2	3	335.309	-0.010	20	0		EBADHL
O=C([O-])c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1	ZINC000566227506	380456558	/nfs/dbraw/zinc/45/65/58/380456558.db2.gz	YDZQRDIBENAJTN-JTQLQIEISA-N	-2	3	346.299	-0.914	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)c1	ZINC000574633606	380719207	/nfs/dbraw/zinc/71/92/07/380719207.db2.gz	YGOOEUPGIHSJJI-WCQYABFASA-N	-2	3	339.373	-0.245	20	0		EBADHL
CCOCCS(=O)(=O)[N-]Cc1nc(-c2cc(=O)[n-]cn2)no1	ZINC000351366088	380921057	/nfs/dbraw/zinc/92/10/57/380921057.db2.gz	GERUWRQGRMOKDV-UHFFFAOYSA-N	-2	3	329.338	-0.312	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)C[C@H](C)C(=O)[O-])cn1C	ZINC000579717680	381009817	/nfs/dbraw/zinc/00/98/17/381009817.db2.gz	GMLGFHPBXNFVQS-QMMMGPOBSA-N	-2	3	332.382	-0.814	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3nnn[n-]3)CC2)c(C)o1	ZINC000348274804	381352613	/nfs/dbraw/zinc/35/26/13/381352613.db2.gz	JOMRWIMGYCDMSZ-UHFFFAOYSA-N	-2	3	326.338	-0.572	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CC2)c(C)o1	ZINC000348274804	381352619	/nfs/dbraw/zinc/35/26/19/381352619.db2.gz	JOMRWIMGYCDMSZ-UHFFFAOYSA-N	-2	3	326.338	-0.572	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c(C)o1	ZINC000352473884	381989467	/nfs/dbraw/zinc/98/94/67/381989467.db2.gz	YZVUEIATFWPDBL-SSDOTTSWSA-N	-2	3	342.381	-0.115	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(C)o1	ZINC000352473884	381989476	/nfs/dbraw/zinc/98/94/76/381989476.db2.gz	YZVUEIATFWPDBL-SSDOTTSWSA-N	-2	3	342.381	-0.115	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)oc1C	ZINC000376739576	292005065	/nfs/dbraw/zinc/00/50/65/292005065.db2.gz	JYHCIPZXKYXXMT-LBPRGKRZSA-N	-2	3	333.318	-0.103	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000316810277	155175028	/nfs/dbraw/zinc/17/50/28/155175028.db2.gz	SYNLBMFTLZHPKU-NSHDSACASA-N	-2	3	328.346	-0.016	20	0		EBADHL
CN(CC(=O)[O-])S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1	ZINC000261866202	154203114	/nfs/dbraw/zinc/20/31/14/154203114.db2.gz	NWYYMVMBIIELKM-UHFFFAOYSA-N	-2	3	348.402	-0.168	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000262080358	154211990	/nfs/dbraw/zinc/21/19/90/154211990.db2.gz	AVPAVKAXVTYYGF-GMSGAONNSA-N	-2	3	345.377	-0.062	20	0		EBADHL
CCCC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000262249540	154220246	/nfs/dbraw/zinc/22/02/46/154220246.db2.gz	DAWSISGFIJESML-VIFPVBQESA-N	-2	3	332.382	-0.542	20	0		EBADHL
CC(C)C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000262615502	154239521	/nfs/dbraw/zinc/23/95/21/154239521.db2.gz	BNJTYRWHUJJSMG-SECBINFHSA-N	-2	3	332.382	-0.686	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c(C)o1	ZINC000262834639	154249331	/nfs/dbraw/zinc/24/93/31/154249331.db2.gz	YHPQLFBLMQUQHK-SECBINFHSA-N	-2	3	346.361	-0.188	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C)CC(=O)[O-]	ZINC000262991207	154251446	/nfs/dbraw/zinc/25/14/46/154251446.db2.gz	OIWCXWOTAKIALA-POYBYMJQSA-N	-2	3	333.366	-0.062	20	0		EBADHL
CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000262966292	154251654	/nfs/dbraw/zinc/25/16/54/154251654.db2.gz	KYZVMFFWIORTNF-UHFFFAOYSA-N	-2	3	348.381	-0.749	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(COC)C(=O)[O-])c(C)o1	ZINC000263014860	154252807	/nfs/dbraw/zinc/25/28/07/154252807.db2.gz	XFEJHZAHLQBWGS-LBPRGKRZSA-N	-2	3	334.350	-0.284	20	0		EBADHL
CO[C@H](CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000263137971	154254417	/nfs/dbraw/zinc/25/44/17/154254417.db2.gz	UQAMGLNRGGIQGG-MEBBXXQBSA-N	-2	3	335.316	-0.429	20	0		EBADHL
C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000263292456	154257516	/nfs/dbraw/zinc/25/75/16/154257516.db2.gz	YYGTUDODMWHMCG-UWVGGRQHSA-N	-2	3	344.393	-0.590	20	0		EBADHL
COC(=O)CC[C@H]([N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275324515	154648598	/nfs/dbraw/zinc/64/85/98/154648598.db2.gz	SRTBMSSZWYQJFA-QMMMGPOBSA-N	-2	3	343.317	-0.093	20	0		EBADHL
COC(=O)c1sccc1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1	ZINC000279337851	154744752	/nfs/dbraw/zinc/74/47/52/154744752.db2.gz	IALCZUNSWFJYNT-UHFFFAOYSA-N	-2	3	333.347	-0.268	20	0		EBADHL
COC(=O)c1csc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c1	ZINC000290061169	154998010	/nfs/dbraw/zinc/99/80/10/154998010.db2.gz	FEPWWBSKJSUQQS-UHFFFAOYSA-N	-2	3	333.347	-0.268	20	0		EBADHL
COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)OC	ZINC000291806731	155025630	/nfs/dbraw/zinc/02/56/30/155025630.db2.gz	BEOZBDHQGPIMBP-VIFPVBQESA-N	-2	3	335.309	-0.010	20	0		EBADHL
CCOC(=O)C(C)(C)O[N-]C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000295443878	155069656	/nfs/dbraw/zinc/06/96/56/155069656.db2.gz	AGZCWZLNTISIOC-UHFFFAOYSA-N	-2	3	348.381	-0.912	20	0		EBADHL
O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1cn2c(n1)CCCC2	ZINC000373230045	157642318	/nfs/dbraw/zinc/64/23/18/157642318.db2.gz	PQMDBHINUOSXRG-UHFFFAOYSA-N	-2	3	330.366	-0.911	20	0		EBADHL
CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC000663443430	419052722	/nfs/dbraw/zinc/05/27/22/419052722.db2.gz	DLPADQPGFYQXFQ-UHFFFAOYSA-N	-2	3	337.379	-0.647	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cn1C	ZINC000647250977	419053113	/nfs/dbraw/zinc/05/31/13/419053113.db2.gz	QZHDZJGLDMPQRJ-PSASIEDQSA-N	-2	3	344.393	-0.814	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)cn1	ZINC000282894520	419329628	/nfs/dbraw/zinc/32/96/28/419329628.db2.gz	QVZFVQXUWBJOCP-UHFFFAOYSA-N	-2	3	334.375	-0.229	20	0		EBADHL
COc1nc([N-]C(=O)c2nc3ncc(Br)cn3n2)n[n-]1	ZINC000352637005	420572816	/nfs/dbraw/zinc/57/28/16/420572816.db2.gz	LCRFYJACTQIFKD-UHFFFAOYSA-N	-2	3	339.113	0.266	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)cn1	ZINC000530372275	420783395	/nfs/dbraw/zinc/78/33/95/420783395.db2.gz	GZTVFMBYIYCAPP-JTQLQIEISA-N	-2	3	334.375	-0.373	20	0		EBADHL
O=C([O-])[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CCO1	ZINC000387141315	420820934	/nfs/dbraw/zinc/82/09/34/420820934.db2.gz	MGDGNMVQQCLPDB-SECBINFHSA-N	-2	3	348.402	-0.272	20	0		EBADHL
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3ccccc3[O-])CC2)N1	ZINC000656870377	420902433	/nfs/dbraw/zinc/90/24/33/420902433.db2.gz	LSBCJWUDIMHYTN-UHFFFAOYSA-N	-2	3	325.346	-0.245	20	0		EBADHL
Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C2	ZINC000656181298	420882881	/nfs/dbraw/zinc/88/28/81/420882881.db2.gz	WHQYSCFSIYBHHY-QMMMGPOBSA-N	-2	3	326.334	-0.058	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@](C)(OC)C(=O)[O-])s1	ZINC000663061552	421124349	/nfs/dbraw/zinc/12/43/49/421124349.db2.gz	BTPJOAMJGPWSJI-LLVKDONJSA-N	-2	3	336.391	-0.238	20	0		EBADHL
O=C([O-])[C@]1(NC(=O)C[N-]S(=O)(=O)c2ccccc2F)CCOC1	ZINC000663132555	421126107	/nfs/dbraw/zinc/12/61/07/421126107.db2.gz	LCRBYQUYARHGHL-ZDUSSCGKSA-N	-2	3	346.336	-0.536	20	0		EBADHL
COc1ccc([O-])c(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1	ZINC000424240353	265053736	/nfs/dbraw/zinc/05/37/36/265053736.db2.gz	KMGOKWLGURSVHT-NSHDSACASA-N	-2	3	329.330	-0.275	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)co1	ZINC000427148471	265103734	/nfs/dbraw/zinc/10/37/34/265103734.db2.gz	XHHMVDDUCUXIRY-UHFFFAOYSA-N	-2	3	328.306	-0.050	20	0		EBADHL
CC[C@@H](C)N(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000442746356	265326946	/nfs/dbraw/zinc/32/69/46/265326946.db2.gz	RPOMWGBFLJLRQX-SECBINFHSA-N	-2	3	346.409	-0.281	20	0		EBADHL
CN(CCC(=O)[O-])C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000262912443	289582186	/nfs/dbraw/zinc/58/21/86/289582186.db2.gz	SPDVATSNOOZYQH-UHFFFAOYSA-N	-2	3	334.126	-0.356	20	0		EBADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1	ZINC000374442751	295561425	/nfs/dbraw/zinc/56/14/25/295561425.db2.gz	LKOBJFKDNOFZQA-LBPRGKRZSA-N	-2	3	349.386	-0.388	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(-c2nnn[n-]2)cn1	ZINC000737982828	582575778	/nfs/dbraw/zinc/57/57/78/582575778.db2.gz	RNWNJECMOAQFQZ-UHFFFAOYSA-N	-2	3	338.291	-0.715	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(-c2nn[n-]n2)cn1	ZINC000737982828	582575779	/nfs/dbraw/zinc/57/57/79/582575779.db2.gz	RNWNJECMOAQFQZ-UHFFFAOYSA-N	-2	3	338.291	-0.715	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000727851074	582661447	/nfs/dbraw/zinc/66/14/47/582661447.db2.gz	FSXHMUAGLJKTCU-GFCCVEGCSA-N	-2	3	341.331	-0.654	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H](c1nn[n-]n1)c1ccccc1	ZINC000727851074	582661449	/nfs/dbraw/zinc/66/14/49/582661449.db2.gz	FSXHMUAGLJKTCU-GFCCVEGCSA-N	-2	3	341.331	-0.654	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(-c2nnn[n-]2)c1	ZINC000737861706	583029250	/nfs/dbraw/zinc/02/92/50/583029250.db2.gz	IKLREKGMPOLWKI-UHFFFAOYSA-N	-2	3	327.304	-0.255	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(-c2nn[n-]n2)c1	ZINC000737861706	583029253	/nfs/dbraw/zinc/02/92/53/583029253.db2.gz	IKLREKGMPOLWKI-UHFFFAOYSA-N	-2	3	327.304	-0.255	20	0		EBADHL
O=C(NCc1nnn[n-]1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1	ZINC000738123670	583043093	/nfs/dbraw/zinc/04/30/93/583043093.db2.gz	YHPVJXMFSUYREQ-UHFFFAOYSA-N	-2	3	348.714	-0.712	20	0		EBADHL
O=C(CN1CCCCC1=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1	ZINC000838913953	583058693	/nfs/dbraw/zinc/05/86/93/583058693.db2.gz	XYZRPWZWGFWHKP-UHFFFAOYSA-N	-2	3	337.361	-0.225	20	0		EBADHL
Cn1cc([C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)C(=O)[O-])cn1	ZINC000776496168	583404914	/nfs/dbraw/zinc/40/49/14/583404914.db2.gz	RTTHUTGDISEHED-ZETCQYMHSA-N	-2	3	333.757	-0.089	20	0		EBADHL
COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000776594750	583406765	/nfs/dbraw/zinc/40/67/65/583406765.db2.gz	CMEYNMWHCWDGCB-YUSALJHKSA-N	-2	3	345.373	-0.098	20	0		EBADHL
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cnn(CC3CC3)c2)nn1	ZINC000777906271	583416020	/nfs/dbraw/zinc/41/60/20/583416020.db2.gz	FVGRBJUQQBHSCE-UHFFFAOYSA-N	-2	3	340.365	-0.552	20	0		EBADHL
COC(=O)CCCO[N-]C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000811560237	583692167	/nfs/dbraw/zinc/69/21/67/583692167.db2.gz	YQXXVVCEGUPJJB-UHFFFAOYSA-N	-2	3	348.381	-0.992	20	0		EBADHL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1c[n-]nc1-c1ccccn1	ZINC000813534565	583699663	/nfs/dbraw/zinc/69/96/63/583699663.db2.gz	ZVEZPQBRERHWOQ-UHFFFAOYSA-N	-2	3	337.361	-0.333	20	0		EBADHL
CCN(C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nnn[n-]2)c1	ZINC000821165617	583786231	/nfs/dbraw/zinc/78/62/31/583786231.db2.gz	VOYPZNZPVCDNGL-UHFFFAOYSA-N	-2	3	340.365	-0.442	20	0		EBADHL
CCN(C)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[n-]n2)c1	ZINC000821165617	583786232	/nfs/dbraw/zinc/78/62/32/583786232.db2.gz	VOYPZNZPVCDNGL-UHFFFAOYSA-N	-2	3	340.365	-0.442	20	0		EBADHL
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1	ZINC000822509856	583811721	/nfs/dbraw/zinc/81/17/21/583811721.db2.gz	FGEQYMAFRZUBOM-ZCFIWIBFSA-N	-2	3	336.337	-0.007	20	0		EBADHL
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1	ZINC000822509856	583811724	/nfs/dbraw/zinc/81/17/24/583811724.db2.gz	FGEQYMAFRZUBOM-ZCFIWIBFSA-N	-2	3	336.337	-0.007	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000822987067	583822182	/nfs/dbraw/zinc/82/21/82/583822182.db2.gz	PVRRAHMTNGKSOZ-UHFFFAOYSA-N	-2	3	343.303	-0.549	20	0		EBADHL
C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C(=O)O1	ZINC000824894300	583851904	/nfs/dbraw/zinc/85/19/04/583851904.db2.gz	XQZOKJGWIOSXLZ-KWQFWETISA-N	-2	3	337.361	-0.010	20	0		EBADHL
C[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)[C@@H]1CNC(=O)[O-]	ZINC000825905402	583870659	/nfs/dbraw/zinc/87/06/59/583870659.db2.gz	LUPOHPKJMJYUBF-KXUCPTDWSA-N	-2	3	326.353	-0.131	20	0		EBADHL
CC(C)(C)C(=O)Cn1cc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)nn1	ZINC000826130676	583881492	/nfs/dbraw/zinc/88/14/92/583881492.db2.gz	OFGVZDZQKHOAIY-UHFFFAOYSA-N	-2	3	335.324	-0.109	20	0		EBADHL
C[C@@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2cnn(C)c2)C1=O)C(=O)[O-]	ZINC000827553882	583923547	/nfs/dbraw/zinc/92/35/47/583923547.db2.gz	RDSXLQWYGDOWAU-GXSJLCMTSA-N	-2	3	344.393	-0.444	20	0		EBADHL
CCn1nc(C)c(C[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1	ZINC000829707289	583957364	/nfs/dbraw/zinc/95/73/64/583957364.db2.gz	YBLZANQPZIKILE-UHFFFAOYSA-N	-2	3	328.354	-0.634	20	0		EBADHL
O=C([O-])C[C@@]1([N-]S(=O)(=O)c2cnn3c2OCCC3)CCCOC1	ZINC000830098576	583963870	/nfs/dbraw/zinc/96/38/70/583963870.db2.gz	SMIPVJMBCNGHMT-ZDUSSCGKSA-N	-2	3	345.377	-0.032	20	0		EBADHL
COC(=O)[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CCOC1	ZINC000831094230	583976214	/nfs/dbraw/zinc/97/62/14/583976214.db2.gz	PAEGTDJLVPMEQO-GFCCVEGCSA-N	-2	3	333.318	-0.103	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)OC)oc1C	ZINC000831343181	583981909	/nfs/dbraw/zinc/98/19/09/583981909.db2.gz	DJVMYSFCDCSQAX-MRVPVSSYSA-N	-2	3	349.317	-0.331	20	0		EBADHL
O=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)[N-]C(=O)c1cccs1	ZINC000831497258	583983936	/nfs/dbraw/zinc/98/39/36/583983936.db2.gz	ARGSTDMQZWVOSG-MRVPVSSYSA-N	-2	3	342.329	-0.074	20	0		EBADHL
O=C([O-])NCCCOC1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1	ZINC000832625884	583999911	/nfs/dbraw/zinc/99/99/11/583999911.db2.gz	YVHSZUMDFHLCDN-UHFFFAOYSA-N	-2	3	342.352	-0.797	20	0		EBADHL
Cn1cc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)c(=O)[n-]c1=O	ZINC000833041469	584003333	/nfs/dbraw/zinc/00/33/33/584003333.db2.gz	MBUFDGZVLQTRMD-UHFFFAOYSA-N	-2	3	332.316	-0.002	20	0		EBADHL
NC(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)O1	ZINC000833082638	584004819	/nfs/dbraw/zinc/00/48/19/584004819.db2.gz	PJMNOZSXGHTRLZ-WCBMZHEXSA-N	-2	3	346.336	-0.165	20	0		EBADHL
NC(=O)c1cc(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)on1	ZINC000833084762	584005145	/nfs/dbraw/zinc/00/51/45/584005145.db2.gz	NTVKCIMXSWMVEQ-UHFFFAOYSA-N	-2	3	325.302	-0.050	20	0		EBADHL
O=C([O-])CNC(=O)CCN1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000833250262	584007510	/nfs/dbraw/zinc/00/75/10/584007510.db2.gz	CUEHWHYSMCRKLP-UHFFFAOYSA-N	-2	3	335.360	-0.259	20	0		EBADHL
CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1=O	ZINC000833501301	584011173	/nfs/dbraw/zinc/01/11/73/584011173.db2.gz	UQTNDCHBWLRSAC-LURJTMIESA-N	-2	3	347.374	-0.345	20	0		EBADHL
COCCN1CCC[C@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1	ZINC000833724238	584015557	/nfs/dbraw/zinc/01/55/57/584015557.db2.gz	JRRYXEKVIUWHNA-JTQLQIEISA-N	-2	3	346.409	-0.195	20	0		EBADHL
Cn1cc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c(=O)[n-]c1=O	ZINC000833945358	584020293	/nfs/dbraw/zinc/02/02/93/584020293.db2.gz	PPHAFJNVGHTPDA-ATZCPNFKSA-N	-2	3	336.348	-0.006	20	0		EBADHL
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000834042699	584025296	/nfs/dbraw/zinc/02/52/96/584025296.db2.gz	XMZVXBUPLPRLNC-VXGBXAGGSA-N	-2	3	337.332	-0.649	20	0		EBADHL
O=C([O-])NCCCCCCC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000834240919	584029906	/nfs/dbraw/zinc/02/99/06/584029906.db2.gz	NECRSUGOTAOJIP-JTQLQIEISA-N	-2	3	326.353	-0.033	20	0		EBADHL
O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CC1	ZINC000834291427	584030885	/nfs/dbraw/zinc/03/08/85/584030885.db2.gz	YUWMUESCUWBDIL-UWVGGRQHSA-N	-2	3	336.348	-0.471	20	0		EBADHL
CCn1c(=O)c2ccc(C(=O)NN3CC(=O)[N-]C3=O)cc2[n-]c1=S	ZINC000843386320	584077342	/nfs/dbraw/zinc/07/73/42/584077342.db2.gz	FRLJOJLDGDXMCX-UHFFFAOYSA-N	-2	3	347.356	-0.098	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1	ZINC000846497966	584127317	/nfs/dbraw/zinc/12/73/17/584127317.db2.gz	ZHFCYPFFAPJVIQ-QMMMGPOBSA-N	-2	3	335.407	-0.401	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1	ZINC000846497964	584127417	/nfs/dbraw/zinc/12/74/17/584127417.db2.gz	ZHFCYPFFAPJVIQ-MRVPVSSYSA-N	-2	3	335.407	-0.401	20	0		EBADHL
CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c1	ZINC000849222386	584166880	/nfs/dbraw/zinc/16/68/80/584166880.db2.gz	VXSYCJQFHBWFCG-SECBINFHSA-N	-2	3	335.309	-0.274	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)cn1	ZINC000853068841	584223011	/nfs/dbraw/zinc/22/30/11/584223011.db2.gz	GMUWXZXPBWGTAZ-SECBINFHSA-N	-2	3	346.386	-0.063	20	0		EBADHL
O=C([N-]n1c(=O)[n-][nH]c1=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F	ZINC000854612746	584244698	/nfs/dbraw/zinc/24/46/98/584244698.db2.gz	PWLUTPVASOVFNJ-NTSWFWBYSA-N	-2	3	326.231	-0.257	20	0		EBADHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1	ZINC000055617338	649958423	/nfs/dbraw/zinc/95/84/23/649958423.db2.gz	WMYCCFCUDUZOJY-MRVPVSSYSA-N	-2	3	335.407	-0.310	20	0		EBADHL
C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@H]1NC(=O)c1ncccc1[O-]	ZINC000941988858	653014302	/nfs/dbraw/zinc/01/43/02/653014302.db2.gz	INLYSOLUGTTXIP-WDEREUQCSA-N	-2	3	346.391	-0.151	20	0		EBADHL
Cc1[nH]nc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C(C)(C)C2)c1[O-]	ZINC000995679245	726286553	/nfs/dbraw/zinc/28/65/53/726286553.db2.gz	LNQIUGFFNWGCSR-QMMMGPOBSA-N	-2	3	335.368	-0.112	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CC(NC(=O)c3c(C)nc[n-]c3=O)C2)c1[O-]	ZINC000998025953	726473241	/nfs/dbraw/zinc/47/32/41/726473241.db2.gz	OBLLHPHNPYFVJG-UHFFFAOYSA-N	-2	3	332.320	-0.518	20	0		EBADHL
Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3c(C)nc[n-]c3=O)C2)c1[O-]	ZINC001001451436	726606707	/nfs/dbraw/zinc/60/67/07/726606707.db2.gz	JGLFAWRMECMVSX-UHFFFAOYSA-N	-2	3	346.347	-0.270	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CCC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)c1[O-]	ZINC001023938203	729817904	/nfs/dbraw/zinc/81/79/04/729817904.db2.gz	RRVOYOOWHNWNQQ-VIFPVBQESA-N	-2	3	335.368	-0.111	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CCC[C@@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)c1[O-]	ZINC001027371106	730210126	/nfs/dbraw/zinc/21/01/26/730210126.db2.gz	VZRNUDPDVLXPBM-SNVBAGLBSA-N	-2	3	349.395	-0.418	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001029435867	730405294	/nfs/dbraw/zinc/40/52/94/730405294.db2.gz	GVDIOPPYRVIJOS-AOOOYVTPSA-N	-2	3	345.363	-0.197	20	0		EBADHL
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033807684	731075041	/nfs/dbraw/zinc/07/50/41/731075041.db2.gz	WWWFLWZBFOSHQI-JTQLQIEISA-N	-2	3	349.395	-0.418	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)c1[O-]	ZINC000980982109	806052507	/nfs/dbraw/zinc/05/25/07/806052507.db2.gz	WZFMUPHUEORNPA-UHFFFAOYSA-N	-2	3	335.368	-0.806	20	0		EBADHL
O=C(NCC1CN(C(=O)c2ncccc2[O-])C1)c1cnc[n-]c1=O	ZINC001002718606	809769620	/nfs/dbraw/zinc/76/96/20/809769620.db2.gz	JKBUQZMTGAJDNP-UHFFFAOYSA-N	-2	3	329.316	-0.215	20	0		EBADHL
CN(C(=O)c1ncccc1[O-])C1CCN(Cc2nc(=O)n(C)[n-]2)CC1	ZINC001005303444	809850182	/nfs/dbraw/zinc/85/01/82/809850182.db2.gz	QUZBDFAJFOMZAW-UHFFFAOYSA-N	-2	3	346.391	-0.054	20	0		EBADHL
O=S(=O)([O-])C[C@H](CN1CCOCC1)Oc1ccnc(=S)[n-]1	ZINC001226940706	811892812	/nfs/dbraw/zinc/89/28/12/811892812.db2.gz	UFSNGGGKFXODQL-VIFPVBQESA-N	-2	3	335.407	-0.267	20	0		EBADHL
COC(=O)c1ccc([O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228192453	811967714	/nfs/dbraw/zinc/96/77/14/811967714.db2.gz	KPNUCFLKQYOQGI-LDYMZIIASA-N	-3	3	342.256	-0.379	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1cccc(-c2nnn[n-]2)c1)[C@H](O)C(=O)[O-]	ZINC001231121918	812274625	/nfs/dbraw/zinc/27/46/25/812274625.db2.gz	PRTIGZFUWAHNNA-SCZZXKLOSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1cccc(-c2nn[n-]n2)c1)[C@H](O)C(=O)[O-]	ZINC001231121918	812274629	/nfs/dbraw/zinc/27/46/29/812274629.db2.gz	PRTIGZFUWAHNNA-SCZZXKLOSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)NCCP(=O)([O-])[O-])ccc1O	ZINC001260401767	812831456	/nfs/dbraw/zinc/83/14/56/812831456.db2.gz	YBBZBQJAEMCEFN-UHFFFAOYSA-N	-3	3	325.235	-0.454	20	0		EBADHL
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001267436780	813893281	/nfs/dbraw/zinc/89/32/81/813893281.db2.gz	JIMBWFRBUVSIFY-UHFFFAOYSA-N	-2	3	333.352	-0.255	20	0		EBADHL
COC(=O)[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)nc1	ZINC001185062989	833346294	/nfs/dbraw/zinc/34/62/94/833346294.db2.gz	HVVSWFFXGZANFB-ZETCQYMHSA-N	-2	3	337.741	-0.185	20	0		EBADHL
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1n[n-]c2ccccc2c1=O	ZINC001134591433	829798134	/nfs/dbraw/zinc/79/81/34/829798134.db2.gz	NKIHUKLVNTVCOH-UHFFFAOYSA-N	-2	3	329.320	-0.321	20	0		EBADHL
C[C@H]1[C@H](NC(=O)c2ccc3[nH][n-]c(=O)c3c2)C(=O)N1S(=O)(=O)[O-]	ZINC001154213139	831319993	/nfs/dbraw/zinc/31/99/93/831319993.db2.gz	MGPPLTYUSVOJAI-CDUCUWFYSA-N	-2	3	340.317	-0.600	20	0		EBADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]CCN1CCC(O)CC1	ZINC000322351744	970875715	/nfs/dbraw/zinc/87/57/15/970875715.db2.gz	UOVMGICMMPEGFZ-UHFFFAOYSA-N	-2	3	335.407	-0.424	20	0		EBADHL
CN(C)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001593692140	954047828	/nfs/dbraw/zinc/04/78/28/954047828.db2.gz	QOABTNBHMLKLBW-APPZFPTMSA-N	-2	3	325.287	-0.329	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCOCC2)c(C)o1	ZINC001593798878	954841739	/nfs/dbraw/zinc/84/17/39/954841739.db2.gz	FNRAJEWQOULIFH-UHFFFAOYSA-N	-2	3	346.361	-0.140	20	0		EBADHL
Cn1ncc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])c1Br	ZINC001594586750	956005666	/nfs/dbraw/zinc/00/56/66/956005666.db2.gz	PJSSFTUDALSHDN-MRVPVSSYSA-N	-2	3	342.171	-0.704	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)n1	ZINC001594269369	959784337	/nfs/dbraw/zinc/78/43/37/959784337.db2.gz	OUYNECGIYIEBAB-LLVKDONJSA-N	-2	3	335.364	-0.702	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@H]3CC(C(=O)[O-])=NO3)CC2)n1	ZINC001594269702	959788589	/nfs/dbraw/zinc/78/85/89/959788589.db2.gz	WLXWUOZXMJCQHH-LLVKDONJSA-N	-2	3	349.347	-0.195	20	0		EBADHL
CC[C@](COC)([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(=O)OC	ZINC001595199612	979943344	/nfs/dbraw/zinc/94/33/44/979943344.db2.gz	LLJQVKJZBHYZCO-GFCCVEGCSA-N	-2	3	349.365	-0.337	20	0		EBADHL
CC(=O)N1CCN(CC[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1	ZINC001589081085	985247663	/nfs/dbraw/zinc/24/76/63/985247663.db2.gz	LDPJTXDSFQXBQA-UHFFFAOYSA-N	-2	3	345.377	-0.580	20	0		EBADHL
CN(CCCNc1ccnc(C(=O)[O-])n1)C(=O)c1cnc[n-]c1=O	ZINC001598483638	992186819	/nfs/dbraw/zinc/18/68/19/992186819.db2.gz	XHBTYTKQXDJXIM-UHFFFAOYSA-N	-2	3	332.320	-0.334	20	0		EBADHL
CS(C)(=O)=NS(=O)(=O)[N-][C@H](CCC1OCCO1)C(=O)[O-]	ZINC001599780659	992359416	/nfs/dbraw/zinc/35/94/16/992359416.db2.gz	JRRMPDKDQMRKCX-SSDOTTSWSA-N	-2	3	330.384	-0.845	20	0		EBADHL
CN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@H](C(=O)[O-])C1	ZINC001598603297	993599751	/nfs/dbraw/zinc/59/97/51/993599751.db2.gz	DYNVSCZZSGGMNZ-MRVPVSSYSA-N	-2	3	339.314	-0.082	20	0		EBADHL
CN1CCN(C(=O)CC[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1	ZINC001598604356	993620066	/nfs/dbraw/zinc/62/00/66/993620066.db2.gz	IMDYMFDVJMRUJI-UHFFFAOYSA-N	-2	3	345.377	-0.580	20	0		EBADHL
COC(=O)[C@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C(=O)[O-]	ZINC001598810860	996230220	/nfs/dbraw/zinc/23/02/20/996230220.db2.gz	MEINMICGDAUVHI-MNOVXSKESA-N	-2	3	337.332	-0.245	20	0		EBADHL
CO[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@H](C(=O)[O-])C1	ZINC001599120792	997735102	/nfs/dbraw/zinc/73/51/02/997735102.db2.gz	QYNONJPBLIOWEF-KOLCDFICSA-N	-2	3	332.320	-0.034	20	0		EBADHL
CO[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@H](C(=O)[O-])C1	ZINC001599120792	997735113	/nfs/dbraw/zinc/73/51/13/997735113.db2.gz	QYNONJPBLIOWEF-KOLCDFICSA-N	-2	3	332.320	-0.034	20	0		EBADHL
COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001599150789	998294981	/nfs/dbraw/zinc/29/49/81/998294981.db2.gz	FBWKMWIYFKEXJV-LLVKDONJSA-N	-2	3	335.338	-0.646	20	0		EBADHL
C[C@@H]1CN(C(=O)CN2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CCO1	ZINC001594464974	999681631	/nfs/dbraw/zinc/68/16/31/999681631.db2.gz	HNBWWLGBFLPJJP-ZWRZFFQRSA-N	-2	3	340.376	-0.269	20	0		EBADHL
CS(C)(=O)=NS(=O)(=O)[N-]Cc1nc2c(c(=O)[n-]1)COCC2	ZINC001414327065	1126223705	/nfs/dbraw/zinc/22/37/05/1126223705.db2.gz	OXSOQEHCWWKJIO-UHFFFAOYSA-N	-2	3	336.395	-0.683	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCc1nnn[n-]1	ZINC000600506524	376428093	/nfs/dbraw/zinc/42/80/93/376428093.db2.gz	ZDYAOXNPZJICTH-UHFFFAOYSA-N	-2	3	336.786	-0.491	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCc1nn[n-]n1	ZINC000600506524	376428101	/nfs/dbraw/zinc/42/81/01/376428101.db2.gz	ZDYAOXNPZJICTH-UHFFFAOYSA-N	-2	3	336.786	-0.491	20	0		EBADHL
C[C@@H](C(=O)[O-])N(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000262729496	376938401	/nfs/dbraw/zinc/93/84/01/376938401.db2.gz	BNJQCZGTRPCOQW-YFKPBYRVSA-N	-2	3	334.126	-0.357	20	0		EBADHL
CCOC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-]	ZINC000589682967	377419000	/nfs/dbraw/zinc/41/90/00/377419000.db2.gz	HGAZMCSUPQXILE-ZCFIWIBFSA-N	-2	3	338.363	-0.302	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c1	ZINC000274910026	379722268	/nfs/dbraw/zinc/72/22/68/379722268.db2.gz	KIBFHJVGVLNNDG-VIFPVBQESA-N	-2	3	335.309	-0.274	20	0		EBADHL
O=C([O-])[C@@H]1CC(=O)N(CC[N-]S(=O)(=O)c2cncc(Cl)c2)C1	ZINC000274968450	379727873	/nfs/dbraw/zinc/72/78/73/379727873.db2.gz	KFFCMRNPVCHVKO-MRVPVSSYSA-N	-2	3	347.780	-0.054	20	0		EBADHL
Cc1nc(C)c(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)s1	ZINC000275036880	379731962	/nfs/dbraw/zinc/73/19/62/379731962.db2.gz	UXMTXMZAXGXHJA-VIFPVBQESA-N	-2	3	347.418	-0.029	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-]	ZINC000547896823	380170090	/nfs/dbraw/zinc/17/00/90/380170090.db2.gz	QMVWUROQHNMAKB-VIFPVBQESA-N	-2	3	336.391	-0.238	20	0		EBADHL
CO[C@H](C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-]	ZINC000548549757	380214515	/nfs/dbraw/zinc/21/45/15/380214515.db2.gz	LEWAJOAZMMJDAP-SECBINFHSA-N	-2	3	336.391	-0.238	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H](C(=O)[O-])C2)cn1C	ZINC000361606309	380326516	/nfs/dbraw/zinc/32/65/16/380326516.db2.gz	GEBDSQYTTWGMAT-JTQLQIEISA-N	-2	3	344.393	-0.670	20	0		EBADHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-]	ZINC000287176355	380337843	/nfs/dbraw/zinc/33/78/43/380337843.db2.gz	JURYFLCAOWWYPF-RXMQYKEDSA-N	-2	3	341.267	-0.293	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1	ZINC000290121382	380461047	/nfs/dbraw/zinc/46/10/47/380461047.db2.gz	KTHNSZQBBXTUCV-UHFFFAOYSA-N	-2	3	345.308	-0.190	20	0		EBADHL
NC(=O)[C@]1([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCOC1	ZINC000577229025	380811010	/nfs/dbraw/zinc/81/10/10/380811010.db2.gz	WRYWGTQJLTXWDW-LBPRGKRZSA-N	-2	3	332.309	-0.553	20	0		EBADHL
CCOc1ccncc1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1	ZINC000579706600	381010405	/nfs/dbraw/zinc/01/04/05/381010405.db2.gz	PBPVXKKGJGGAKN-UHFFFAOYSA-N	-2	3	341.349	-0.365	20	0		EBADHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@H](O)Cc1ccccc1	ZINC000581646751	381092770	/nfs/dbraw/zinc/09/27/70/381092770.db2.gz	WVIJTALJUSAODW-ZYHUDNBSSA-N	-2	3	325.346	-0.255	20	0		EBADHL
N#Cc1ccc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)s1	ZINC000230325592	381237642	/nfs/dbraw/zinc/23/76/42/381237642.db2.gz	MQJBGLNJYMROBY-UHFFFAOYSA-N	-2	3	327.347	-0.112	20	0		EBADHL
C[C@@H](NC(=O)c1cc(=O)[n-]cn1)[C@@H](C)NC(=O)c1cc(=O)[n-]cn1	ZINC000626645520	381594797	/nfs/dbraw/zinc/59/47/97/381594797.db2.gz	NWXZPDDKGYBEFF-HTQZYQBOSA-N	-2	3	332.320	-0.385	20	0		EBADHL
Cn1ccc(S(=O)(=O)[N-]c2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)n1	ZINC000354223617	382219743	/nfs/dbraw/zinc/21/97/43/382219743.db2.gz	ZOUKKUTZGDXXMV-LLVKDONJSA-N	-2	3	349.372	-0.029	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)N1CCOCC1	ZINC000318089273	155178019	/nfs/dbraw/zinc/17/80/19/155178019.db2.gz	YCQHLTDMWVWPPK-MRVPVSSYSA-N	-2	3	348.402	-0.028	20	0		EBADHL
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCc1nc(=O)[n-][nH]1	ZINC000176255410	154112325	/nfs/dbraw/zinc/11/23/25/154112325.db2.gz	UHEGZBGQNJOJMF-UHFFFAOYSA-N	-2	3	345.363	-0.658	20	0		EBADHL
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000262080401	154211669	/nfs/dbraw/zinc/21/16/69/154211669.db2.gz	AVVXFWWMFNQZHN-DTWKUNHWSA-N	-2	3	348.402	-0.273	20	0		EBADHL
C[C@]1(c2ccc(C(=O)N[C@]3(C(=O)[O-])CCOC3)cc2)NC(=O)[N-]C1=O	ZINC000262167002	154217315	/nfs/dbraw/zinc/21/73/15/154217315.db2.gz	VYDFEBMFSPRJCV-HZPDHXFCSA-N	-2	3	347.327	-0.285	20	0		EBADHL
O=C([O-])CCCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000262739227	154245634	/nfs/dbraw/zinc/24/56/34/154245634.db2.gz	HRGHFWJPVGKSSL-UHFFFAOYSA-N	-2	3	334.126	-0.308	20	0		EBADHL
C[C@]1(c2cccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c2)NC(=O)[N-]C1=O	ZINC000262748518	154245973	/nfs/dbraw/zinc/24/59/73/154245973.db2.gz	IEYKWQJNCWHFCM-BDJLRTHQSA-N	-2	3	347.327	-0.333	20	0		EBADHL
CO[C@@H](CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000263137972	154254161	/nfs/dbraw/zinc/25/41/61/154254161.db2.gz	UQAMGLNRGGIQGG-ZUZCIYMTSA-N	-2	3	335.316	-0.429	20	0		EBADHL
COCCn1cc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])cn1	ZINC000275233679	154645093	/nfs/dbraw/zinc/64/50/93/154645093.db2.gz	JMHICWALYQFTDI-QMMMGPOBSA-N	-2	3	327.309	-0.084	20	0		EBADHL
COC(=O)CCCO[N-]C(=O)C[N-]S(=O)(=O)c1c(C)noc1C	ZINC000290563058	155005743	/nfs/dbraw/zinc/00/57/43/155005743.db2.gz	IKUINTSNJZWRCO-UHFFFAOYSA-N	-2	3	349.365	-0.429	20	0		EBADHL
Cc1c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])coc1C(=O)N(C)C	ZINC000650388184	419011963	/nfs/dbraw/zinc/01/19/63/419011963.db2.gz	WFTMLADSUCQJMM-SSDOTTSWSA-N	-3	3	348.333	-0.504	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CCN1C[C@@H](C(=O)[O-])CC1=O	ZINC000170306700	419134803	/nfs/dbraw/zinc/13/48/03/419134803.db2.gz	BMRFOLVCARVQLM-VIFPVBQESA-N	-2	3	331.350	-0.497	20	0		EBADHL
CC[C@@H](C(=O)[O-])N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000653341089	419253420	/nfs/dbraw/zinc/25/34/20/419253420.db2.gz	ZFXQVTIBDVXHLT-VIFPVBQESA-N	-2	3	332.382	-0.672	20	0		EBADHL
Cc1c(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)coc1C(=O)N(C)C	ZINC000645687077	419793780	/nfs/dbraw/zinc/79/37/80/419793780.db2.gz	ZOEZUHDHWJTHJI-UHFFFAOYSA-N	-2	3	344.349	-0.513	20	0		EBADHL
Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C2	ZINC000656181279	420882506	/nfs/dbraw/zinc/88/25/06/420882506.db2.gz	WHQYSCFSIYBHHY-MRVPVSSYSA-N	-2	3	326.334	-0.058	20	0		EBADHL
COc1cccc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])c1F	ZINC000656158606	420882966	/nfs/dbraw/zinc/88/29/66/420882966.db2.gz	BSIUYCRRKRWWLV-UHFFFAOYSA-N	-2	3	334.325	-0.297	20	0		EBADHL
Cc1cc(S(=O)(=O)[N-][C@H](C)CS(C)(=O)=O)oc1C(=O)[O-]	ZINC000663423785	421129983	/nfs/dbraw/zinc/12/99/83/421129983.db2.gz	YMVJWYYQWTUPAN-SSDOTTSWSA-N	-2	3	325.364	-0.002	20	0		EBADHL
Cc1cc(S(=O)(=O)[N-][C@@H](C)CS(C)(=O)=O)oc1C(=O)[O-]	ZINC000663423786	421130707	/nfs/dbraw/zinc/13/07/07/421130707.db2.gz	YMVJWYYQWTUPAN-ZETCQYMHSA-N	-2	3	325.364	-0.002	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCC(C)(C)C(=O)[O-])c1	ZINC000424241683	265053345	/nfs/dbraw/zinc/05/33/45/265053345.db2.gz	ZDUUWBDIKXNBGR-UHFFFAOYSA-N	-2	3	332.382	-0.685	20	0		EBADHL
C[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)[C@H]1C(=O)[O-]	ZINC000424248717	265054546	/nfs/dbraw/zinc/05/45/46/265054546.db2.gz	IIUHIUJVIOZCOT-JOYOIKCWSA-N	-2	3	344.393	-0.590	20	0		EBADHL
CC(C)n1cnc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)c1	ZINC000683299599	545972578	/nfs/dbraw/zinc/97/25/78/545972578.db2.gz	UUUCLAUTESGWOD-UHFFFAOYSA-N	-2	3	328.354	-0.268	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)o1	ZINC000673545756	546143013	/nfs/dbraw/zinc/14/30/13/546143013.db2.gz	JQVHSCVDBUOTFM-UHFFFAOYSA-N	-2	3	328.350	-0.426	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)[O-]	ZINC000731050936	582834028	/nfs/dbraw/zinc/83/40/28/582834028.db2.gz	REVQRWVGKUIRRS-QMMMGPOBSA-N	-3	3	349.292	-0.182	20	0		EBADHL
CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2nnn[n-]2)ccc1F	ZINC000732157947	582845444	/nfs/dbraw/zinc/84/54/44/582845444.db2.gz	MNKOGPCYJPODKE-UHFFFAOYSA-N	-2	3	342.356	-0.045	20	0		EBADHL
CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2nn[n-]n2)ccc1F	ZINC000732157947	582845446	/nfs/dbraw/zinc/84/54/46/582845446.db2.gz	MNKOGPCYJPODKE-UHFFFAOYSA-N	-2	3	342.356	-0.045	20	0		EBADHL
C[C@@]1(c2ccc(CNC(=O)c3cc(=O)[nH][n-]3)cc2)NC(=O)[N-]C1=O	ZINC000732282035	582847122	/nfs/dbraw/zinc/84/71/22/582847122.db2.gz	HWNMLBFUUXPUCJ-HNNXBMFYSA-N	-2	3	329.316	-0.767	20	0		EBADHL
COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000736968372	582978208	/nfs/dbraw/zinc/97/82/08/582978208.db2.gz	REXGZKKRHDTFAQ-MRVPVSSYSA-N	-2	3	325.350	-0.046	20	0		EBADHL
COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000736968372	582978210	/nfs/dbraw/zinc/97/82/10/582978210.db2.gz	REXGZKKRHDTFAQ-MRVPVSSYSA-N	-2	3	325.350	-0.046	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1	ZINC000761937856	583243201	/nfs/dbraw/zinc/24/32/01/583243201.db2.gz	WNFXEANGXJHCJI-UHFFFAOYSA-N	-2	3	325.705	-0.647	20	0		EBADHL
Cn1[n-]c(COC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)nc1=O	ZINC000765434264	583282407	/nfs/dbraw/zinc/28/24/07/583282407.db2.gz	IRHBAUMEDNRKIO-UHFFFAOYSA-N	-2	3	344.324	-0.024	20	0		EBADHL
Cn1[n-]c(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)nc1=O	ZINC000765459948	583282895	/nfs/dbraw/zinc/28/28/95/583282895.db2.gz	FFVUPWIUSQUSNQ-UHFFFAOYSA-N	-2	3	344.324	-0.024	20	0		EBADHL
Cn1[n-]c(COC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)nc1=O	ZINC000765485859	583283358	/nfs/dbraw/zinc/28/33/58/583283358.db2.gz	BUYNMXXZWOUGCL-OAHLLOKOSA-N	-2	3	345.315	-0.480	20	0		EBADHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)[C@H]1CCOC1	ZINC000776503609	583405425	/nfs/dbraw/zinc/40/54/25/583405425.db2.gz	OXTWZWPBKJEHQV-CABZTGNLSA-N	-2	3	329.378	-0.013	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])cc(F)c1F	ZINC000776540724	583405748	/nfs/dbraw/zinc/40/57/48/583405748.db2.gz	UVTFEYBZWZFITQ-QMMMGPOBSA-N	-2	3	339.272	-0.525	20	0		EBADHL
CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC000776612909	583407212	/nfs/dbraw/zinc/40/72/12/583407212.db2.gz	DEBMYPZQASNRCK-POYBYMJQSA-N	-2	3	325.774	-0.034	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)nc1Cl	ZINC000776629215	583407578	/nfs/dbraw/zinc/40/75/78/583407578.db2.gz	ZLPRUPFLYKININ-UHFFFAOYSA-N	-2	3	334.745	-0.772	20	0		EBADHL
CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1	ZINC000794763117	583585649	/nfs/dbraw/zinc/58/56/49/583585649.db2.gz	VXSYCJQFHBWFCG-VIFPVBQESA-N	-2	3	335.309	-0.274	20	0		EBADHL
O=C(Nn1c(=O)[n-][nH]c1=O)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000816733817	583720692	/nfs/dbraw/zinc/72/06/92/583720692.db2.gz	NBUYRCLPBWMLNU-SECBINFHSA-N	-2	3	333.304	-0.230	20	0		EBADHL
C[C@]1(c2ccc(C(=O)OCC(=O)NCC(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000820215004	583768373	/nfs/dbraw/zinc/76/83/73/583768373.db2.gz	QAOTZCIGAIAUQY-OAHLLOKOSA-N	-2	3	349.299	-0.901	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000820542716	583775340	/nfs/dbraw/zinc/77/53/40/583775340.db2.gz	QYZQKUJEYDOQSQ-GXSJLCMTSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000820542716	583775341	/nfs/dbraw/zinc/77/53/41/583775341.db2.gz	QYZQKUJEYDOQSQ-GXSJLCMTSA-N	-2	3	347.331	-0.054	20	0		EBADHL
O=C([O-])CSCC(=O)NCC[N-]S(=O)(=O)c1cccs1	ZINC000821536364	583792838	/nfs/dbraw/zinc/79/28/38/583792838.db2.gz	DQCHSTPVXILSGD-UHFFFAOYSA-N	-2	3	338.432	-0.040	20	0		EBADHL
O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823097960	583824073	/nfs/dbraw/zinc/82/40/73/583824073.db2.gz	FFBHAHCWKDXGEB-UHFFFAOYSA-N	-2	3	328.336	-0.018	20	0		EBADHL
O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823097960	583824075	/nfs/dbraw/zinc/82/40/75/583824075.db2.gz	FFBHAHCWKDXGEB-UHFFFAOYSA-N	-2	3	328.336	-0.018	20	0		EBADHL
O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000823483785	583829861	/nfs/dbraw/zinc/82/98/61/583829861.db2.gz	NDSBUTSTQMWZEV-ZCFIWIBFSA-N	-2	3	333.337	-0.345	20	0		EBADHL
O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000823483785	583829862	/nfs/dbraw/zinc/82/98/62/583829862.db2.gz	NDSBUTSTQMWZEV-ZCFIWIBFSA-N	-2	3	333.337	-0.345	20	0		EBADHL
O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000823483785	583829863	/nfs/dbraw/zinc/82/98/63/583829863.db2.gz	NDSBUTSTQMWZEV-ZCFIWIBFSA-N	-2	3	333.337	-0.345	20	0		EBADHL
O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000823483785	583829864	/nfs/dbraw/zinc/82/98/64/583829864.db2.gz	NDSBUTSTQMWZEV-ZCFIWIBFSA-N	-2	3	333.337	-0.345	20	0		EBADHL
C[C@@H](C(=O)NCC(=O)[O-])N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000826000727	583873350	/nfs/dbraw/zinc/87/33/50/583873350.db2.gz	QLYZYXBUROTGJD-NSHDSACASA-N	-2	3	335.360	-0.261	20	0		EBADHL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000826102328	583878318	/nfs/dbraw/zinc/87/83/18/583878318.db2.gz	XIPKRISJMHDQFC-FZVNPBSJSA-N	-2	3	340.336	-0.700	20	0		EBADHL
O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826449678	583902884	/nfs/dbraw/zinc/90/28/84/583902884.db2.gz	FESWMYKCSXFXKE-MRVPVSSYSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826449678	583902886	/nfs/dbraw/zinc/90/28/86/583902886.db2.gz	FESWMYKCSXFXKE-MRVPVSSYSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1	ZINC000826461138	583902909	/nfs/dbraw/zinc/90/29/09/583902909.db2.gz	HPRXUUFEBARBKY-SNVBAGLBSA-N	-2	3	339.333	-0.659	20	0		EBADHL
O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1	ZINC000826461138	583902912	/nfs/dbraw/zinc/90/29/12/583902912.db2.gz	HPRXUUFEBARBKY-SNVBAGLBSA-N	-2	3	339.333	-0.659	20	0		EBADHL
CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)C1=O	ZINC000826956731	583912640	/nfs/dbraw/zinc/91/26/40/583912640.db2.gz	ZYQLFKRXWGJLOG-SECBINFHSA-N	-2	3	332.378	-0.303	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)n1	ZINC000828700374	583945846	/nfs/dbraw/zinc/94/58/46/583945846.db2.gz	UDCMIFJMTGCIHO-SSDOTTSWSA-N	-2	3	327.297	-0.772	20	0		EBADHL
COC(=O)Cc1nnc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)[n-]1	ZINC000828700374	583945848	/nfs/dbraw/zinc/94/58/48/583945848.db2.gz	UDCMIFJMTGCIHO-SSDOTTSWSA-N	-2	3	327.297	-0.772	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)n[n-]1	ZINC000828700374	583945849	/nfs/dbraw/zinc/94/58/49/583945849.db2.gz	UDCMIFJMTGCIHO-SSDOTTSWSA-N	-2	3	327.297	-0.772	20	0		EBADHL
CCC[C@](C)(NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000829193892	583951366	/nfs/dbraw/zinc/95/13/66/583951366.db2.gz	NAVLMRVBIGUOIE-LBPRGKRZSA-N	-2	3	332.382	-0.542	20	0		EBADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CN(C(=O)[O-])C1	ZINC000829699493	583957229	/nfs/dbraw/zinc/95/72/29/583957229.db2.gz	LANBHLOLQFAMKR-UHFFFAOYSA-N	-2	3	334.375	-0.269	20	0		EBADHL
CS(=O)(=O)c1nc([N-]C(=O)c2ccc(CNC(=O)[O-])o2)n[n-]1	ZINC000829700163	583957450	/nfs/dbraw/zinc/95/74/50/583957450.db2.gz	PWENUOHJVNTHES-UHFFFAOYSA-N	-3	3	329.294	-0.179	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000829890372	583959591	/nfs/dbraw/zinc/95/95/91/583959591.db2.gz	PKYATIRLWHPKSO-VXNVDRBHSA-N	-2	3	331.350	-0.072	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000829890372	583959594	/nfs/dbraw/zinc/95/95/94/583959594.db2.gz	PKYATIRLWHPKSO-VXNVDRBHSA-N	-2	3	331.350	-0.072	20	0		EBADHL
CCOCCS(=O)(=O)[N-]CC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000830021619	583962009	/nfs/dbraw/zinc/96/20/09/583962009.db2.gz	KLNRJMIGDNCXJS-UHFFFAOYSA-N	-2	3	333.366	-0.382	20	0		EBADHL
Cn1cccc(C(=O)Nc2n[n-]c(N3CCN(C(=O)[O-])CC3)n2)c1=O	ZINC000831022502	583974695	/nfs/dbraw/zinc/97/46/95/583974695.db2.gz	IPSHQFCHTLRKOL-UHFFFAOYSA-N	-2	3	347.335	-0.444	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)OC)C(=O)[O-])c(C)o1	ZINC000831029354	583974944	/nfs/dbraw/zinc/97/49/44/583974944.db2.gz	PLUCGXVURZSZPQ-QMMMGPOBSA-N	-2	3	348.333	-0.758	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)OC[C@@H]2CCCN2C(=O)[O-])c1	ZINC000831041118	583975478	/nfs/dbraw/zinc/97/54/78/583975478.db2.gz	KUQCABWXPAMTTI-VIFPVBQESA-N	-2	3	346.365	-0.616	20	0		EBADHL
CON(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000831836940	583992633	/nfs/dbraw/zinc/99/26/33/583992633.db2.gz	SAQBPEFTABOYAT-IUCAKERBSA-N	-2	3	342.439	-0.232	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H](CC(=O)[O-])C2CC2)c1	ZINC000833057565	584003716	/nfs/dbraw/zinc/00/37/16/584003716.db2.gz	DNTMUIATRUVCSS-SECBINFHSA-N	-2	3	330.366	-0.932	20	0		EBADHL
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCc3c[nH]nn3)cc2)[n-]1	ZINC000833267041	584008070	/nfs/dbraw/zinc/00/80/70/584008070.db2.gz	WSZXGKPXOPGMID-UHFFFAOYSA-N	-2	3	342.315	-0.159	20	0		EBADHL
CC[C@@H](OC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000833647031	584013394	/nfs/dbraw/zinc/01/33/94/584013394.db2.gz	ZUCBDYRSLWTBKT-SECBINFHSA-N	-2	3	333.366	-0.197	20	0		EBADHL
CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000833665092	584013491	/nfs/dbraw/zinc/01/34/91/584013491.db2.gz	DFBRUXCPLFMKOT-ZCFIWIBFSA-N	-2	3	339.395	-0.482	20	0		EBADHL
CN(C(=O)CN1CC[C@@]2(C1)NC(=O)[N-]C2=O)c1ccccc1C(=O)[O-]	ZINC000833684524	584013666	/nfs/dbraw/zinc/01/36/66/584013666.db2.gz	HIIQYLCBEBSYJS-INIZCTEOSA-N	-2	3	346.343	-0.369	20	0		EBADHL
COC(=O)c1cc(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc(C(=O)[O-])c1	ZINC000833712285	584015002	/nfs/dbraw/zinc/01/50/02/584015002.db2.gz	DHHWFWOMBKRTLH-LBPRGKRZSA-N	-2	3	347.327	-0.093	20	0		EBADHL
COC(=O)c1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc(C(=O)[O-])c1	ZINC000833715725	584015301	/nfs/dbraw/zinc/01/53/01/584015301.db2.gz	YYPAWCFIBYAAER-VIFPVBQESA-N	-2	3	335.272	-0.292	20	0		EBADHL
O=C([O-])c1ccc(OC[C@H](O)CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1	ZINC000833782955	584016277	/nfs/dbraw/zinc/01/62/77/584016277.db2.gz	UKIJXSBECSCFEY-DGCLKSJQSA-N	-2	3	349.343	-0.640	20	0		EBADHL
O=C([O-])N(CC(=O)Nc1nnc(SCCO)[n-]1)C[C@H]1CCCO1	ZINC000834008400	584023954	/nfs/dbraw/zinc/02/39/54/584023954.db2.gz	YJBUOGVANRTDBU-MRVPVSSYSA-N	-2	3	345.381	-0.013	20	0		EBADHL
O=C([O-])N(CC(=O)Nc1nc(SCCO)n[n-]1)C[C@H]1CCCO1	ZINC000834008400	584023955	/nfs/dbraw/zinc/02/39/55/584023955.db2.gz	YJBUOGVANRTDBU-MRVPVSSYSA-N	-2	3	345.381	-0.013	20	0		EBADHL
O=C([O-])N(CC(=O)Nc1n[n-]c(SCCO)n1)C[C@H]1CCCO1	ZINC000834008400	584023957	/nfs/dbraw/zinc/02/39/57/584023957.db2.gz	YJBUOGVANRTDBU-MRVPVSSYSA-N	-2	3	345.381	-0.013	20	0		EBADHL
O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)C[C@H]21	ZINC000834173680	584027674	/nfs/dbraw/zinc/02/76/74/584027674.db2.gz	FEAWFGSGFNDYLI-DBIOUOCHSA-N	-2	3	338.364	-0.131	20	0		EBADHL
O=C([O-])N[C@@H]1CCc2ncc(NC(=O)CN3CC(=O)[N-]C3=O)cc2C1	ZINC000834191630	584027735	/nfs/dbraw/zinc/02/77/35/584027735.db2.gz	JTYUUCDXJABOPF-SECBINFHSA-N	-2	3	347.331	-0.303	20	0		EBADHL
O=C([O-])N1CC(C(=O)Oc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1	ZINC000834289921	584030668	/nfs/dbraw/zinc/03/06/68/584030668.db2.gz	PBOVDCMYXJQVQR-LLVKDONJSA-N	-2	3	333.300	-0.048	20	0		EBADHL
O=C([O-])N1CCSC[C@H]1CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000834290961	584030951	/nfs/dbraw/zinc/03/09/51/584030951.db2.gz	VAXWDIMLFVDXHH-BDAKNGLRSA-N	-2	3	342.377	-0.766	20	0		EBADHL
CCO[N-]C(=O)CNc1cc(NCC(=O)[N-]OCC)nc(C)n1	ZINC000845714298	584115240	/nfs/dbraw/zinc/11/52/40/584115240.db2.gz	TVABIIPNFHIZJJ-UHFFFAOYSA-N	-2	3	326.357	-0.256	20	0		EBADHL
CC(=O)C[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-]	ZINC000863407273	584369763	/nfs/dbraw/zinc/36/97/63/584369763.db2.gz	GCWSYUKLOMGSII-QMMMGPOBSA-N	-2	3	346.292	-0.029	20	0		EBADHL
Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)N2CCCCC2)c(=O)[n-]1	ZINC000052793925	649955035	/nfs/dbraw/zinc/95/50/35/649955035.db2.gz	UKHZMEYWQPUGTF-UHFFFAOYSA-N	-2	3	328.394	-0.224	20	0		EBADHL
O=C(N[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccoc1	ZINC000068216366	649965319	/nfs/dbraw/zinc/96/53/19/649965319.db2.gz	TXTNJXPMVRRAOQ-UHFFFAOYSA-N	-2	3	335.297	-0.214	20	0		EBADHL
C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@@H]1NC(=O)c1ncccc1[O-]	ZINC000941988857	653014281	/nfs/dbraw/zinc/01/42/81/653014281.db2.gz	INLYSOLUGTTXIP-QWRGUYRKSA-N	-2	3	346.391	-0.151	20	0		EBADHL
Cc1nc[n-]c(=O)c1CCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000949072678	653593199	/nfs/dbraw/zinc/59/31/99/653593199.db2.gz	KEQRFPJPVMNPNB-UHFFFAOYSA-N	-2	3	347.379	-0.409	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@]2(C)CCN(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000956831541	722114837	/nfs/dbraw/zinc/11/48/37/722114837.db2.gz	LHWKOCANYOPGKB-OAHLLOKOSA-N	-2	3	346.347	-0.046	20	0		EBADHL
Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncccc2[O-])nc1=O	ZINC000958636334	722406674	/nfs/dbraw/zinc/40/66/74/722406674.db2.gz	ARMQJJZXAXKLHL-GDGBQDQQSA-N	-2	3	330.348	-0.931	20	0		EBADHL
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC000971392968	725362431	/nfs/dbraw/zinc/36/24/31/725362431.db2.gz	CXRISDYICRXPJI-JTQLQIEISA-N	-2	3	332.364	-0.445	20	0		EBADHL
Cn1[n-]c(CN2CCC[C@H](CNC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001023325215	729663854	/nfs/dbraw/zinc/66/38/54/729663854.db2.gz	DPKDPFQEEUGOOM-LLVKDONJSA-N	-2	3	346.391	-0.149	20	0		EBADHL
O=C(NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)c1cnc[n-]c1=O	ZINC001024500804	729894964	/nfs/dbraw/zinc/89/49/64/729894964.db2.gz	VQBNBPJJDFCCLO-VIFPVBQESA-N	-2	3	333.352	-0.210	20	0		EBADHL
Cn1[n-]c(CN2CC[C@H](CNC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001028497801	730301294	/nfs/dbraw/zinc/30/12/94/730301294.db2.gz	AGCKVFDLPOQEOJ-SNVBAGLBSA-N	-2	3	332.364	-0.539	20	0		EBADHL
O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cc(=O)[n-]c(C2CC2)n1	ZINC001038375066	731315009	/nfs/dbraw/zinc/31/50/09/731315009.db2.gz	HBXAWQALSYXJMA-SECBINFHSA-N	-2	3	345.363	-0.112	20	0		EBADHL
Cn1[n-]c(CN2C[C@@H]3CN(C(=O)c4ncccc4[O-])C[C@@H]3C2)nc1=O	ZINC001048780708	734507201	/nfs/dbraw/zinc/50/72/01/734507201.db2.gz	OACILQIEOMADGJ-PHIMTYICSA-N	-2	3	344.375	-0.587	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001008261829	810120950	/nfs/dbraw/zinc/12/09/50/810120950.db2.gz	CGEBHGHBAWHXSY-VIFPVBQESA-N	-2	3	333.352	-0.291	20	0		EBADHL
O=[N+]([O-])O[C@H]1CO[C@@H]2[C@H](Oc3nc4ncnc-4c([S-])[n-]3)CO[C@@H]21	ZINC001226784073	811884276	/nfs/dbraw/zinc/88/42/76/811884276.db2.gz	DLMUMGSCSDBAAM-IXROVEORSA-N	-2	3	341.305	-0.237	20	0		EBADHL
COC(=O)c1ccc([O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228192451	811967488	/nfs/dbraw/zinc/96/74/88/811967488.db2.gz	KPNUCFLKQYOQGI-KCJUWKMLSA-N	-3	3	342.256	-0.379	20	0		EBADHL
CCCc1cnc(=O)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228872711	812000326	/nfs/dbraw/zinc/00/03/26/812000326.db2.gz	BTXYAWWPFXQDIN-VXNVDRBHSA-N	-3	3	328.277	-0.424	20	0		EBADHL
CCCc1cnc(=O)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228872707	812000622	/nfs/dbraw/zinc/00/06/22/812000622.db2.gz	BTXYAWWPFXQDIN-CBAPKCEASA-N	-3	3	328.277	-0.424	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1ccccc1-c1nnn[n-]1)[C@@H](O)C(=O)[O-]	ZINC001229950618	812063599	/nfs/dbraw/zinc/06/35/99/812063599.db2.gz	NDPPTJSKMDWAEW-GMSGAONNSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1ccccc1-c1nn[n-]n1)[C@@H](O)C(=O)[O-]	ZINC001229950618	812063604	/nfs/dbraw/zinc/06/36/04/812063604.db2.gz	NDPPTJSKMDWAEW-GMSGAONNSA-N	-3	3	336.260	-0.692	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])cc1	ZINC001259148110	812807517	/nfs/dbraw/zinc/80/75/17/812807517.db2.gz	JBBWVAJXYDDXPQ-UHFFFAOYSA-N	-2	3	343.319	-0.454	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-]CC(=O)CCC(=O)[O-])s1	ZINC001260710519	812846692	/nfs/dbraw/zinc/84/66/92/812846692.db2.gz	NZXXVXFTYCCSQR-UHFFFAOYSA-N	-2	3	335.363	-0.186	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001097689120	819018617	/nfs/dbraw/zinc/01/86/17/819018617.db2.gz	LQWDJSQMJHHUBY-BBBLOLIVSA-N	-2	3	345.363	-0.150	20	0		EBADHL
C[C@H]1[C@H](Nc2cc(F)cc(-c3nnn[n-]3)c2)C(=O)N1S(=O)(=O)[O-]	ZINC001167861529	832379497	/nfs/dbraw/zinc/37/94/97/832379497.db2.gz	KUOCNZJUWIFKFB-CDUCUWFYSA-N	-2	3	342.312	-0.180	20	0		EBADHL
C[C@H]1[C@H](Nc2cc(F)cc(-c3nn[n-]n3)c2)C(=O)N1S(=O)(=O)[O-]	ZINC001167861529	832379500	/nfs/dbraw/zinc/37/95/00/832379500.db2.gz	KUOCNZJUWIFKFB-CDUCUWFYSA-N	-2	3	342.312	-0.180	20	0		EBADHL
COc1nc(S(=O)(=O)[N-]CCOP(=O)([O-])[O-])ccc1F	ZINC001190116771	834230773	/nfs/dbraw/zinc/23/07/73/834230773.db2.gz	LRGBVOPWZXZVLR-UHFFFAOYSA-N	-3	3	330.230	-0.383	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC001331135942	841348728	/nfs/dbraw/zinc/34/87/28/841348728.db2.gz	RKEQKUJEVUBCHO-SECBINFHSA-N	-2	3	335.320	-0.579	20	0		EBADHL
Cn1c2cc([O-])c(NC(=O)[C@@H]3CC(C(=O)[O-])=NO3)cc2n(C)c1=O	ZINC001611268609	970962828	/nfs/dbraw/zinc/96/28/28/970962828.db2.gz	UVYPWAOEQQZSJU-NSHDSACASA-N	-2	3	334.288	-0.249	20	0		EBADHL
Cc1cc(-c2nn[n-]n2)cc(C)c1CS(=O)(=O)[N-]c1nnn(C)n1	ZINC001570949758	949655287	/nfs/dbraw/zinc/65/52/87/949655287.db2.gz	AOCOXHFWJHEOSV-UHFFFAOYSA-N	-2	3	349.380	-0.051	20	0		EBADHL
CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@@]2(C(=O)[O-])CCCO2)[n-]1	ZINC001591278978	951110734	/nfs/dbraw/zinc/11/07/34/951110734.db2.gz	CSGGTNFGBWHKDN-FUXBKTLASA-N	-2	3	326.309	-0.208	20	0		EBADHL
O=C([O-])CN1CCCC[C@@H]([N-]S(=O)(=O)Cc2ccno2)C1=O	ZINC001595096345	951817241	/nfs/dbraw/zinc/81/72/41/951817241.db2.gz	IRHHQWYUZAPYPN-SNVBAGLBSA-N	-2	3	331.350	-0.440	20	0		EBADHL
O=C([O-])C1=NO[C@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1	ZINC001594892491	954547091	/nfs/dbraw/zinc/54/70/91/954547091.db2.gz	RVYYTLLTHVQYDR-ZDUSSCGKSA-N	-2	3	347.327	-0.094	20	0		EBADHL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCOCCO	ZINC001594896843	954573539	/nfs/dbraw/zinc/57/35/39/954573539.db2.gz	SXIWKJVBULNSHW-IUCAKERBSA-N	-2	3	328.287	-0.409	20	0		EBADHL
CC(C)(CS(C)(=O)=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000391400322	972333841	/nfs/dbraw/zinc/33/38/41/972333841.db2.gz	QLDNJXHCJRGAJA-UHFFFAOYSA-N	-2	3	342.420	-0.057	20	0		EBADHL
C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134680719	958848791	/nfs/dbraw/zinc/84/87/91/958848791.db2.gz	FVELOUPRXQPLEV-QMMMGPOBSA-N	-2	3	335.407	-0.160	20	0		EBADHL
CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1	ZINC000228177107	960000799	/nfs/dbraw/zinc/00/07/99/960000799.db2.gz	WLJRRTMYLHJLGF-QMMMGPOBSA-N	-2	3	334.423	-0.635	20	0		EBADHL
CCS(=O)(=O)CC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000233833809	960328562	/nfs/dbraw/zinc/32/85/62/960328562.db2.gz	GFDKLMCWRLBUJF-UHFFFAOYSA-N	-2	3	328.393	-0.446	20	0		EBADHL
O=C([O-])CN1CCC[C@H](C(=O)N2CCc3c(=O)[n-]cnc3C2)C1=O	ZINC001574719256	962749856	/nfs/dbraw/zinc/74/98/56/962749856.db2.gz	JDVNWQXQLZYFQN-JTQLQIEISA-N	-2	3	334.332	-0.610	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001605449177	973529061	/nfs/dbraw/zinc/52/90/61/973529061.db2.gz	WUHYIAJZGBZYII-ZJUUUORDSA-N	-2	3	345.377	-0.061	20	0		EBADHL
C[C@@H](CNC(=O)c1cnc[n-]c1=O)N(C)c1ncc(C(=O)[O-])cn1	ZINC001592692479	979140964	/nfs/dbraw/zinc/14/09/64/979140964.db2.gz	NHVCDZATKKXXOJ-QMMMGPOBSA-N	-2	3	332.320	-0.075	20	0		EBADHL
C[C@H](CNC(=O)c1cnc[n-]c1=O)N(C)c1ncc(C(=O)[O-])cn1	ZINC001592692478	979141017	/nfs/dbraw/zinc/14/10/17/979141017.db2.gz	NHVCDZATKKXXOJ-MRVPVSSYSA-N	-2	3	332.320	-0.075	20	0		EBADHL
CC[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C(=O)N1CCOCC1	ZINC001595316014	980480114	/nfs/dbraw/zinc/48/01/14/980480114.db2.gz	APBQJFKCWFOHCR-SNVBAGLBSA-N	-2	3	346.361	-0.107	20	0		EBADHL
CCC1(CC)CNC(=O)[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001595375867	980900963	/nfs/dbraw/zinc/90/09/63/980900963.db2.gz	FRVGSYSTUYGLQA-QMMMGPOBSA-N	-2	3	330.366	-0.309	20	0		EBADHL
CCC(=O)C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-]	ZINC001594695662	987117550	/nfs/dbraw/zinc/11/75/50/987117550.db2.gz	KXEYTYBPEUYPKP-ZCFIWIBFSA-N	-3	3	336.347	-0.058	20	0		EBADHL
CS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC001599754225	992031157	/nfs/dbraw/zinc/03/11/57/992031157.db2.gz	NZOOSXWEWNQZFZ-UHFFFAOYSA-N	-2	3	338.363	-0.853	20	0		EBADHL
COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001598901712	997183251	/nfs/dbraw/zinc/18/32/51/997183251.db2.gz	MEVMBBYEHUEKTR-OIBJUYFYSA-N	-2	3	333.318	-0.105	20	0		EBADHL
COCCNC(=O)C1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC001599241500	998052089	/nfs/dbraw/zinc/05/20/89/998052089.db2.gz	GTOHKDYTSFUPEF-UHFFFAOYSA-N	-2	3	332.334	-0.449	20	0		EBADHL
Cn1[n-]c(CN(CCNC(=O)c2ncccc2[O-])C2CC2)nc1=O	ZINC001481167558	1125932876	/nfs/dbraw/zinc/93/28/76/1125932876.db2.gz	QPDOZRXSBMLZJJ-UHFFFAOYSA-N	-2	3	332.364	-0.397	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001092903468	1128286075	/nfs/dbraw/zinc/28/60/75/1128286075.db2.gz	KYUDURYYWOPKKT-PSASIEDQSA-N	-2	3	347.379	-0.188	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)CCc3nnn[n-]3)C2)n1	ZINC001412605113	1129574050	/nfs/dbraw/zinc/57/40/50/1129574050.db2.gz	DQTWTYUTIKKGSV-JTQLQIEISA-N	-2	3	332.368	-0.278	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001362690958	1131642517	/nfs/dbraw/zinc/64/25/17/1131642517.db2.gz	ZLCZUGUETJYQEA-SECBINFHSA-N	-2	3	331.336	-0.564	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])N1CCC(c2nn[n-]n2)CC1	ZINC001363517907	1131987593	/nfs/dbraw/zinc/98/75/93/1131987593.db2.gz	ALVHPBVBZAUVGP-UHFFFAOYSA-N	-2	3	331.336	-0.564	20	0		EBADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCCS(=O)(=O)C1	ZINC000134712047	376033054	/nfs/dbraw/zinc/03/30/54/376033054.db2.gz	MNXKWKQKGGCNHJ-LURJTMIESA-N	-2	3	340.404	-0.303	20	0		EBADHL
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]C[C@H](Oc1ccccc1)C(=O)[O-]	ZINC000572650195	377259631	/nfs/dbraw/zinc/25/96/31/377259631.db2.gz	UKWUREGGUSNKRR-JQWIXIFHSA-N	-2	3	344.389	-0.085	20	0		EBADHL
C[C@@]1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCS(=O)(=O)C1	ZINC000563075475	377714838	/nfs/dbraw/zinc/71/48/38/377714838.db2.gz	UKLVSVJHOLKIKO-SECBINFHSA-N	-2	3	340.404	-0.303	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000262496289	378816181	/nfs/dbraw/zinc/81/61/81/378816181.db2.gz	HCCWZTDZLKTOHU-SVRRBLITSA-N	-2	3	333.366	-0.205	20	0		EBADHL
CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c[n-]1	ZINC000618906562	379161641	/nfs/dbraw/zinc/16/16/41/379161641.db2.gz	NGBZARVWFAPBLR-UHFFFAOYSA-N	-2	3	341.349	-0.175	20	0		EBADHL
CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)[n-]1	ZINC000618906562	379161643	/nfs/dbraw/zinc/16/16/43/379161643.db2.gz	NGBZARVWFAPBLR-UHFFFAOYSA-N	-2	3	341.349	-0.175	20	0		EBADHL
CS(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1	ZINC000400132986	379185468	/nfs/dbraw/zinc/18/54/68/379185468.db2.gz	BUBJNFKMDFZHFP-SSDOTTSWSA-N	-2	3	338.363	-0.710	20	0		EBADHL
C[C@H](CO[N-]C(=O)CN1CC(=O)[N-]C1=O)NC(=O)OC(C)(C)C	ZINC000270913769	379488463	/nfs/dbraw/zinc/48/84/63/379488463.db2.gz	BQQGDGAEBXRJLD-MRVPVSSYSA-N	-2	3	330.341	-0.501	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274881428	379719978	/nfs/dbraw/zinc/71/99/78/379719978.db2.gz	CYPOFFIUNFMQMV-YFKPBYRVSA-N	-3	3	337.331	-0.259	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274912808	379721742	/nfs/dbraw/zinc/72/17/42/379721742.db2.gz	LDCVKPOJVIUBHG-MRVPVSSYSA-N	-3	3	349.292	-0.182	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-][C@@H](Cc2cnc[nH]2)C(=O)[O-])c1Cl	ZINC000274908961	379722179	/nfs/dbraw/zinc/72/21/79/379722179.db2.gz	JZLICWYCNFYPMZ-ZETCQYMHSA-N	-2	3	333.757	-0.229	20	0		EBADHL
O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000274913838	379723518	/nfs/dbraw/zinc/72/35/18/379723518.db2.gz	LHNRIDKLBZZOTM-LURJTMIESA-N	-2	3	325.140	-0.432	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])s1	ZINC000274945527	379725726	/nfs/dbraw/zinc/72/57/26/379725726.db2.gz	RSEUVNHCYPXGQA-YFKPBYRVSA-N	-2	3	336.347	-0.858	20	0		EBADHL
Cn1cc(C[C@H]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)C(=O)[O-])cn1	ZINC000275264976	379747013	/nfs/dbraw/zinc/74/70/13/379747013.db2.gz	MQWQYYMKIOZKGS-QMMMGPOBSA-N	-2	3	347.784	-0.219	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-]	ZINC000275361416	379753775	/nfs/dbraw/zinc/75/37/75/379753775.db2.gz	XNSHLWRWCMUPMD-QMMMGPOBSA-N	-2	3	349.317	-0.331	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000275373714	379753884	/nfs/dbraw/zinc/75/38/84/379753884.db2.gz	YZJTZHHCJASIBV-SNVBAGLBSA-N	-2	3	328.350	-0.001	20	0		EBADHL
Cc1cc(C(=O)NC[C@@]2(O)CCN(C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000545171922	380083350	/nfs/dbraw/zinc/08/33/50/380083350.db2.gz	DLOMJKOHSIOPLP-HNNXBMFYSA-N	-2	3	333.348	-0.459	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cn1	ZINC000547780294	380163657	/nfs/dbraw/zinc/16/36/57/380163657.db2.gz	HMOYKUNXZMIARE-JTQLQIEISA-N	-2	3	339.377	-0.769	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-]	ZINC000547903970	380170278	/nfs/dbraw/zinc/17/02/78/380170278.db2.gz	AGGVUHWEMUAOIU-QMMMGPOBSA-N	-2	3	349.365	-0.567	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-]	ZINC000547903970	380170284	/nfs/dbraw/zinc/17/02/84/380170284.db2.gz	AGGVUHWEMUAOIU-QMMMGPOBSA-N	-2	3	349.365	-0.567	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCOCC(=O)[O-])c1	ZINC000548266358	380195720	/nfs/dbraw/zinc/19/57/20/380195720.db2.gz	VVXUTRLJKJAYNN-UHFFFAOYSA-N	-2	3	335.309	-0.008	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000548528462	380211892	/nfs/dbraw/zinc/21/18/92/380211892.db2.gz	DVLIWLXGDTXJPI-LURJTMIESA-N	-3	3	349.317	-0.165	20	0		EBADHL
CC(C)(C)c1cc(CS(=O)(=O)[N-]CC(=O)NCC(=O)[O-])no1	ZINC000552017284	380284060	/nfs/dbraw/zinc/28/40/60/380284060.db2.gz	UHHXEUVASNWKDV-UHFFFAOYSA-N	-2	3	333.366	-0.408	20	0		EBADHL
C[C@@](O)(CNC(=O)C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000564976819	380390830	/nfs/dbraw/zinc/39/08/30/380390830.db2.gz	CDORTFBTHSMOHT-GFCCVEGCSA-N	-2	3	334.325	-0.944	20	0		EBADHL
COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)N1CCOCC1	ZINC000340733577	380613991	/nfs/dbraw/zinc/61/39/91/380613991.db2.gz	GSHZHTDCHNWTLD-UHFFFAOYSA-N	-2	3	347.349	-0.423	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)c1	ZINC000574633607	380718481	/nfs/dbraw/zinc/71/84/81/380718481.db2.gz	YGOOEUPGIHSJJI-YPMHNXCESA-N	-2	3	339.373	-0.245	20	0		EBADHL
CCOc1ccncc1S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-]	ZINC000578017256	380874708	/nfs/dbraw/zinc/87/47/08/380874708.db2.gz	WNNWIXVPMCVZOJ-UHFFFAOYSA-N	-2	3	331.350	-0.651	20	0		EBADHL
N=c1nc(N2CCC(n3cc(C(=O)[O-])nn3)CC2)nc2[nH][n-]cc1-2	ZINC000579478629	380991785	/nfs/dbraw/zinc/99/17/85/380991785.db2.gz	CMKZVQFNFQFVLX-UHFFFAOYSA-N	-2	3	329.324	-0.152	20	0		EBADHL
COCCCS(=O)(=O)[N-]CC(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000628540025	381964880	/nfs/dbraw/zinc/96/48/80/381964880.db2.gz	FOLIVRGGGUYIHD-UHFFFAOYSA-N	-2	3	348.450	-0.094	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]c2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)c1	ZINC000354216688	382218279	/nfs/dbraw/zinc/21/82/79/382218279.db2.gz	IVAQRJWAGOUFNT-NSHDSACASA-N	-2	3	349.372	-0.029	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])c(C)o1	ZINC000275007268	292005059	/nfs/dbraw/zinc/00/50/59/292005059.db2.gz	BJJURAKYXLCPOE-SSDOTTSWSA-N	-2	3	348.333	-0.628	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])s1	ZINC000298854854	155138848	/nfs/dbraw/zinc/13/88/48/155138848.db2.gz	KZQVPTQWFVJOBJ-UHFFFAOYSA-N	-2	3	336.347	-0.986	20	0		EBADHL
COC(=O)c1csc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1	ZINC000299476935	155156682	/nfs/dbraw/zinc/15/66/82/155156682.db2.gz	ABCRCZRPCHCGSU-UHFFFAOYSA-N	-2	3	336.347	-0.986	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000262055714	154210524	/nfs/dbraw/zinc/21/05/24/154210524.db2.gz	GFRXUUSDOGMYBB-QPUJVOFHSA-N	-2	3	348.402	-0.225	20	0		EBADHL
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-]	ZINC000262432926	154232006	/nfs/dbraw/zinc/23/20/06/154232006.db2.gz	FRUSJAIBIPOUHH-SNVBAGLBSA-N	-2	3	336.391	-0.127	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000262895399	154250103	/nfs/dbraw/zinc/25/01/03/154250103.db2.gz	AQXKUWBDHDAQPK-RKDXNWHRSA-N	-2	3	348.402	-0.273	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N(C)[C@H](C)C(=O)[O-])cn1C	ZINC000262917856	154250228	/nfs/dbraw/zinc/25/02/28/154250228.db2.gz	UOBHVCXIBFGNBN-MRVPVSSYSA-N	-2	3	332.382	-0.672	20	0		EBADHL
CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-]	ZINC000263081208	154252723	/nfs/dbraw/zinc/25/27/23/154252723.db2.gz	HSFLHRBLAXAJJC-TZMCWYRMSA-N	-2	3	331.390	-0.001	20	0		EBADHL
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1	ZINC000263146747	154254121	/nfs/dbraw/zinc/25/41/21/154254121.db2.gz	FASCJVSCFQEMRE-UWVGGRQHSA-N	-2	3	344.393	-0.732	20	0		EBADHL
Cc1cc(C(=O)NCC2(O)CCN(C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000267079713	154363446	/nfs/dbraw/zinc/36/34/46/154363446.db2.gz	IYJKDOHNGPKEBD-UHFFFAOYSA-N	-2	3	347.375	-0.069	20	0		EBADHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-]	ZINC000296918603	155080034	/nfs/dbraw/zinc/08/00/34/155080034.db2.gz	KOKDVJZTRVHZMW-FFWSUHOLSA-N	-2	3	335.725	-0.012	20	0		EBADHL
CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC(=O)[O-]	ZINC000341267727	155947073	/nfs/dbraw/zinc/94/70/73/155947073.db2.gz	YLBILQQEBHLHQZ-UHFFFAOYSA-N	-2	3	336.391	-0.310	20	0		EBADHL
O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCc1n[nH]c(=O)[n-]1	ZINC000358354375	157235732	/nfs/dbraw/zinc/23/57/32/157235732.db2.gz	KJPWULRDSZGQRM-UHFFFAOYSA-N	-2	3	342.315	-0.602	20	0		EBADHL
Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C[C@H]1NC(=O)[N-]C1=O	ZINC000358411519	157243846	/nfs/dbraw/zinc/24/38/46/157243846.db2.gz	WCGQAVFAQSNNBY-SECBINFHSA-N	-2	3	332.320	-0.734	20	0		EBADHL
CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000653484757	419761111	/nfs/dbraw/zinc/76/11/11/419761111.db2.gz	BSAQRSMRPIJXST-UHFFFAOYSA-N	-2	3	328.354	-0.067	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])c1	ZINC000516229887	420509569	/nfs/dbraw/zinc/50/95/69/420509569.db2.gz	IPUAEIQYALWLCK-JTQLQIEISA-N	-2	3	335.309	-0.010	20	0		EBADHL
CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000645969882	420532195	/nfs/dbraw/zinc/53/21/95/420532195.db2.gz	TUFAYORZIYQGCM-LURJTMIESA-N	-2	3	342.420	-0.057	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c[nH]1	ZINC000496029820	420615987	/nfs/dbraw/zinc/61/59/87/420615987.db2.gz	OSUIDHXPUUFXFS-QMMMGPOBSA-N	-2	3	348.381	-0.026	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCC2)cn1	ZINC000659785003	421031553	/nfs/dbraw/zinc/03/15/53/421031553.db2.gz	NBCDWQMDTRFKIL-UHFFFAOYSA-N	-2	3	327.362	-0.026	20	0		EBADHL
O=C([O-])C1(NC(=O)C[N-]S(=O)(=O)c2cccs2)CCOCC1	ZINC000663142134	421126464	/nfs/dbraw/zinc/12/64/64/421126464.db2.gz	DMLPJYZCAPGPRN-UHFFFAOYSA-N	-2	3	348.402	-0.224	20	0		EBADHL
Cc1cc(CO)oc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1	ZINC000339265718	421223110	/nfs/dbraw/zinc/22/31/10/421223110.db2.gz	PCBDSJYTVHSJSS-UHFFFAOYSA-N	-2	3	332.363	0.556	20	0		EBADHL
Cc1cc(C(=O)N2CCN(CCO)[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000428533720	265126831	/nfs/dbraw/zinc/12/68/31/265126831.db2.gz	NQRFFAPFBGCWPQ-JTQLQIEISA-N	-2	3	347.375	-0.117	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000727851075	582661418	/nfs/dbraw/zinc/66/14/18/582661418.db2.gz	FSXHMUAGLJKTCU-LBPRGKRZSA-N	-2	3	341.331	-0.654	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)N[C@H](c1nn[n-]n1)c1ccccc1	ZINC000727851075	582661420	/nfs/dbraw/zinc/66/14/20/582661420.db2.gz	FSXHMUAGLJKTCU-LBPRGKRZSA-N	-2	3	341.331	-0.654	20	0		EBADHL
CCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000736624999	582948039	/nfs/dbraw/zinc/94/80/39/582948039.db2.gz	HIEUVXRGDRDSBZ-UHFFFAOYSA-N	-2	3	325.350	-0.037	20	0		EBADHL
CCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000736624999	582948041	/nfs/dbraw/zinc/94/80/41/582948041.db2.gz	HIEUVXRGDRDSBZ-UHFFFAOYSA-N	-2	3	325.350	-0.037	20	0		EBADHL
CN(C)C(=O)Cn1cnc([N-]C(=O)c2sccc2-c2nn[n-]n2)n1	ZINC000736751506	582953337	/nfs/dbraw/zinc/95/33/37/582953337.db2.gz	LQYPWYFKCRRYOI-UHFFFAOYSA-N	-2	3	347.364	-0.140	20	0		EBADHL
CCN(CCC(=O)[O-])C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000737095080	582989622	/nfs/dbraw/zinc/98/96/22/582989622.db2.gz	QVXOHGLHDBFWIW-UHFFFAOYSA-N	-2	3	346.409	-0.280	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NCCCCC(=O)[O-])cn1C	ZINC000738869704	583005063	/nfs/dbraw/zinc/00/50/63/583005063.db2.gz	YLCGYNMHMKIHIJ-UHFFFAOYSA-N	-2	3	332.382	-0.622	20	0		EBADHL
COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)CCC(=O)[O-])cc1	ZINC000737621785	583023031	/nfs/dbraw/zinc/02/30/31/583023031.db2.gz	LDYUCKVBYKUUSX-UHFFFAOYSA-N	-2	3	344.345	-0.194	20	0		EBADHL
Cn1[n-]nnc1=NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1	ZINC000737625746	583023117	/nfs/dbraw/zinc/02/31/17/583023117.db2.gz	AVBHKYJASYLMNG-UHFFFAOYSA-N	-2	3	327.356	-0.712	20	0		EBADHL
Cn1[n-]nnc1=NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1	ZINC000737625746	583023120	/nfs/dbraw/zinc/02/31/20/583023120.db2.gz	AVBHKYJASYLMNG-UHFFFAOYSA-N	-2	3	327.356	-0.712	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)OCc2nc(=O)n(C)[n-]2)ccc1F	ZINC000765492727	583283433	/nfs/dbraw/zinc/28/34/33/583283433.db2.gz	QLEKLOIQFQOIGO-UHFFFAOYSA-N	-2	3	344.324	-0.487	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1F	ZINC000769523376	583324624	/nfs/dbraw/zinc/32/46/24/583324624.db2.gz	WRRJCQOOOTWERI-SNVBAGLBSA-N	-2	3	346.336	-0.341	20	0		EBADHL
O=C(CC[C@H]1NC(=O)[N-]C1=O)OCCC[N-]C(=O)C(F)(F)F	ZINC000774899632	583391963	/nfs/dbraw/zinc/39/19/63/583391963.db2.gz	AHTKSHRKUMKDEI-ZCFIWIBFSA-N	-2	3	325.243	-0.414	20	0		EBADHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc2nonc21)[C@H]1CCOC1	ZINC000776502580	583405141	/nfs/dbraw/zinc/40/51/41/583405141.db2.gz	HECHPMPSYSVJLT-OIBJUYFYSA-N	-2	3	327.318	-0.009	20	0		EBADHL
COc1ccc(C(=O)[N-]C(=O)COC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000779104745	583430818	/nfs/dbraw/zinc/43/08/18/583430818.db2.gz	OEYLNPTYWVVMRQ-JTQLQIEISA-N	-2	3	349.299	-0.907	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC(C)(C)C(=O)[O-])cn1C	ZINC000781134651	583454292	/nfs/dbraw/zinc/45/42/92/583454292.db2.gz	PVACDWUGMZJNPT-UHFFFAOYSA-N	-2	3	346.409	-0.376	20	0		EBADHL
CC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-]	ZINC000787934125	583525542	/nfs/dbraw/zinc/52/55/42/583525542.db2.gz	LCXWXRDWHSQCPS-VIFPVBQESA-N	-2	3	349.386	-0.199	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)[N-]N1CN=NC1=O	ZINC000810862534	583686878	/nfs/dbraw/zinc/68/68/78/583686878.db2.gz	TUTVLRIFMAQPHB-UHFFFAOYSA-N	-2	3	333.276	-0.690	20	0		EBADHL
COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000818523908	583745111	/nfs/dbraw/zinc/74/51/11/583745111.db2.gz	QCRHBIPIKSCOJX-MRVPVSSYSA-N	-2	3	342.329	-0.215	20	0		EBADHL
C[C@H](NS(C)(=O)=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000820450212	583773273	/nfs/dbraw/zinc/77/32/73/583773273.db2.gz	IAKGDPVONRIQQW-LURJTMIESA-N	-2	3	326.338	-0.552	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000820541465	583775291	/nfs/dbraw/zinc/77/52/91/583775291.db2.gz	FWBWUPROYHCHJP-JOYOIKCWSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000820541465	583775294	/nfs/dbraw/zinc/77/52/94/583775294.db2.gz	FWBWUPROYHCHJP-JOYOIKCWSA-N	-2	3	347.331	-0.054	20	0		EBADHL
CCN(C)S(=O)(=O)[N-]C(=O)COc1ccc(-c2nnn[n-]2)cc1	ZINC000821165500	583786200	/nfs/dbraw/zinc/78/62/00/583786200.db2.gz	UHRUVYLSULLUAR-UHFFFAOYSA-N	-2	3	340.365	-0.442	20	0		EBADHL
CCN(C)S(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000821165500	583786202	/nfs/dbraw/zinc/78/62/02/583786202.db2.gz	UHRUVYLSULLUAR-UHFFFAOYSA-N	-2	3	340.365	-0.442	20	0		EBADHL
COc1cccc(S([O-])=CC(=O)OCc2nc(=O)n(C)[n-]2)c1	ZINC000821352645	583789435	/nfs/dbraw/zinc/78/94/35/583789435.db2.gz	LRGOOSMBVBJQQT-QFIPXVFZSA-N	-2	3	325.346	-0.032	20	0		EBADHL
CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2nc(C)cc(=O)[n-]2)c1=O	ZINC000821565513	583792991	/nfs/dbraw/zinc/79/29/91/583792991.db2.gz	WDKGPYGTGVRWJH-UHFFFAOYSA-N	-2	3	330.308	-0.938	20	0		EBADHL
CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(C)cc(=O)[n-]2)c1=O	ZINC000821565513	583792993	/nfs/dbraw/zinc/79/29/93/583792993.db2.gz	WDKGPYGTGVRWJH-UHFFFAOYSA-N	-2	3	330.308	-0.938	20	0		EBADHL
C[C@H](O)[C@@H](NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-]	ZINC000824680254	583848974	/nfs/dbraw/zinc/84/89/74/583848974.db2.gz	ZWRSYRUKRVXFQJ-OIBJUYFYSA-N	-2	3	341.349	-0.880	20	0		EBADHL
C[C@H](O)[C@@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-]	ZINC000824680254	583848975	/nfs/dbraw/zinc/84/89/75/583848975.db2.gz	ZWRSYRUKRVXFQJ-OIBJUYFYSA-N	-2	3	341.349	-0.880	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000824731345	583849729	/nfs/dbraw/zinc/84/97/29/583849729.db2.gz	URVMTBJUDJVLRK-SKDRFNHKSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000824731345	583849730	/nfs/dbraw/zinc/84/97/30/583849730.db2.gz	URVMTBJUDJVLRK-SKDRFNHKSA-N	-2	3	347.331	-0.054	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826339515	583891801	/nfs/dbraw/zinc/89/18/01/583891801.db2.gz	HKPWLPKSZGTXTJ-UHFFFAOYSA-N	-2	3	337.321	-0.082	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826339515	583891803	/nfs/dbraw/zinc/89/18/03/583891803.db2.gz	HKPWLPKSZGTXTJ-UHFFFAOYSA-N	-2	3	337.321	-0.082	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826449665	583902426	/nfs/dbraw/zinc/90/24/26/583902426.db2.gz	DQFVKHDALVFYJF-MRVPVSSYSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826449665	583902428	/nfs/dbraw/zinc/90/24/28/583902428.db2.gz	DQFVKHDALVFYJF-MRVPVSSYSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=c1[n-]c(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n[nH]1	ZINC000826501722	583906464	/nfs/dbraw/zinc/90/64/64/583906464.db2.gz	DOKAEFNUQHAIPL-UHFFFAOYSA-N	-2	3	328.340	-0.592	20	0		EBADHL
O=c1[n-]c(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n[nH]1	ZINC000826501722	583906466	/nfs/dbraw/zinc/90/64/66/583906466.db2.gz	DOKAEFNUQHAIPL-UHFFFAOYSA-N	-2	3	328.340	-0.592	20	0		EBADHL
C[C@H](CS(=O)(=O)[N-][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C(=O)[O-]	ZINC000827550654	583923435	/nfs/dbraw/zinc/92/34/35/583923435.db2.gz	BUANKWAWYPLCCY-KKZNHRDASA-N	-2	3	344.393	-0.446	20	0		EBADHL
CN(CC1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1)C(=O)[O-]	ZINC000828254317	583936326	/nfs/dbraw/zinc/93/63/26/583936326.db2.gz	YIJAYVIMCXFVRE-UHFFFAOYSA-N	-2	3	325.325	-0.068	20	0		EBADHL
O=C([O-])N1CC(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1	ZINC000831534187	583984343	/nfs/dbraw/zinc/98/43/43/583984343.db2.gz	VNXOVQCSPYTAHP-UHFFFAOYSA-N	-2	3	332.320	-0.138	20	0		EBADHL
O=C([O-])N1CC(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1	ZINC000831534187	583984344	/nfs/dbraw/zinc/98/43/44/583984344.db2.gz	VNXOVQCSPYTAHP-UHFFFAOYSA-N	-2	3	332.320	-0.138	20	0		EBADHL
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000831714644	583990571	/nfs/dbraw/zinc/99/05/71/583990571.db2.gz	GDGHRDYHRVCZLB-GHMZBOCLSA-N	-2	3	332.320	-0.404	20	0		EBADHL
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000831714644	583990572	/nfs/dbraw/zinc/99/05/72/583990572.db2.gz	GDGHRDYHRVCZLB-GHMZBOCLSA-N	-2	3	332.320	-0.404	20	0		EBADHL
O=C([O-])N1CCO[C@@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1	ZINC000831715196	583990610	/nfs/dbraw/zinc/99/06/10/583990610.db2.gz	OEKIYANIKPAFQL-LLVKDONJSA-N	-2	3	332.320	-0.138	20	0		EBADHL
O=C([O-])N1CCO[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1	ZINC000831715196	583990611	/nfs/dbraw/zinc/99/06/11/583990611.db2.gz	OEKIYANIKPAFQL-LLVKDONJSA-N	-2	3	332.320	-0.138	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N(CC(=O)[O-])C2CCCC2)c1	ZINC000833057502	584003675	/nfs/dbraw/zinc/00/36/75/584003675.db2.gz	ALCAXTNWNIRRQK-UHFFFAOYSA-N	-2	3	344.393	-0.446	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)OCc2cc(C(=O)[O-])co2)c1	ZINC000833058457	584003849	/nfs/dbraw/zinc/00/38/49/584003849.db2.gz	XFYOUNLOOLGLCT-UHFFFAOYSA-N	-2	3	343.317	-0.267	20	0		EBADHL
NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)O1	ZINC000833080577	584004443	/nfs/dbraw/zinc/00/44/43/584004443.db2.gz	BKNDQRVUQNPTAX-SFYZADRCSA-N	-2	3	334.375	-0.243	20	0		EBADHL
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC000833089852	584005426	/nfs/dbraw/zinc/00/54/26/584005426.db2.gz	ABOIHAHTQPUULO-UHFFFAOYSA-N	-2	3	334.288	-0.137	20	0		EBADHL
O=C([O-])c1cccc(NC(=O)CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1	ZINC000833108329	584005796	/nfs/dbraw/zinc/00/57/96/584005796.db2.gz	OCYWDRZLPRDSQN-NSHDSACASA-N	-2	3	332.316	-0.441	20	0		EBADHL
COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000833702711	584014390	/nfs/dbraw/zinc/01/43/90/584014390.db2.gz	YGMGYQLCMMNAEF-MEDUHNTESA-N	-2	3	347.327	-0.117	20	0		EBADHL
NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cn1	ZINC000833762489	584016110	/nfs/dbraw/zinc/01/61/10/584016110.db2.gz	MTJGFHLKPRJJHM-UHFFFAOYSA-N	-2	3	325.302	-0.050	20	0		EBADHL
CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]OC[C@@H](C)NC(=O)[O-])C1	ZINC000833863864	584017557	/nfs/dbraw/zinc/01/75/57/584017557.db2.gz	SXKWQDGADDGALE-ZJUUUORDSA-N	-2	3	337.398	-0.248	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](C)CCNC(=O)[O-])cn1C	ZINC000833917338	584019633	/nfs/dbraw/zinc/01/96/33/584019633.db2.gz	XVQMNKNCKMRNRM-QMMMGPOBSA-N	-2	3	347.397	-0.831	20	0		EBADHL
O=C([O-])N[C@H]1CCc2ncc(NC(=O)CN3CC(=O)[N-]C3=O)cc2C1	ZINC000834191631	584027684	/nfs/dbraw/zinc/02/76/84/584027684.db2.gz	JTYUUCDXJABOPF-VIFPVBQESA-N	-2	3	347.331	-0.303	20	0		EBADHL
O=C([O-])NC[C@@H](C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccccc1	ZINC000834211555	584029482	/nfs/dbraw/zinc/02/94/82/584029482.db2.gz	XOUDSVUPAPMPPC-NEPJUHHUSA-N	-2	3	346.343	-0.200	20	0		EBADHL
O=C([O-])N1CCC2(CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)C2)CC1	ZINC000834288198	584030411	/nfs/dbraw/zinc/03/04/11/584030411.db2.gz	CVAOOHDMKQGSRR-JTQLQIEISA-N	-2	3	338.364	-0.033	20	0		EBADHL
O=C([O-])N1CCC(CCC(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)CC1	ZINC000834288315	584030451	/nfs/dbraw/zinc/03/04/51/584030451.db2.gz	FEUUAQTVBMSHHH-OAHLLOKOSA-N	-2	3	338.364	-0.033	20	0		EBADHL
O=C([O-])N1CCSC[C@H]1CC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000834290964	584030928	/nfs/dbraw/zinc/03/09/28/584030928.db2.gz	VAXWDIMLFVDXHH-RKDXNWHRSA-N	-2	3	342.377	-0.766	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N(CCOC)CC(=O)[O-])cn1	ZINC000842700473	584065863	/nfs/dbraw/zinc/06/58/63/584065863.db2.gz	VCYKUWGIQPKJCP-UHFFFAOYSA-N	-2	3	331.350	-0.837	20	0		EBADHL
CS(=O)(=O)N1CCC(CS(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])CC1	ZINC000844797963	584097299	/nfs/dbraw/zinc/09/72/99/584097299.db2.gz	CSTGVDAAQBMEJM-SECBINFHSA-N	-2	3	346.402	-1.000	20	0		EBADHL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCn1cncn1	ZINC000852734423	584215007	/nfs/dbraw/zinc/21/50/07/584215007.db2.gz	AYEFEQCILSNLOE-RKDXNWHRSA-N	-2	3	335.286	-0.126	20	0		EBADHL
O=C(Cn1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)cn1)NC1CCCC1	ZINC000854613402	584244671	/nfs/dbraw/zinc/24/46/71/584244671.db2.gz	PYYAIOXYJBFZGI-UHFFFAOYSA-N	-2	3	335.324	-0.672	20	0		EBADHL
CC(=O)C[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-]	ZINC000863407272	584369898	/nfs/dbraw/zinc/36/98/98/584369898.db2.gz	GCWSYUKLOMGSII-MRVPVSSYSA-N	-2	3	346.292	-0.029	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)COc1cccc(-c2nnn[n-]2)c1	ZINC000737013426	598739985	/nfs/dbraw/zinc/73/99/85/598739985.db2.gz	HYSPCBDYXOAXKW-UHFFFAOYSA-N	-2	3	341.349	-0.662	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[n-]n2)c1	ZINC000737013426	598739986	/nfs/dbraw/zinc/73/99/86/598739986.db2.gz	HYSPCBDYXOAXKW-UHFFFAOYSA-N	-2	3	341.349	-0.662	20	0		EBADHL
Cc1[nH]nc(S(=O)(=O)[N-][C@@]2(C)CCS(=O)(=O)C2)c1C(=O)[O-]	ZINC000738828468	600338571	/nfs/dbraw/zinc/33/85/71/600338571.db2.gz	CWPGELNJTAOHNV-JTQLQIEISA-N	-2	3	337.379	-0.728	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)C2(OC)CCN(C(=O)[O-])CC2)n[n-]1	ZINC000739768523	603208807	/nfs/dbraw/zinc/20/88/07/603208807.db2.gz	QCVCLVOVALUAIV-UHFFFAOYSA-N	-2	3	341.324	-0.382	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)c3c(C)nc[n-]c3=O)C2)c1[O-]	ZINC000938481214	652279823	/nfs/dbraw/zinc/27/98/23/652279823.db2.gz	QAWPGQCGPXKRPS-VIFPVBQESA-N	-2	3	346.347	-0.128	20	0		EBADHL
C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1Cc1nc(=O)n(C)[n-]1	ZINC000947231420	653342879	/nfs/dbraw/zinc/34/28/79/653342879.db2.gz	LYTOCGZLKIXCBW-GHMZBOCLSA-N	-2	3	346.391	-0.008	20	0		EBADHL
C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1NC(=O)c1ncccc1[O-]	ZINC000965940117	724543887	/nfs/dbraw/zinc/54/38/87/724543887.db2.gz	CDZLNOKNXFIYDQ-QWRGUYRKSA-N	-2	3	346.391	-0.151	20	0		EBADHL
C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1ncccc1[O-]	ZINC000965940115	724544130	/nfs/dbraw/zinc/54/41/30/724544130.db2.gz	CDZLNOKNXFIYDQ-GHMZBOCLSA-N	-2	3	346.391	-0.151	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC000972145347	725471286	/nfs/dbraw/zinc/47/12/86/725471286.db2.gz	ZNDMACCHGMBTMD-SECBINFHSA-N	-2	3	333.352	-0.339	20	0		EBADHL
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-]	ZINC001033010823	730956315	/nfs/dbraw/zinc/95/63/15/730956315.db2.gz	VWORLYDBZHGUGV-SECBINFHSA-N	-2	3	335.368	-0.808	20	0		EBADHL
O=C(c1ncccc1[O-])N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051566745	735238397	/nfs/dbraw/zinc/23/83/97/735238397.db2.gz	RIVVQDLXFZZQMM-SECBINFHSA-N	-2	3	334.336	-0.758	20	0		EBADHL
Cc1n[nH]c(C(=O)NCCN(CCO)C(=O)c2ccccc2[O-])c1[O-]	ZINC001057015343	736920398	/nfs/dbraw/zinc/92/03/98/736920398.db2.gz	NPHVQPKQYVCOTA-UHFFFAOYSA-N	-2	3	348.359	-0.006	20	0		EBADHL
C[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])CN1Cc1nc(=O)n(C)[n-]1	ZINC001071454536	741139836	/nfs/dbraw/zinc/13/98/36/741139836.db2.gz	NJIFMFOFCGWATK-MNOVXSKESA-N	-2	3	346.391	-0.008	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001075925281	742330488	/nfs/dbraw/zinc/33/04/88/742330488.db2.gz	CXJLGSKVLUOSJZ-WCBMZHEXSA-N	-2	3	331.336	-0.648	20	0		EBADHL
C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OCCP(=O)([O-])[O-]	ZINC001224606345	811767659	/nfs/dbraw/zinc/76/76/59/811767659.db2.gz	OOVQZJKGJSMCGL-QMMMGPOBSA-N	-2	3	346.280	-0.984	20	0		EBADHL
O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccc1[O-]	ZINC001090081918	817014686	/nfs/dbraw/zinc/01/46/86/817014686.db2.gz	DEBGRUPHFUGFSW-JQWIXIFHSA-N	-2	3	333.348	-0.419	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)[N-]N2CC(=O)N(C)C2=O)c(C)o1	ZINC001116449323	826619652	/nfs/dbraw/zinc/61/96/52/826619652.db2.gz	QADHFAYLYYBORR-UHFFFAOYSA-N	-2	3	330.322	-0.965	20	0		EBADHL
O=C([O-])[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cccnc1Cl	ZINC001116664189	826631615	/nfs/dbraw/zinc/63/16/15/826631615.db2.gz	ZDLIMLJEFKJYJZ-SECBINFHSA-N	-2	3	349.796	-0.201	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-]C2CS(=O)(=O)C2)c(F)cc1F	ZINC001195185756	835194969	/nfs/dbraw/zinc/19/49/69/835194969.db2.gz	AGJVFKQLESUIGB-UHFFFAOYSA-N	-2	3	341.313	-0.262	20	0		EBADHL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc([O-])cc(F)c1	ZINC001206766754	836676848	/nfs/dbraw/zinc/67/68/48/836676848.db2.gz	LJEZHCXOWFZURU-UHFFFAOYSA-N	-2	3	331.285	-0.458	20	0		EBADHL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-][C@@H]1CN(c2ccccc2)C1=O	ZINC001595168980	952217136	/nfs/dbraw/zinc/21/71/36/952217136.db2.gz	HQHAKGVXNFDATN-NEPJUHHUSA-N	-2	3	339.373	-0.215	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCCCC(=O)[O-]	ZINC001594501479	955324830	/nfs/dbraw/zinc/32/48/30/955324830.db2.gz	AELBGTDFZPQXSC-UHFFFAOYSA-N	-2	3	333.366	-0.059	20	0		EBADHL
C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)COCC(=O)[O-]	ZINC001589096110	955988367	/nfs/dbraw/zinc/98/83/67/955988367.db2.gz	UPUVLYSAIONFGD-BDAKNGLRSA-N	-2	3	325.321	-0.032	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)[C@H]3CC(C(=O)[O-])=NO3)C2)n1	ZINC001594269061	959780185	/nfs/dbraw/zinc/78/01/85/959780185.db2.gz	HCGSAAGZXHIXKN-WCBMZHEXSA-N	-2	3	335.320	-0.585	20	0		EBADHL
O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21	ZINC001571200972	962364708	/nfs/dbraw/zinc/36/47/08/962364708.db2.gz	RBKGFKVONSCXDM-YYXYEGJISA-N	-2	3	332.316	-0.911	20	0		EBADHL
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1	ZINC001571216858	962514935	/nfs/dbraw/zinc/51/49/35/962514935.db2.gz	COOYLRPUQKYIHX-AATLWQCWSA-N	-2	3	334.332	-0.473	20	0		EBADHL
COC(=O)[C@@]1([N-]S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCSC1	ZINC001604276248	972844747	/nfs/dbraw/zinc/84/47/47/972844747.db2.gz	XBUQJHZRNYOYLF-GZMMTYOYSA-N	-2	3	338.407	-0.582	20	0		EBADHL
CCOC(=O)CC1([N-]S(=O)(=O)N2CCC[C@H]2C(=O)[O-])COC1	ZINC001603793368	974257568	/nfs/dbraw/zinc/25/75/68/974257568.db2.gz	GEGMRWZMHWFEJH-VIFPVBQESA-N	-2	3	336.366	-0.908	20	0		EBADHL
C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1	ZINC001588662161	983788740	/nfs/dbraw/zinc/78/87/40/983788740.db2.gz	YBXKGWJTIBCHMW-LLVKDONJSA-N	-2	3	347.327	-0.116	20	0		EBADHL
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCCn1cc(C(=O)[O-])nn1	ZINC001589719388	987879661	/nfs/dbraw/zinc/87/96/61/987879661.db2.gz	DNIFHCHBWXEILW-VIFPVBQESA-N	-2	3	348.381	-0.517	20	0		EBADHL
CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O	ZINC001589801002	988205381	/nfs/dbraw/zinc/20/53/81/988205381.db2.gz	IJGLZBPPSDTVCM-ZETCQYMHSA-N	-2	3	330.366	-0.214	20	0		EBADHL
C[C@@H]1[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCS1(=O)=O	ZINC001599881880	989496148	/nfs/dbraw/zinc/49/61/48/989496148.db2.gz	BUIPKRMYKVVEQF-PHDIDXHHSA-N	-2	3	340.404	-0.305	20	0		EBADHL
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccoc1C(=O)[O-]	ZINC001598284111	991179693	/nfs/dbraw/zinc/17/96/93/991179693.db2.gz	ZUMYTEHWOPZDBT-IBGZPJMESA-N	-2	3	325.368	-0.113	20	0		EBADHL
CNC(=O)c1n[n-]nc1NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001598662346	994618551	/nfs/dbraw/zinc/61/85/51/994618551.db2.gz	XPMZMBNDUJDZJK-WPPNPWJKSA-N	-2	3	338.324	-0.881	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)[O-])CC2)o1	ZINC001598675043	994827208	/nfs/dbraw/zinc/82/72/08/994827208.db2.gz	ZVFVZUIIQUJLAP-UHFFFAOYSA-N	-2	3	331.350	-0.970	20	0		EBADHL
CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](F)C(=O)[O-]	ZINC001598675798	994841438	/nfs/dbraw/zinc/84/14/38/994841438.db2.gz	MLPNOKZSJCMRGQ-ZETCQYMHSA-N	-2	3	340.354	-0.704	20	0		EBADHL
COC(=O)[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598696730	995151536	/nfs/dbraw/zinc/15/15/36/995151536.db2.gz	KOHSMBQIQMKVGK-UKKRHICBSA-N	-2	3	335.378	-0.120	20	0		EBADHL
COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC001598703818	995260173	/nfs/dbraw/zinc/26/01/73/995260173.db2.gz	JHFAMKWBBJFSNB-KOLCDFICSA-N	-2	3	330.362	-0.194	20	0		EBADHL
COC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC001598879107	996789512	/nfs/dbraw/zinc/78/95/12/996789512.db2.gz	GKBFQNSOPAZRTK-SSDOTTSWSA-N	-2	3	332.338	-0.383	20	0		EBADHL
COC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC001598879108	996789532	/nfs/dbraw/zinc/78/95/32/996789532.db2.gz	GKBFQNSOPAZRTK-ZETCQYMHSA-N	-2	3	332.338	-0.383	20	0		EBADHL
C[C@H]1CC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CS1(=O)=O	ZINC001594327506	999258751	/nfs/dbraw/zinc/25/87/51/999258751.db2.gz	YSGQLRCWEUZYHD-BQBZGAKWSA-N	-2	3	337.379	-0.648	20	0		EBADHL
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1CNC(=O)c1ncccc1[O-]	ZINC001092560600	1128253908	/nfs/dbraw/zinc/25/39/08/1128253908.db2.gz	GDOASLCOCIGVCL-GHMZBOCLSA-N	-2	3	346.391	-0.293	20	0		EBADHL
Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001411770398	1129376984	/nfs/dbraw/zinc/37/69/84/1129376984.db2.gz	UTOBITWDTBNQFZ-SNVBAGLBSA-N	-2	3	339.377	-0.305	20	0		EBADHL
CCN(CCNC(=O)CCc1c(C)nc[n-]c1=O)Cc1n[nH]c(=O)[n-]1	ZINC001366619862	1133213527	/nfs/dbraw/zinc/21/35/27/1133213527.db2.gz	JSZZMIONSJGRNM-UHFFFAOYSA-N	-2	3	349.395	-0.115	20	0		EBADHL
N=c1nc(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)nc2[nH][n-]cc1-2	ZINC000583443652	376803854	/nfs/dbraw/zinc/80/38/54/376803854.db2.gz	YGBKWKACCWVDCY-SSDOTTSWSA-N	-2	3	329.324	-0.152	20	0		EBADHL
COCCN(C)S(=O)(=O)[N-]c1c(C(=O)OC)c[n-]c1C(=O)OC	ZINC000593210001	377877454	/nfs/dbraw/zinc/87/74/54/377877454.db2.gz	CETAISIDYSNWKY-UHFFFAOYSA-N	-2	3	349.365	-0.177	20	0		EBADHL
CC[C@H](C)[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000339350011	378906674	/nfs/dbraw/zinc/90/66/74/378906674.db2.gz	UPXZSZHIQRSTRG-UFBFGSQYSA-N	-2	3	346.409	-0.378	20	0		EBADHL
COCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000064940754	379038942	/nfs/dbraw/zinc/03/89/42/379038942.db2.gz	IDHANQSLRVHKQB-UHFFFAOYSA-N	-3	3	337.379	-0.025	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC000571490013	379186673	/nfs/dbraw/zinc/18/66/73/379186673.db2.gz	RYCAJLUMIRCEBQ-MADCSZMMSA-N	-2	3	329.334	-0.318	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC000571490013	379186680	/nfs/dbraw/zinc/18/66/80/379186680.db2.gz	RYCAJLUMIRCEBQ-MADCSZMMSA-N	-2	3	329.334	-0.318	20	0		EBADHL
Cc1cc(C(=O)NCCN2CCN(C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000265820795	379257723	/nfs/dbraw/zinc/25/77/23/379257723.db2.gz	OIVDPSPVLOHCHV-UHFFFAOYSA-N	-2	3	346.391	-0.278	20	0		EBADHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]CCOCC(N)=O)c1F	ZINC000273811968	379661427	/nfs/dbraw/zinc/66/14/27/379661427.db2.gz	UJKWGNIZUKATKN-UHFFFAOYSA-N	-2	3	334.325	-0.387	20	0		EBADHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-]	ZINC000274875139	379720027	/nfs/dbraw/zinc/72/00/27/379720027.db2.gz	BLUISQMTVVWLMY-XNCJUZBTSA-N	-2	3	339.167	-0.044	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274881426	379720750	/nfs/dbraw/zinc/72/07/50/379720750.db2.gz	CYPOFFIUNFMQMV-RXMQYKEDSA-N	-3	3	337.331	-0.259	20	0		EBADHL
CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274937153	379724420	/nfs/dbraw/zinc/72/44/20/379724420.db2.gz	FLGLWRWTBUQCTL-SECBINFHSA-N	-3	3	333.366	-0.007	20	0		EBADHL
Cc1nc(C)c(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)s1	ZINC000275036879	379732196	/nfs/dbraw/zinc/73/21/96/379732196.db2.gz	UXMTXMZAXGXHJA-SECBINFHSA-N	-2	3	347.418	-0.029	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000275143543	379738480	/nfs/dbraw/zinc/73/84/80/379738480.db2.gz	QQRNHNLQNLPMDK-QMMMGPOBSA-N	-2	3	333.322	-0.940	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000275143543	379738484	/nfs/dbraw/zinc/73/84/84/379738484.db2.gz	QQRNHNLQNLPMDK-QMMMGPOBSA-N	-2	3	333.322	-0.940	20	0		EBADHL
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-]	ZINC000278235247	379917268	/nfs/dbraw/zinc/91/72/68/379917268.db2.gz	KVQQGHBQMSQGDT-ZETCQYMHSA-N	-2	3	336.753	-0.045	20	0		EBADHL
Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2c[nH]c(C)n2)C(=O)[O-])n1	ZINC000548209094	380190223	/nfs/dbraw/zinc/19/02/23/380190223.db2.gz	BTBNWIQGEKRYLV-JTQLQIEISA-N	-2	3	327.366	-0.037	20	0		EBADHL
O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl	ZINC000548528542	380213526	/nfs/dbraw/zinc/21/35/26/380213526.db2.gz	GKPUIQUQYROHNK-LURJTMIESA-N	-2	3	336.709	-0.502	20	0		EBADHL
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cncc(Cl)c2)nn1	ZINC000548594544	380217643	/nfs/dbraw/zinc/21/76/43/380217643.db2.gz	IHZLRCXSXSPBMS-UHFFFAOYSA-N	-2	3	331.741	-0.110	20	0		EBADHL
Cc1nc(=NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)s[n-]1	ZINC000362135908	380374568	/nfs/dbraw/zinc/37/45/68/380374568.db2.gz	UIOWWEZYULVMLE-UHFFFAOYSA-N	-2	3	330.395	-0.773	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F	ZINC000287186299	380338421	/nfs/dbraw/zinc/33/84/21/380338421.db2.gz	KQIXXJUPGXAVLG-UHFFFAOYSA-N	-2	3	341.267	-0.421	20	0		EBADHL
COc1cc(F)c(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])cc1OC	ZINC000274970599	380567256	/nfs/dbraw/zinc/56/72/56/380567256.db2.gz	WFFYOGIBRWPCKZ-MRVPVSSYSA-N	-2	3	337.325	-0.043	20	0		EBADHL
CCOC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-]	ZINC000574127749	380700952	/nfs/dbraw/zinc/70/09/52/380700952.db2.gz	HGAZMCSUPQXILE-LURJTMIESA-N	-2	3	338.363	-0.302	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000575023833	380726961	/nfs/dbraw/zinc/72/69/61/380726961.db2.gz	HNTJYFIMWUBUDR-QMMMGPOBSA-N	-3	3	349.292	-0.182	20	0		EBADHL
NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ncccc2[O-])o1	ZINC000341903801	380743730	/nfs/dbraw/zinc/74/37/30/380743730.db2.gz	SQNCQNHTXRUBFZ-UHFFFAOYSA-N	-2	3	340.317	-0.604	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)s1	ZINC000580571417	380796310	/nfs/dbraw/zinc/79/63/10/380796310.db2.gz	IWATYCPDGBIWAI-VXNVDRBHSA-N	-2	3	349.390	-0.131	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@@H]([N-]S(=O)(=O)C[C@@H]2CCCO2)C1=O	ZINC000417445582	380893348	/nfs/dbraw/zinc/89/33/48/380893348.db2.gz	HOTZUHFAQKNKIX-QJPTWQEYSA-N	-2	3	348.421	-0.205	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(=O)n(C)c1=O	ZINC000012647568	381107807	/nfs/dbraw/zinc/10/78/07/381107807.db2.gz	RMRWGLQQLCJUHC-UHFFFAOYSA-N	-2	3	339.329	-0.417	20	0		EBADHL
Cn1nnc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1	ZINC000398106871	381123663	/nfs/dbraw/zinc/12/36/63/381123663.db2.gz	VZIKVTPMUWDZAI-UHFFFAOYSA-N	-2	3	327.322	-0.848	20	0		EBADHL
O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)c1	ZINC000021518218	381140729	/nfs/dbraw/zinc/14/07/29/381140729.db2.gz	AXUPECNBRXTBAJ-ZETCQYMHSA-N	-2	3	325.389	-0.088	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-]	ZINC000584874401	381219164	/nfs/dbraw/zinc/21/91/64/381219164.db2.gz	ZYRLNTCEHDFANM-ZETCQYMHSA-N	-2	3	335.334	-0.258	20	0		EBADHL
CCCc1nc(=NC(=O)C[N-]S(=O)(=O)CCOCC)s[n-]1	ZINC000354070607	382200748	/nfs/dbraw/zinc/20/07/48/382200748.db2.gz	XMAOSIWMDYVMEI-UHFFFAOYSA-N	-2	3	336.439	-0.193	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])c(C)o1	ZINC000278286848	292004802	/nfs/dbraw/zinc/00/48/02/292004802.db2.gz	QHNCOQMKQHCBTP-UHFFFAOYSA-N	-2	3	348.333	-0.756	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)oc1C	ZINC000376739575	292005049	/nfs/dbraw/zinc/00/50/49/292005049.db2.gz	JYHCIPZXKYXXMT-GFCCVEGCSA-N	-2	3	333.318	-0.103	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000316810273	155174988	/nfs/dbraw/zinc/17/49/88/155174988.db2.gz	SYNLBMFTLZHPKU-LLVKDONJSA-N	-2	3	328.346	-0.016	20	0		EBADHL
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000230065952	154166825	/nfs/dbraw/zinc/16/68/25/154166825.db2.gz	FGPCDXYHPWQVBN-QMMMGPOBSA-N	-2	3	339.167	-0.042	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000262055717	154210967	/nfs/dbraw/zinc/21/09/67/154210967.db2.gz	GFRXUUSDOGMYBB-UFBFGSQYSA-N	-2	3	348.402	-0.225	20	0		EBADHL
COC[C@@](C)(NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000262185677	154216358	/nfs/dbraw/zinc/21/63/58/154216358.db2.gz	YBFLLGHVFBUVAY-CVEARBPZSA-N	-2	3	349.343	-0.039	20	0		EBADHL
COCCN(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000262355514	154227350	/nfs/dbraw/zinc/22/73/50/154227350.db2.gz	CFMIHGMGIQYYMP-UHFFFAOYSA-N	-2	3	336.391	-0.414	20	0		EBADHL
CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262524090	154235074	/nfs/dbraw/zinc/23/50/74/154235074.db2.gz	REJUSCIEKJGNMC-CBAPKCEASA-N	-2	3	333.366	-0.062	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NC(C)(C)CCC(=O)[O-])c1	ZINC000262934158	154251485	/nfs/dbraw/zinc/25/14/85/154251485.db2.gz	YEGYEUQREZIHRA-UHFFFAOYSA-N	-2	3	332.382	-0.542	20	0		EBADHL
CO[C@H](CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-]	ZINC000263110443	154254835	/nfs/dbraw/zinc/25/48/35/154254835.db2.gz	PPNDHNQQYRWKAS-LLVKDONJSA-N	-2	3	335.316	-0.704	20	0		EBADHL
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1	ZINC000263146751	154255005	/nfs/dbraw/zinc/25/50/05/154255005.db2.gz	FASCJVSCFQEMRE-ZJUUUORDSA-N	-2	3	344.393	-0.732	20	0		EBADHL
C[C@H](C(=O)[O-])N(C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C1CC1	ZINC000263565900	154259226	/nfs/dbraw/zinc/25/92/26/154259226.db2.gz	WAIDAYJLMCETPB-MRVPVSSYSA-N	-2	3	330.366	-0.838	20	0		EBADHL
COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)OC	ZINC000291806728	155025511	/nfs/dbraw/zinc/02/55/11/155025511.db2.gz	BEOZBDHQGPIMBP-SECBINFHSA-N	-2	3	335.309	-0.010	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(N)=O	ZINC000342976492	156079791	/nfs/dbraw/zinc/07/97/91/156079791.db2.gz	JTQDIDPIESHQDF-ZCFIWIBFSA-N	-2	3	339.370	-0.651	20	0		EBADHL
Cc1noc(=NC([O-])=CSc2nnnn2C2CCOCC2)[n-]1	ZINC000357728715	157171463	/nfs/dbraw/zinc/17/14/63/157171463.db2.gz	JIBBZHRJNICBEJ-UHFFFAOYSA-N	-2	3	325.354	-0.131	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)cn1	ZINC000358388861	157240106	/nfs/dbraw/zinc/24/01/06/157240106.db2.gz	NOXBJKDXEDVQSI-QMMMGPOBSA-N	-2	3	339.381	-0.622	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cn1	ZINC000358388861	157240110	/nfs/dbraw/zinc/24/01/10/157240110.db2.gz	NOXBJKDXEDVQSI-QMMMGPOBSA-N	-2	3	339.381	-0.622	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-]	ZINC000274902505	419325324	/nfs/dbraw/zinc/32/53/24/419325324.db2.gz	IKLKZUXNHFHRIH-SSDOTTSWSA-N	-2	3	348.308	-0.781	20	0		EBADHL
Cn1cc([C@H]([N-]S(=O)(=O)c2c(Cl)cnn2C)C(=O)[O-])cn1	ZINC000227865006	420722790	/nfs/dbraw/zinc/72/27/90/420722790.db2.gz	UUFNJHQOZUANPR-QMMMGPOBSA-N	-2	3	333.757	-0.089	20	0		EBADHL
CC(C)(C)n1nnc(C[N-]S(=O)(=O)N2CCC[C@H]2C(=O)[O-])n1	ZINC000656181474	420882235	/nfs/dbraw/zinc/88/22/35/420882235.db2.gz	YDOWZJKGKOLROB-QMMMGPOBSA-N	-2	3	332.386	-0.689	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000659172814	420993962	/nfs/dbraw/zinc/99/39/62/420993962.db2.gz	NPKGCXVSTWOIPZ-MRTMQBJTSA-N	-2	3	348.402	-0.227	20	0		EBADHL
CCc1nc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])cn1CC1CC1	ZINC000663254053	421128718	/nfs/dbraw/zinc/12/87/18/421128718.db2.gz	ZKEBWIZMRVDEHX-ZDUSSCGKSA-N	-2	3	331.394	-0.031	20	0		EBADHL
O=C([O-])[C@@]1(NC(=O)CC[N-]S(=O)(=O)c2cccs2)CCOC1	ZINC000316110323	421129557	/nfs/dbraw/zinc/12/95/57/421129557.db2.gz	RVGFHCJZYWAETD-GFCCVEGCSA-N	-2	3	348.402	-0.224	20	0		EBADHL
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC1(c2nnn[n-]2)CC1	ZINC000430317703	265148024	/nfs/dbraw/zinc/14/80/24/265148024.db2.gz	IQKJUWQLWKZCEC-UHFFFAOYSA-N	-2	3	341.331	-0.189	20	0		EBADHL
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC1(c2nn[n-]n2)CC1	ZINC000430317703	265148025	/nfs/dbraw/zinc/14/80/25/265148025.db2.gz	IQKJUWQLWKZCEC-UHFFFAOYSA-N	-2	3	341.331	-0.189	20	0		EBADHL
NC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])n1	ZINC000433520823	265192301	/nfs/dbraw/zinc/19/23/01/265192301.db2.gz	JOIMQZQTKFUYRT-UHFFFAOYSA-N	-3	3	340.317	-0.427	20	0		EBADHL
CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1nnn[n-]1	ZINC000434762877	265213673	/nfs/dbraw/zinc/21/36/73/265213673.db2.gz	JEANZHXDYRUZGY-SSDOTTSWSA-N	-2	3	328.354	-0.028	20	0		EBADHL
CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1nn[n-]n1	ZINC000434762877	265213675	/nfs/dbraw/zinc/21/36/75/265213675.db2.gz	JEANZHXDYRUZGY-SSDOTTSWSA-N	-2	3	328.354	-0.028	20	0		EBADHL
CC[C@@H](C)N(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000442738321	265327378	/nfs/dbraw/zinc/32/73/78/265327378.db2.gz	CBIPTCJUWCNKGB-SECBINFHSA-N	-2	3	332.382	-0.590	20	0		EBADHL
CC[C@H](C)N(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000442738322	265327753	/nfs/dbraw/zinc/32/77/53/265327753.db2.gz	CBIPTCJUWCNKGB-VIFPVBQESA-N	-2	3	332.382	-0.590	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])nc1Cl	ZINC000274955476	302919564	/nfs/dbraw/zinc/91/95/64/302919564.db2.gz	IKHOUEGTKSYPKE-RXMQYKEDSA-N	-3	3	325.730	-0.473	20	0		EBADHL
CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c(F)c1	ZINC000316594655	545677502	/nfs/dbraw/zinc/67/75/02/545677502.db2.gz	HKGNPFIUVXCDJV-JTQLQIEISA-N	-2	3	334.325	-0.102	20	0		EBADHL
C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000673507790	546141343	/nfs/dbraw/zinc/14/13/43/546141343.db2.gz	CDYFRSWSDAJWGY-VGMNWLOBSA-N	-2	3	349.347	-0.535	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)co1	ZINC000673544165	546143362	/nfs/dbraw/zinc/14/33/62/546143362.db2.gz	UFKMMARWXSVHNE-UHFFFAOYSA-N	-2	3	328.350	-0.426	20	0		EBADHL
CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000682897048	546342276	/nfs/dbraw/zinc/34/22/76/546342276.db2.gz	CYAXXOZOWREVEV-UHFFFAOYSA-N	-2	3	348.402	-0.310	20	0		EBADHL
COC(=O)c1cc(NC(=O)CN2CC(=O)[N-]C2=O)cc(C(=O)[O-])c1	ZINC000737668169	582644977	/nfs/dbraw/zinc/64/49/77/582644977.db2.gz	TXOUWEBKIXBOKL-UHFFFAOYSA-N	-2	3	335.272	-0.338	20	0		EBADHL
CNC(=O)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000728291126	582672421	/nfs/dbraw/zinc/67/24/21/582672421.db2.gz	HMLGVVQPMNIKKO-UHFFFAOYSA-N	-2	3	339.370	-0.779	20	0		EBADHL
O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)[O-]	ZINC000738206860	582730745	/nfs/dbraw/zinc/73/07/45/582730745.db2.gz	HQPJOPKLZNJTMU-ZETCQYMHSA-N	-3	3	341.305	-0.927	20	0		EBADHL
O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)[O-]	ZINC000738206860	582730747	/nfs/dbraw/zinc/73/07/47/582730747.db2.gz	HQPJOPKLZNJTMU-ZETCQYMHSA-N	-3	3	341.305	-0.927	20	0		EBADHL
O=C(NCc1nnn[n-]1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000732157630	582845424	/nfs/dbraw/zinc/84/54/24/582845424.db2.gz	CAAVVMXTHFQIHO-UHFFFAOYSA-N	-2	3	340.340	-0.291	20	0		EBADHL
O=C(NCc1nn[n-]n1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000732157630	582845426	/nfs/dbraw/zinc/84/54/26/582845426.db2.gz	CAAVVMXTHFQIHO-UHFFFAOYSA-N	-2	3	340.340	-0.291	20	0		EBADHL
CCOCCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000736627445	582948070	/nfs/dbraw/zinc/94/80/70/582948070.db2.gz	VGCHDPOUMGXABO-UHFFFAOYSA-N	-2	3	339.377	-0.108	20	0		EBADHL
CCOCCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000736627445	582948072	/nfs/dbraw/zinc/94/80/72/582948072.db2.gz	VGCHDPOUMGXABO-UHFFFAOYSA-N	-2	3	339.377	-0.108	20	0		EBADHL
CC[C@](C)(NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000736862219	582964265	/nfs/dbraw/zinc/96/42/65/582964265.db2.gz	XOOLLZVWMJXBLC-ZDUSSCGKSA-N	-2	3	346.409	-0.234	20	0		EBADHL
CCN(CCC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000737095016	582989581	/nfs/dbraw/zinc/98/95/81/582989581.db2.gz	LSTPRGPRSGRWOP-UHFFFAOYSA-N	-2	3	332.382	-0.670	20	0		EBADHL
O=C(c1n[nH]c(=O)[n-]1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000738293530	583047293	/nfs/dbraw/zinc/04/72/93/583047293.db2.gz	XHCPHBYOEIFARM-UHFFFAOYSA-N	-2	3	341.335	-0.347	20	0		EBADHL
O=C(c1n[nH]c(=O)[n-]1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000738293530	583047296	/nfs/dbraw/zinc/04/72/96/583047296.db2.gz	XHCPHBYOEIFARM-UHFFFAOYSA-N	-2	3	341.335	-0.347	20	0		EBADHL
CCOc1nc2cc(C(=O)[N-]S(=O)(=O)CC(N)=O)ccc2[n-]1	ZINC000838856669	583058170	/nfs/dbraw/zinc/05/81/70/583058170.db2.gz	RHFWFFQETNROKP-UHFFFAOYSA-N	-2	3	326.334	-0.494	20	0		EBADHL
NC(=O)CO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000772939165	583367852	/nfs/dbraw/zinc/36/78/52/583367852.db2.gz	FBNFPMQCRINUHG-UHFFFAOYSA-N	-2	3	327.771	-0.787	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774920907	583392392	/nfs/dbraw/zinc/39/23/92/583392392.db2.gz	ZTURCAREICCKIG-ZCFIWIBFSA-N	-2	3	332.363	-0.018	20	0		EBADHL
NC(=O)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000776445150	583404426	/nfs/dbraw/zinc/40/44/26/583404426.db2.gz	RZSJEZGEXPNNKM-LURJTMIESA-N	-2	3	342.160	-0.005	20	0		EBADHL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O	ZINC000776495692	583404956	/nfs/dbraw/zinc/40/49/56/583404956.db2.gz	ZNVZAQHARRCOPL-SVRRBLITSA-N	-2	3	335.338	-0.993	20	0		EBADHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000776549710	583405689	/nfs/dbraw/zinc/40/56/89/583405689.db2.gz	DRVFAYDZYNLUTB-SECBINFHSA-N	-2	3	345.377	-0.096	20	0		EBADHL
COc1ccc(C(=O)[N-]C(=O)CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1	ZINC000778954534	583429229	/nfs/dbraw/zinc/42/92/29/583429229.db2.gz	YGVDFOJZCOLAJP-LBPRGKRZSA-N	-2	3	346.343	-0.812	20	0		EBADHL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000788178477	583526635	/nfs/dbraw/zinc/52/66/35/583526635.db2.gz	XIOWYZLKSCVTIF-UHFFFAOYSA-N	-2	3	337.357	-0.276	20	0		EBADHL
CC(C(=O)N(C)C)=S(=O)([O-])N=c1nc(C(F)(F)F)[n-]n1C	ZINC000808554009	583670067	/nfs/dbraw/zinc/67/00/67/583670067.db2.gz	NQDONPTZFGPJEO-RXMQYKEDSA-N	-2	3	329.304	-0.526	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000820542719	583775355	/nfs/dbraw/zinc/77/53/55/583775355.db2.gz	QYZQKUJEYDOQSQ-ONGXEEELSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000820542719	583775356	/nfs/dbraw/zinc/77/53/56/583775356.db2.gz	QYZQKUJEYDOQSQ-ONGXEEELSA-N	-2	3	347.331	-0.054	20	0		EBADHL
CCNC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821286290	583787897	/nfs/dbraw/zinc/78/78/97/583787897.db2.gz	PPSTWVQNVLTRFR-UHFFFAOYSA-N	-2	3	346.319	-0.441	20	0		EBADHL
CCNC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821286290	583787899	/nfs/dbraw/zinc/78/78/99/583787899.db2.gz	PPSTWVQNVLTRFR-UHFFFAOYSA-N	-2	3	346.319	-0.441	20	0		EBADHL
COC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821666074	583800533	/nfs/dbraw/zinc/80/05/33/583800533.db2.gz	XGULWPZCUQRUIE-RXMQYKEDSA-N	-2	3	347.303	-0.015	20	0		EBADHL
COC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821666074	583800535	/nfs/dbraw/zinc/80/05/35/583800535.db2.gz	XGULWPZCUQRUIE-RXMQYKEDSA-N	-2	3	347.303	-0.015	20	0		EBADHL
CO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000821697457	583802603	/nfs/dbraw/zinc/80/26/03/583802603.db2.gz	BBGSOJBPXGUNMW-SSDOTTSWSA-N	-2	3	326.338	-0.789	20	0		EBADHL
CO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000821697457	583802605	/nfs/dbraw/zinc/80/26/05/583802605.db2.gz	BBGSOJBPXGUNMW-SSDOTTSWSA-N	-2	3	326.338	-0.789	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000822645729	583815446	/nfs/dbraw/zinc/81/54/46/583815446.db2.gz	MELMIOZPAPOHFH-UHFFFAOYSA-N	-2	3	338.271	-0.173	20	0		EBADHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000822645729	583815449	/nfs/dbraw/zinc/81/54/49/583815449.db2.gz	MELMIOZPAPOHFH-UHFFFAOYSA-N	-2	3	338.271	-0.173	20	0		EBADHL
O=C([O-])C1(O)CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000823031502	583823113	/nfs/dbraw/zinc/82/31/13/583823113.db2.gz	CIQBORVPTKMNLT-UHFFFAOYSA-N	-2	3	347.331	-0.316	20	0		EBADHL
O=C([O-])C1(O)CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000823031502	583823115	/nfs/dbraw/zinc/82/31/15/583823115.db2.gz	CIQBORVPTKMNLT-UHFFFAOYSA-N	-2	3	347.331	-0.316	20	0		EBADHL
C[C@@H](O)c1cn(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])nn1	ZINC000824707576	583849109	/nfs/dbraw/zinc/84/91/09/583849109.db2.gz	SYAWNBZWTZCQNA-SSDOTTSWSA-N	-2	3	330.308	-0.144	20	0		EBADHL
O=C(CCCN1C(=O)CNC1=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000826406442	583898919	/nfs/dbraw/zinc/89/89/19/583898919.db2.gz	XNWJTTWXUFPVAT-UHFFFAOYSA-N	-2	3	345.319	-0.157	20	0		EBADHL
C[C@@H](CS(=O)(=O)[N-][C@H]1CCCN(c2cnn(C)c2)C1=O)C(=O)[O-]	ZINC000827553885	583923555	/nfs/dbraw/zinc/92/35/55/583923555.db2.gz	RDSXLQWYGDOWAU-ONGXEEELSA-N	-2	3	344.393	-0.444	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c(C)o1	ZINC000828579662	583943022	/nfs/dbraw/zinc/94/30/22/583943022.db2.gz	ORMLIYQECICYQD-MRVPVSSYSA-N	-2	3	331.350	-0.022	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)C[C@H]2CSCCN2C(=O)[O-])n1	ZINC000828699745	583945838	/nfs/dbraw/zinc/94/58/38/583945838.db2.gz	KLJRAUSQFZVBSD-ZETCQYMHSA-N	-2	3	343.365	-0.056	20	0		EBADHL
COC(=O)Cc1nnc(NC(=O)C[C@H]2CSCCN2C(=O)[O-])[n-]1	ZINC000828699745	583945839	/nfs/dbraw/zinc/94/58/39/583945839.db2.gz	KLJRAUSQFZVBSD-ZETCQYMHSA-N	-2	3	343.365	-0.056	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)C[C@H]2CSCCN2C(=O)[O-])n[n-]1	ZINC000828699745	583945841	/nfs/dbraw/zinc/94/58/41/583945841.db2.gz	KLJRAUSQFZVBSD-ZETCQYMHSA-N	-2	3	343.365	-0.056	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000828700127	583945852	/nfs/dbraw/zinc/94/58/52/583945852.db2.gz	PZHPIKYFWAQXDU-MRVPVSSYSA-N	-2	3	341.324	-0.382	20	0		EBADHL
COC(=O)Cc1nnc(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)[n-]1	ZINC000828700127	583945853	/nfs/dbraw/zinc/94/58/53/583945853.db2.gz	PZHPIKYFWAQXDU-MRVPVSSYSA-N	-2	3	341.324	-0.382	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)n[n-]1	ZINC000828700127	583945855	/nfs/dbraw/zinc/94/58/55/583945855.db2.gz	PZHPIKYFWAQXDU-MRVPVSSYSA-N	-2	3	341.324	-0.382	20	0		EBADHL
CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000829211576	583951376	/nfs/dbraw/zinc/95/13/76/583951376.db2.gz	BJLSFQQBLRHDBJ-UHFFFAOYSA-N	-2	3	325.364	-0.001	20	0		EBADHL
CSCC[C@H](NC(=O)[O-])C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000829732175	583957724	/nfs/dbraw/zinc/95/77/24/583957724.db2.gz	UDYZAVKZQIKROA-JGVFFNPUSA-N	-2	3	330.366	-0.862	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)OCCNC(=O)[O-])cn1C	ZINC000830775737	583970747	/nfs/dbraw/zinc/97/07/47/583970747.db2.gz	SCHOPZXENWHVCN-UHFFFAOYSA-N	-2	3	334.354	-0.792	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)OC[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000831041025	583975305	/nfs/dbraw/zinc/97/53/05/583975305.db2.gz	HJMZTKLMNHUOIE-SECBINFHSA-N	-2	3	346.365	-0.759	20	0		EBADHL
Cn1ncc2c1nc(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)[n-]c2=O	ZINC000831055028	583975418	/nfs/dbraw/zinc/97/54/18/583975418.db2.gz	NZDZAYGPYUXABO-QMMMGPOBSA-N	-2	3	337.292	-0.509	20	0		EBADHL
O=C([O-])N1CCO[C@@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)C1	ZINC000831688974	583989675	/nfs/dbraw/zinc/98/96/75/583989675.db2.gz	HRXHMRHQFCMKDB-GFCCVEGCSA-N	-2	3	337.332	-0.383	20	0		EBADHL
COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1	ZINC000831972467	583994177	/nfs/dbraw/zinc/99/41/77/583994177.db2.gz	LMYDFLASUKYWKP-UHFFFAOYSA-N	-3	3	342.337	-0.620	20	0		EBADHL
Cc1cc(N2CC[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C2=O)n(C)n1	ZINC000832890785	584002375	/nfs/dbraw/zinc/00/23/75/584002375.db2.gz	WSQZUDHORWNXST-SCZZXKLOSA-N	-2	3	344.393	-0.526	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1	ZINC000833058577	584003917	/nfs/dbraw/zinc/00/39/17/584003917.db2.gz	YNXMIFGLOLQCBM-SNVBAGLBSA-N	-2	3	332.382	-0.686	20	0		EBADHL
NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)O1	ZINC000833080573	584004468	/nfs/dbraw/zinc/00/44/68/584004468.db2.gz	BKNDQRVUQNPTAX-HTQZYQBOSA-N	-2	3	334.375	-0.243	20	0		EBADHL
O=C([O-])c1ccccc1NC(=O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000833108503	584005787	/nfs/dbraw/zinc/00/57/87/584005787.db2.gz	QGZWUQHZMKPWDD-LLVKDONJSA-N	-2	3	332.316	-0.441	20	0		EBADHL
O=C([O-])c1ccc(NC(=O)CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1	ZINC000833107627	584005864	/nfs/dbraw/zinc/00/58/64/584005864.db2.gz	FVQQOVLIYWIQPL-NSHDSACASA-N	-2	3	332.316	-0.441	20	0		EBADHL
O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1nc2c(s1)CN(C(=O)[O-])CC2	ZINC000834012528	584024105	/nfs/dbraw/zinc/02/41/05/584024105.db2.gz	BJUVAABDGSGAIZ-LURJTMIESA-N	-2	3	339.333	-0.284	20	0		EBADHL
O=C([O-])NC[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CCCCC1	ZINC000834208533	584029515	/nfs/dbraw/zinc/02/95/15/584029515.db2.gz	XXSAJXDWEMCSOF-UWVGGRQHSA-N	-2	3	326.353	-0.083	20	0		EBADHL
O=C([O-])N(CC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccccc1	ZINC000834289693	584030725	/nfs/dbraw/zinc/03/07/25/584030725.db2.gz	NSRUIHKHYYHRSC-LLVKDONJSA-N	-2	3	332.316	-0.066	20	0		EBADHL
CC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1	ZINC000845565100	584112963	/nfs/dbraw/zinc/11/29/63/584112963.db2.gz	VOXPGOAGZHXZJH-UHFFFAOYSA-N	-2	3	339.377	-0.075	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1	ZINC000846494403	584126774	/nfs/dbraw/zinc/12/67/74/584126774.db2.gz	QRXLTVPCLDYLQF-HNNXBMFYSA-N	-2	3	334.332	-0.461	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1	ZINC000846494405	584126860	/nfs/dbraw/zinc/12/68/60/584126860.db2.gz	QRXLTVPCLDYLQF-OAHLLOKOSA-N	-2	3	334.332	-0.461	20	0		EBADHL
O=C([N-]n1c(=O)[n-][nH]c1=O)c1c(Br)nc2n1CCC2	ZINC000854612231	584244622	/nfs/dbraw/zinc/24/46/22/584244622.db2.gz	KGWOYWSAAZKNPO-UHFFFAOYSA-N	-2	3	329.114	-0.022	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC000942570273	653151853	/nfs/dbraw/zinc/15/18/53/653151853.db2.gz	VVFLVMWDVWNTBW-SCZZXKLOSA-N	-2	3	347.379	-0.045	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2cnc[n-]c2=O)c1[O-]	ZINC000949430220	653892480	/nfs/dbraw/zinc/89/24/80/653892480.db2.gz	JUFCPAAGJUDCCD-QMMMGPOBSA-N	-2	3	332.320	-0.436	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC000961576533	723039879	/nfs/dbraw/zinc/03/98/79/723039879.db2.gz	VKQUMAYEJYMITO-VROVMSAKSA-N	-2	3	331.336	-0.825	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]2C1	ZINC001042108606	732319898	/nfs/dbraw/zinc/31/98/98/732319898.db2.gz	DYHXLHCMWPFNFH-ONGXEEELSA-N	-2	3	345.363	-0.258	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001046560958	733965656	/nfs/dbraw/zinc/96/56/56/733965656.db2.gz	CUBYBSIQDNOJBK-AWEZNQCLSA-N	-2	3	333.352	-0.291	20	0		EBADHL
O=C(NC[C@]1(O)CCNC[C@@H]1F)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001219625808	810778050	/nfs/dbraw/zinc/77/80/50/810778050.db2.gz	BUIWMSXMTQCCDL-WCQYABFASA-N	-2	3	348.352	-0.569	20	0		EBADHL
O=[N+]([O-])O[C@H]1CO[C@@H]2[C@H](OCCCCP(=O)([O-])[O-])CO[C@@H]21	ZINC001225018842	811787912	/nfs/dbraw/zinc/78/79/12/811787912.db2.gz	IZVGPWUMBXHLTD-UTINFBMNSA-N	-2	3	327.226	-0.296	20	0		EBADHL
O=C([O-])C[C@@H](O)C(=O)Oc1[n-]c(=O)nc2nc(Br)[n-]c21	ZINC001227594018	811930111	/nfs/dbraw/zinc/93/01/11/811930111.db2.gz	KFHXRYCOJYRYTC-UWTATZPHSA-N	-3	3	347.081	-0.438	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2c1SCC2)[C@@H](O)C(=O)[O-]	ZINC001230791668	812234802	/nfs/dbraw/zinc/23/48/02/812234802.db2.gz	GMAYYRZOHREEJC-MHTLYPKNSA-N	-3	3	344.301	-0.728	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2c1SCC2)[C@@H](O)C(=O)[O-]	ZINC001230791665	812235624	/nfs/dbraw/zinc/23/56/24/812235624.db2.gz	GMAYYRZOHREEJC-CLZZGJSISA-N	-3	3	344.301	-0.728	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)[C@H](O)C(=O)[O-]	ZINC001231076932	812271540	/nfs/dbraw/zinc/27/15/40/812271540.db2.gz	OSKQPJGVKJCFSV-SCZZXKLOSA-N	-3	3	336.260	-0.692	20	0		EBADHL
Cc1ncc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(=O)[n-]1	ZINC001260405444	812832442	/nfs/dbraw/zinc/83/24/42/812832442.db2.gz	ZMCUPHTTZFSYEJ-SECBINFHSA-N	-2	3	325.302	-0.233	20	0		EBADHL
O=C(NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1)c1cnc[n-]c1=O	ZINC001316918040	821917350	/nfs/dbraw/zinc/91/73/50/821917350.db2.gz	NVENRQLJXYZANN-UHFFFAOYSA-N	-2	3	333.352	-0.210	20	0		EBADHL
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCCCP(=O)([O-])[O-]	ZINC001182634106	833249840	/nfs/dbraw/zinc/24/98/40/833249840.db2.gz	RFXAANXYENEXTB-VIFPVBQESA-N	-2	3	340.313	-0.054	20	0		EBADHL
NC(=O)c1cnoc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC001185567858	833361487	/nfs/dbraw/zinc/36/14/87/833361487.db2.gz	GXZXFTSDVCWLLG-UHFFFAOYSA-N	-2	3	335.305	-0.246	20	0		EBADHL
NC(=O)c1cnoc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC001185567858	833361490	/nfs/dbraw/zinc/36/14/90/833361490.db2.gz	GXZXFTSDVCWLLG-UHFFFAOYSA-N	-2	3	335.305	-0.246	20	0		EBADHL
NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1	ZINC001185565735	833361515	/nfs/dbraw/zinc/36/15/15/833361515.db2.gz	CRJYBIOCAHVVTM-UHFFFAOYSA-N	-2	3	346.332	-0.444	20	0		EBADHL
NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1	ZINC001185565735	833361517	/nfs/dbraw/zinc/36/15/17/833361517.db2.gz	CRJYBIOCAHVVTM-UHFFFAOYSA-N	-2	3	346.332	-0.444	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O	ZINC001346307758	843500559	/nfs/dbraw/zinc/50/05/59/843500559.db2.gz	VARORLNVHCIGHG-UHFFFAOYSA-N	-2	3	345.359	-0.133	20	0		EBADHL
COc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1-c1nnn[n-]1	ZINC001570928615	948737449	/nfs/dbraw/zinc/73/74/49/948737449.db2.gz	IIHKRFLTJKXQPN-UHFFFAOYSA-N	-2	3	332.280	-0.483	20	0		EBADHL
O=C(CC[N-]C(=O)C(F)(F)F)COc1cnc(-c2nnn[n-]2)nc1	ZINC001570944242	949410848	/nfs/dbraw/zinc/41/08/48/949410848.db2.gz	KMVZVRNKMOTURQ-UHFFFAOYSA-N	-2	3	345.241	-0.327	20	0		EBADHL
O=C(CC[N-]C(=O)C(F)(F)F)COc1cnc(-c2nn[n-]n2)nc1	ZINC001570944242	949410863	/nfs/dbraw/zinc/41/08/63/949410863.db2.gz	KMVZVRNKMOTURQ-UHFFFAOYSA-N	-2	3	345.241	-0.327	20	0		EBADHL
COC(=O)C[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)C(=O)[O-]	ZINC000379238959	971620981	/nfs/dbraw/zinc/62/09/81/971620981.db2.gz	VFXVNBQAXXZQEK-SNVBAGLBSA-N	-2	3	325.321	-0.136	20	0		EBADHL
O=C([O-])C(=O)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1	ZINC000396724049	951483716	/nfs/dbraw/zinc/48/37/16/951483716.db2.gz	XAALCAAHTSWKIM-UHFFFAOYSA-N	-2	3	329.312	-0.103	20	0		EBADHL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCOCCO	ZINC001594896844	954573836	/nfs/dbraw/zinc/57/38/36/954573836.db2.gz	SXIWKJVBULNSHW-RKDXNWHRSA-N	-2	3	328.287	-0.409	20	0		EBADHL
C[C@H](NC(=O)COCC(=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-]	ZINC001589096112	955988245	/nfs/dbraw/zinc/98/82/45/955988245.db2.gz	UPUVLYSAIONFGD-IUCAKERBSA-N	-2	3	325.321	-0.032	20	0		EBADHL
COC[C@H](O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000071271317	957715919	/nfs/dbraw/zinc/71/59/19/957715919.db2.gz	DDTKBAGFUGADCG-ZCFIWIBFSA-N	-2	3	325.289	-0.051	20	0		EBADHL
CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001594171329	959002967	/nfs/dbraw/zinc/00/29/67/959002967.db2.gz	KOGIZHYWLKDYJK-UHFFFAOYSA-N	-2	3	339.333	-0.014	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CCN(CCS(=O)(=O)CC(=O)[O-])CC2)n1	ZINC001594269108	959780439	/nfs/dbraw/zinc/78/04/39/959780439.db2.gz	JFYGGPDWRACHIJ-UHFFFAOYSA-N	-2	3	344.393	-0.888	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)[C@@H]3CC(C(=O)[O-])=NO3)C2)n1	ZINC001594269063	959781020	/nfs/dbraw/zinc/78/10/20/959781020.db2.gz	HCGSAAGZXHIXKN-WPRPVWTQSA-N	-2	3	335.320	-0.585	20	0		EBADHL
COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001571208473	962429178	/nfs/dbraw/zinc/42/91/78/962429178.db2.gz	RRRUFHJASVCPBS-GMSGAONNSA-N	-2	3	333.318	-0.166	20	0		EBADHL
O=C([O-])CN1CC[C@H](OC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1=O	ZINC001595082068	970294747	/nfs/dbraw/zinc/29/47/47/970294747.db2.gz	NPAOTRXSRDPFAK-JTQLQIEISA-N	-2	3	332.268	-0.588	20	0		EBADHL
CC[C@@H](C(=O)[O-])N(C)C(=O)C[N-]S(=O)(=O)c1c(C)noc1C	ZINC001603492203	973435433	/nfs/dbraw/zinc/43/54/33/973435433.db2.gz	JGHQIROIJPCEKB-VIFPVBQESA-N	-2	3	333.366	-0.109	20	0		EBADHL
CC(C)OC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-]	ZINC001591730850	975701038	/nfs/dbraw/zinc/70/10/38/975701038.db2.gz	LQSNEWDJIWZYBW-LURJTMIESA-N	-3	3	338.363	-0.002	20	0		EBADHL
CCOC(=O)c1nc(CNC(=O)Cc2ccc(C(=O)[O-])nc2)n[n-]1	ZINC001596748920	985080904	/nfs/dbraw/zinc/08/09/04/985080904.db2.gz	NUIMWJMHFQDKJV-UHFFFAOYSA-N	-2	3	333.304	-0.067	20	0		EBADHL
CCOC(=O)c1nnc(CNC(=O)Cc2ccc(C(=O)[O-])nc2)[n-]1	ZINC001596748920	985080914	/nfs/dbraw/zinc/08/09/14/985080914.db2.gz	NUIMWJMHFQDKJV-UHFFFAOYSA-N	-2	3	333.304	-0.067	20	0		EBADHL
CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1(C)C	ZINC001596847977	985566708	/nfs/dbraw/zinc/56/67/08/985566708.db2.gz	WODGPLDLXODHCY-RNCFNFMXSA-N	-2	3	347.393	-0.048	20	0		EBADHL
CS(C)(=O)=NS(=O)(=O)[N-][C@@H](CC1CCOCC1)C(=O)[O-]	ZINC001599781105	992365033	/nfs/dbraw/zinc/36/50/33/992365033.db2.gz	LZRBQUMHAOHASV-VIFPVBQESA-N	-2	3	328.412	-0.182	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CN(C)CCN1C	ZINC001593325219	994864674	/nfs/dbraw/zinc/86/46/74/994864674.db2.gz	IFZBFCIGZLFNGB-SCZZXKLOSA-N	-2	3	331.398	-0.980	20	0		EBADHL
COC(=O)[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])CC1CC1	ZINC001598704005	995261685	/nfs/dbraw/zinc/26/16/85/995261685.db2.gz	UHWUUTKVROLGMS-QMMMGPOBSA-N	-2	3	331.350	-0.025	20	0		EBADHL
COC(=O)c1ncccc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1	ZINC000594691641	377947848	/nfs/dbraw/zinc/94/78/48/377947848.db2.gz	WYORQMPDLYLMPC-GFCCVEGCSA-N	-2	3	330.318	-0.610	20	0		EBADHL
COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-]	ZINC000166493923	379331536	/nfs/dbraw/zinc/33/15/36/379331536.db2.gz	FWDNEXAWPRHRDC-RXMQYKEDSA-N	-3	3	337.331	-0.259	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-][C@H](Cc2cnc[nH]2)C(=O)[O-])c1Cl	ZINC000274908958	379722980	/nfs/dbraw/zinc/72/29/80/379722980.db2.gz	JZLICWYCNFYPMZ-SSDOTTSWSA-N	-2	3	333.757	-0.229	20	0		EBADHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000275008529	379731625	/nfs/dbraw/zinc/73/16/25/379731625.db2.gz	BLKLRPLARSOKLQ-ZETCQYMHSA-N	-2	3	339.167	-0.042	20	0		EBADHL
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])s1	ZINC000275208722	379742039	/nfs/dbraw/zinc/74/20/39/379742039.db2.gz	HMHXHKDQAXGOQF-YFKPBYRVSA-N	-2	3	339.347	-0.733	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)cn1	ZINC000280015734	379968558	/nfs/dbraw/zinc/96/85/58/379968558.db2.gz	OFAMNFCSJGCROS-BDAKNGLRSA-N	-2	3	346.386	-0.207	20	0		EBADHL
CCc1ncc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)s1	ZINC000547564877	380145090	/nfs/dbraw/zinc/14/50/90/380145090.db2.gz	HCNRNILTPFWLHD-QMMMGPOBSA-N	-2	3	347.418	-0.083	20	0		EBADHL
CO[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC000547567686	380145157	/nfs/dbraw/zinc/14/51/57/380145157.db2.gz	CCDSFGCEXLNKHP-SECBINFHSA-N	-2	3	329.290	-0.156	20	0		EBADHL
Cn1cc(C[C@H]([N-]S(=O)(=O)c2cncc(F)c2)C(=O)[O-])cn1	ZINC000547895723	380169858	/nfs/dbraw/zinc/16/98/58/380169858.db2.gz	YGNLPGZCBYGBLJ-NSHDSACASA-N	-2	3	328.325	-0.072	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])c1	ZINC000548208497	380190624	/nfs/dbraw/zinc/19/06/24/380190624.db2.gz	ZOYAQSUCNSVXGI-VIFPVBQESA-N	-2	3	348.308	-0.781	20	0		EBADHL
Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2cn(C)c(C)n2)C(=O)[O-])n1	ZINC000548534501	380213333	/nfs/dbraw/zinc/21/33/33/380213333.db2.gz	HVFZMSCKBGGSOI-NSHDSACASA-N	-2	3	341.393	-0.026	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000358943353	380241044	/nfs/dbraw/zinc/24/10/44/380241044.db2.gz	BTYQYIWOGAHYAR-LURJTMIESA-N	-2	3	331.379	-0.445	20	0		EBADHL
Cc1nc(=NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)s[n-]1	ZINC000362145493	380373905	/nfs/dbraw/zinc/37/39/05/380373905.db2.gz	IMTPSSWCNOVISG-UHFFFAOYSA-N	-2	3	346.166	-0.068	20	0		EBADHL
C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000564920209	380385472	/nfs/dbraw/zinc/38/54/72/380385472.db2.gz	JNESONDHFWSNOM-RXMQYKEDSA-N	-2	3	328.393	-0.447	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1	ZINC000566225056	380456668	/nfs/dbraw/zinc/45/66/68/380456668.db2.gz	RBGDZLMUPZMYIG-CYBMUJFWSA-N	-2	3	327.362	-0.074	20	0		EBADHL
Cn1cnnc1C[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000573729239	380685350	/nfs/dbraw/zinc/68/53/50/380685350.db2.gz	CSBPYVBLIVCGKL-UHFFFAOYSA-N	-2	3	344.324	-0.104	20	0		EBADHL
CC(C)[C@@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)c2cn(C)cn2)C1=O	ZINC000417444716	380893100	/nfs/dbraw/zinc/89/31/00/380893100.db2.gz	DLGOMYVWIBUZPM-ONGXEEELSA-N	-2	3	344.393	-0.592	20	0		EBADHL
CSc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)n[n-]1	ZINC000349579003	381146829	/nfs/dbraw/zinc/14/68/29/381146829.db2.gz	XKKUVPRBWYMDDB-UHFFFAOYSA-N	-2	3	343.456	-0.450	20	0		EBADHL
CC(C)(NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1nnn[n-]1	ZINC000348475776	381373214	/nfs/dbraw/zinc/37/32/14/381373214.db2.gz	FPCGIVOZBLKGLU-UHFFFAOYSA-N	-2	3	325.354	-0.369	20	0		EBADHL
CC(C)(NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1nn[n-]n1	ZINC000348475776	381373222	/nfs/dbraw/zinc/37/32/22/381373222.db2.gz	FPCGIVOZBLKGLU-UHFFFAOYSA-N	-2	3	325.354	-0.369	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c(C)o1	ZINC000263228334	381696977	/nfs/dbraw/zinc/69/69/77/381696977.db2.gz	ANCHRJMPKWXDLV-VIFPVBQESA-N	-2	3	346.361	-0.188	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]c2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)cn1	ZINC000354199327	382216013	/nfs/dbraw/zinc/21/60/13/382216013.db2.gz	FAHOLMCRRQMIMW-LBPRGKRZSA-N	-2	3	349.372	-0.029	20	0		EBADHL
Cn1nccc1S(=O)(=O)[N-]c1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000354217865	382218845	/nfs/dbraw/zinc/21/88/45/382218845.db2.gz	NBLNOKYHMXJQGE-NSHDSACASA-N	-2	3	349.372	-0.029	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274917671	292001767	/nfs/dbraw/zinc/00/17/67/292001767.db2.gz	MEUBTQSVSMCHQK-QMMMGPOBSA-N	-3	3	349.292	-0.182	20	0		EBADHL
COC[C@](C)(NC(=O)C[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000262171293	154217038	/nfs/dbraw/zinc/21/70/38/154217038.db2.gz	NUSLXOJANNPGBE-NSHDSACASA-N	-2	3	336.391	-0.368	20	0		EBADHL
COCC[C@@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000262322853	154224962	/nfs/dbraw/zinc/22/49/62/154224962.db2.gz	SGMGILQRAMOVDS-BZNIZROVSA-N	-2	3	349.343	-0.039	20	0		EBADHL
CCN(CC(=O)[O-])C(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000262458334	154231869	/nfs/dbraw/zinc/23/18/69/154231869.db2.gz	RUWOSBMPYFYAGK-MRVPVSSYSA-N	-2	3	333.366	-0.109	20	0		EBADHL
C[C@]1(c2ccc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000262557804	154237650	/nfs/dbraw/zinc/23/76/50/154237650.db2.gz	XFQLOPZFMUWJSY-MEDUHNTESA-N	-2	3	347.327	-0.333	20	0		EBADHL
O=C([O-])[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)CCO1	ZINC000262926663	154249975	/nfs/dbraw/zinc/24/99/75/154249975.db2.gz	FRVZTBBBXIYYLH-QMMMGPOBSA-N	-2	3	334.375	-0.662	20	0		EBADHL
O=C([O-])[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)CCO1	ZINC000262926656	154250214	/nfs/dbraw/zinc/25/02/14/154250214.db2.gz	FRVZTBBBXIYYLH-MRVPVSSYSA-N	-2	3	334.375	-0.662	20	0		EBADHL
COC[C@@](C)(NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000263006403	154253102	/nfs/dbraw/zinc/25/31/02/154253102.db2.gz	WADATRUCURRPCY-CVEARBPZSA-N	-2	3	349.343	-0.039	20	0		EBADHL
C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000263292459	154257821	/nfs/dbraw/zinc/25/78/21/154257821.db2.gz	YYGTUDODMWHMCG-ZJUUUORDSA-N	-2	3	344.393	-0.590	20	0		EBADHL
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000345522235	156341381	/nfs/dbraw/zinc/34/13/81/156341381.db2.gz	RLOHEDKLWYRRGA-UHFFFAOYSA-N	-2	3	328.292	-0.420	20	0		EBADHL
Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N	ZINC000346154899	156387296	/nfs/dbraw/zinc/38/72/96/156387296.db2.gz	TZYOETLWVRAESJ-UHFFFAOYSA-N	-2	3	345.319	-0.235	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCC(N)=O)c(F)c1	ZINC000360579502	157386680	/nfs/dbraw/zinc/38/66/80/157386680.db2.gz	CIVWNDQLVJBJFP-UHFFFAOYSA-N	-2	3	339.370	-0.649	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CCN1C[C@H](C(=O)[O-])CC1=O	ZINC000170306702	419135101	/nfs/dbraw/zinc/13/51/01/419135101.db2.gz	BMRFOLVCARVQLM-SECBINFHSA-N	-2	3	331.350	-0.497	20	0		EBADHL
CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])c(F)c1	ZINC000320316148	419168557	/nfs/dbraw/zinc/16/85/57/419168557.db2.gz	WEXKUEUZCUZSRI-VIFPVBQESA-N	-2	3	347.324	-0.609	20	0		EBADHL
O=C([O-])[C@H](O)C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000515171298	419978387	/nfs/dbraw/zinc/97/83/87/419978387.db2.gz	NXWXHZVMXPXAMA-SECBINFHSA-N	-2	3	332.309	-0.566	20	0		EBADHL
CN(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)S(C)(=O)=O	ZINC000645952404	420530017	/nfs/dbraw/zinc/53/00/17/420530017.db2.gz	XKFOXWCCPDINOD-UHFFFAOYSA-N	-2	3	340.379	-0.462	20	0		EBADHL
CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000645995133	420532476	/nfs/dbraw/zinc/53/24/76/420532476.db2.gz	XKBMYLPWYAJKKF-UHFFFAOYSA-N	-2	3	343.365	-0.109	20	0		EBADHL
Cn1cnc(CCC[N-]S(=O)(=O)c2scnc2C(=O)[O-])n1	ZINC000646057038	420535654	/nfs/dbraw/zinc/53/56/54/420535654.db2.gz	SHAQFPRUUBOYHV-UHFFFAOYSA-N	-2	3	331.379	-0.119	20	0		EBADHL
C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@@H](C)C(=O)Nc1ncccc1[O-]	ZINC000646202142	420540212	/nfs/dbraw/zinc/54/02/12/420540212.db2.gz	JAXYIDPQWCPKCY-RKDXNWHRSA-N	-2	3	349.347	-0.582	20	0		EBADHL
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000659172012	420993687	/nfs/dbraw/zinc/99/36/87/420993687.db2.gz	AYUGMBUGXIXPQA-OIBJUYFYSA-N	-2	3	334.375	-0.615	20	0		EBADHL
C[C@@]1(c2cccc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])c2)NC(=O)[N-]C1=O	ZINC000659172651	420994054	/nfs/dbraw/zinc/99/40/54/420994054.db2.gz	NGOSLWNZKJASMS-GDLVEWKHSA-N	-2	3	347.327	-0.287	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H](C)CC(=O)[O-])cn1C	ZINC000427731265	265109474	/nfs/dbraw/zinc/10/94/74/265109474.db2.gz	MSMTURWYPQAJQD-MRVPVSSYSA-N	-2	3	332.382	-0.624	20	0		EBADHL
O=C(Nc1ccncc1[O-])[C@H]1CC[C@H](C(=O)Nc2ccncc2[O-])O1	ZINC000427652799	265109557	/nfs/dbraw/zinc/10/95/57/265109557.db2.gz	FVQBAIGWNXLLJW-ZIAGYGMSSA-N	-2	3	344.327	-0.144	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1	ZINC000439193059	265265761	/nfs/dbraw/zinc/26/57/61/265265761.db2.gz	QUHUMBMTGNUNPR-UHFFFAOYSA-N	-2	3	345.333	-0.174	20	0		EBADHL
CC[C@H](C)N(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000442746357	265327296	/nfs/dbraw/zinc/32/72/96/265327296.db2.gz	RPOMWGBFLJLRQX-VIFPVBQESA-N	-2	3	346.409	-0.281	20	0		EBADHL
Cc1[n-][nH]c(=O)c1CCNC(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000522254003	272896024	/nfs/dbraw/zinc/89/60/24/272896024.db2.gz	MQVVRVZDVIPCFN-SECBINFHSA-N	-2	3	344.418	-0.345	20	0		EBADHL
COC(=O)c1sccc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-]	ZINC000035098584	522452813	/nfs/dbraw/zinc/45/28/13/522452813.db2.gz	RINDBLYMTHCLAT-UHFFFAOYSA-N	-2	3	336.347	-0.986	20	0		EBADHL
CO[C@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-]	ZINC000681580472	546307574	/nfs/dbraw/zinc/30/75/74/546307574.db2.gz	MHLBCROFWLDYTO-MRVPVSSYSA-N	-2	3	337.375	-0.532	20	0		EBADHL
CN(C(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(-c2nnn[n-]2)c1	ZINC000736732217	582952053	/nfs/dbraw/zinc/95/20/53/582952053.db2.gz	LMXXYDMOSISWPR-UHFFFAOYSA-N	-2	3	341.331	-0.230	20	0		EBADHL
CN(C(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(-c2nn[n-]n2)c1	ZINC000736732217	582952055	/nfs/dbraw/zinc/95/20/55/582952055.db2.gz	LMXXYDMOSISWPR-UHFFFAOYSA-N	-2	3	341.331	-0.230	20	0		EBADHL
CC[C@@](C)(NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000736862201	582963972	/nfs/dbraw/zinc/96/39/72/582963972.db2.gz	XOOLLZVWMJXBLC-CYBMUJFWSA-N	-2	3	346.409	-0.234	20	0		EBADHL
CC[C@](C)(NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000736861375	582964369	/nfs/dbraw/zinc/96/43/69/582964369.db2.gz	LCKURVSNGZRCIN-LBPRGKRZSA-N	-2	3	332.382	-0.624	20	0		EBADHL
COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000736930590	582975400	/nfs/dbraw/zinc/97/54/00/582975400.db2.gz	FOBSMCAVMMFULC-UHFFFAOYSA-N	-2	3	325.306	-0.901	20	0		EBADHL
COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000736930590	582975402	/nfs/dbraw/zinc/97/54/02/582975402.db2.gz	FOBSMCAVMMFULC-UHFFFAOYSA-N	-2	3	325.306	-0.901	20	0		EBADHL
COC(=O)CN(CC(=O)[O-])CC(=O)N=c1cc[n-]n1[C@H](C)C1CC1	ZINC000737615615	583022169	/nfs/dbraw/zinc/02/21/69/583022169.db2.gz	ORCVXECGFCUWSD-SNVBAGLBSA-N	-2	3	338.364	-0.226	20	0		EBADHL
Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])cc1C(=O)[O-]	ZINC000753771394	583162945	/nfs/dbraw/zinc/16/29/45/583162945.db2.gz	VPNHKESPOHQWJV-UHFFFAOYSA-N	-3	3	348.308	-0.689	20	0		EBADHL
Cn1[n-]c(COC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)nc1=O	ZINC000765496212	583284034	/nfs/dbraw/zinc/28/40/34/583284034.db2.gz	XXFZSVZZWOCOTF-HNNXBMFYSA-N	-2	3	345.315	-0.480	20	0		EBADHL
CN1C(=O)CN([N-]C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1=O	ZINC000770454504	583337181	/nfs/dbraw/zinc/33/71/81/583337181.db2.gz	QQYJUPTWZLXPIQ-UHFFFAOYSA-N	-2	3	344.324	-0.264	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1ccccc1F)OCc1n[nH]c(=O)[n-]1	ZINC000774899930	583391913	/nfs/dbraw/zinc/39/19/13/583391913.db2.gz	CRQVZVVZRHIXPB-UHFFFAOYSA-N	-2	3	330.297	-0.329	20	0		EBADHL
O=C([O-])[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cccc2nonc21	ZINC000776436463	583404078	/nfs/dbraw/zinc/40/40/78/583404078.db2.gz	CXVXWXAMIQRDSM-VIFPVBQESA-N	-2	3	337.317	-0.080	20	0		EBADHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000776445151	583404502	/nfs/dbraw/zinc/40/45/02/583404502.db2.gz	RZSJEZGEXPNNKM-ZCFIWIBFSA-N	-2	3	342.160	-0.005	20	0		EBADHL
O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)nc2sccn21	ZINC000776443007	583404566	/nfs/dbraw/zinc/40/45/66/583404566.db2.gz	BBTNQDYAEZXWIR-SCSAIBSYSA-N	-2	3	325.755	-0.227	20	0		EBADHL
O=C(Cn1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)cn1)NC1CCCCC1	ZINC000820292939	583771233	/nfs/dbraw/zinc/77/12/33/583771233.db2.gz	XOVOEWFJVHPELF-UHFFFAOYSA-N	-2	3	349.351	-0.281	20	0		EBADHL
CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000821388950	583790503	/nfs/dbraw/zinc/79/05/03/583790503.db2.gz	CCFKHJCDECTCFM-MRVPVSSYSA-N	-2	3	340.365	-0.399	20	0		EBADHL
CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000821388950	583790505	/nfs/dbraw/zinc/79/05/05/583790505.db2.gz	CCFKHJCDECTCFM-MRVPVSSYSA-N	-2	3	340.365	-0.399	20	0		EBADHL
CNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821629937	583797033	/nfs/dbraw/zinc/79/70/33/583797033.db2.gz	GXAUHRFEXFPJTE-YFKPBYRVSA-N	-2	3	346.319	-0.442	20	0		EBADHL
CNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821629937	583797034	/nfs/dbraw/zinc/79/70/34/583797034.db2.gz	GXAUHRFEXFPJTE-YFKPBYRVSA-N	-2	3	346.319	-0.442	20	0		EBADHL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000821682541	583801382	/nfs/dbraw/zinc/80/13/82/583801382.db2.gz	IGMVUXZURGHGMF-SSDOTTSWSA-N	-2	3	328.354	-0.700	20	0		EBADHL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000821682541	583801384	/nfs/dbraw/zinc/80/13/84/583801384.db2.gz	IGMVUXZURGHGMF-SSDOTTSWSA-N	-2	3	328.354	-0.700	20	0		EBADHL
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000822903389	583821181	/nfs/dbraw/zinc/82/11/81/583821181.db2.gz	KUXMYQDBAXGENA-UHFFFAOYSA-N	-2	3	328.292	-0.420	20	0		EBADHL
C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2nc3c(cnn3C)c(=O)[n-]2)CCO1	ZINC000825358154	583859387	/nfs/dbraw/zinc/85/93/87/583859387.db2.gz	DPVXFNVKSRQXER-WPRPVWTQSA-N	-2	3	336.352	-0.074	20	0		EBADHL
C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H]1CCCN(C(=O)[O-])C1	ZINC000825458672	583861048	/nfs/dbraw/zinc/86/10/48/583861048.db2.gz	JUUZRCRRKDSGQY-RQJHMYQMSA-N	-2	3	325.325	-0.022	20	0		EBADHL
CCOC(=O)C[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F	ZINC000825518225	583862694	/nfs/dbraw/zinc/86/26/94/583862694.db2.gz	VMZZWNBNXMPCRN-UHFFFAOYSA-N	-2	3	343.340	-0.012	20	0		EBADHL
CCOC(=O)C[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F	ZINC000825518225	583862695	/nfs/dbraw/zinc/86/26/95/583862695.db2.gz	VMZZWNBNXMPCRN-UHFFFAOYSA-N	-2	3	343.340	-0.012	20	0		EBADHL
C[C@@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@H]1CNC(=O)[O-]	ZINC000825914170	583870794	/nfs/dbraw/zinc/87/07/94/583870794.db2.gz	XUSFCJWFGUOFHM-RQJHMYQMSA-N	-2	3	325.325	-0.022	20	0		EBADHL
Cc1[nH]nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1[O-]	ZINC000826321930	583891324	/nfs/dbraw/zinc/89/13/24/583891324.db2.gz	UWRARULYPOIWDV-UHFFFAOYSA-N	-2	3	346.355	-0.386	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1	ZINC000826449998	583902849	/nfs/dbraw/zinc/90/28/49/583902849.db2.gz	SEHXHLUJRLUQRG-VIFPVBQESA-N	-2	3	337.361	-0.037	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1	ZINC000826449998	583902852	/nfs/dbraw/zinc/90/28/52/583902852.db2.gz	SEHXHLUJRLUQRG-VIFPVBQESA-N	-2	3	337.361	-0.037	20	0		EBADHL
CCCCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000829321304	583952465	/nfs/dbraw/zinc/95/24/65/583952465.db2.gz	PVMHCXIZXCRJFF-SNVBAGLBSA-N	-2	3	346.409	-0.152	20	0		EBADHL
CCCn1c(=O)[n-]nc1S(=O)(=O)CCc1cn(CC(=O)[O-])nn1	ZINC000829579635	583954791	/nfs/dbraw/zinc/95/47/91/583954791.db2.gz	JWOJZYTUXGETBU-UHFFFAOYSA-N	-2	3	344.353	-0.914	20	0		EBADHL
Cn1ccnc1-c1cc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)n[n-]1	ZINC000831031706	583975185	/nfs/dbraw/zinc/97/51/85/583975185.db2.gz	UGQRZAGRQPGZBQ-UHFFFAOYSA-N	-2	3	347.335	-0.429	20	0		EBADHL
COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc2nonc21	ZINC000831071635	583975765	/nfs/dbraw/zinc/97/57/65/583975765.db2.gz	DRXQOMDMWJATBL-SSDOTTSWSA-N	-2	3	329.290	-0.483	20	0		EBADHL
Cn1cc(C(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)c(=O)[n-]c1=O	ZINC000833945359	584020303	/nfs/dbraw/zinc/02/03/03/584020303.db2.gz	PPHAFJNVGHTPDA-IQJOONFLSA-N	-2	3	336.348	-0.006	20	0		EBADHL
O=C([O-])N1CCO[C@H](CC(=O)Nc2nc(SCCO)n[n-]2)C1	ZINC000833987158	584023125	/nfs/dbraw/zinc/02/31/25/584023125.db2.gz	HEJGUAGHLSTHHW-SSDOTTSWSA-N	-2	3	331.354	-0.404	20	0		EBADHL
O=C([O-])N1CCO[C@H](CC(=O)Nc2n[n-]c(SCCO)n2)C1	ZINC000833987158	584023126	/nfs/dbraw/zinc/02/31/26/584023126.db2.gz	HEJGUAGHLSTHHW-SSDOTTSWSA-N	-2	3	331.354	-0.404	20	0		EBADHL
O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1	ZINC000834289488	584030648	/nfs/dbraw/zinc/03/06/48/584030648.db2.gz	MSVWFRVNFIQDPK-VWYCJHECSA-N	-2	3	338.364	-0.035	20	0		EBADHL
O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CC1	ZINC000834291428	584030882	/nfs/dbraw/zinc/03/08/82/584030882.db2.gz	YUWMUESCUWBDIL-VHSXEESVSA-N	-2	3	336.348	-0.471	20	0		EBADHL
CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCOC1	ZINC000851017951	584191229	/nfs/dbraw/zinc/19/12/29/584191229.db2.gz	ZMNDEAXNZIWUOT-PRHODGIISA-N	-2	3	340.361	-0.186	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@H](CC(=O)[O-])C2CC2)c1	ZINC000851704821	584200792	/nfs/dbraw/zinc/20/07/92/584200792.db2.gz	COLMGSGZGAWHJS-JTQLQIEISA-N	-2	3	344.393	-0.685	20	0		EBADHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCCN2C(=O)CNC2=O)o1	ZINC000740175777	599869201	/nfs/dbraw/zinc/86/92/01/599869201.db2.gz	YZYJMLJHAASMKE-UHFFFAOYSA-N	-2	3	331.306	-0.802	20	0		EBADHL
O=C([O-])N1CCN(CC(=O)Nc2n[n-]c(-c3ccccn3)n2)C(=O)C1	ZINC000740371094	603020208	/nfs/dbraw/zinc/02/02/08/603020208.db2.gz	MFKCKRVBBDLHDN-UHFFFAOYSA-N	-2	3	345.319	-0.373	20	0		EBADHL
O=C([O-])N1CC(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1	ZINC000740386328	604760749	/nfs/dbraw/zinc/76/07/49/604760749.db2.gz	AGTVFZVWURPDNQ-UHFFFAOYSA-N	-2	3	347.125	-0.810	20	0		EBADHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000065832756	649964115	/nfs/dbraw/zinc/96/41/15/649964115.db2.gz	ZSLKAOFNMVSNHC-UHFFFAOYSA-N	-2	3	325.354	-0.435	20	0		EBADHL
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@H]1NC(=O)c1ncccc1[O-]	ZINC000941988855	653013549	/nfs/dbraw/zinc/01/35/49/653013549.db2.gz	INLYSOLUGTTXIP-GHMZBOCLSA-N	-2	3	346.391	-0.151	20	0		EBADHL
C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cnc[n-]c1=O	ZINC000942168235	653051650	/nfs/dbraw/zinc/05/16/50/653051650.db2.gz	OZTMXAJMPHBJHQ-PSASIEDQSA-N	-2	3	333.352	-0.354	20	0		EBADHL
CN(C(=O)c1ccccc1[O-])C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000953762772	654620624	/nfs/dbraw/zinc/62/06/24/654620624.db2.gz	PCHVAHYKEFCLRY-UHFFFAOYSA-N	-2	3	345.315	-0.415	20	0		EBADHL
C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1ncccc1[O-]	ZINC000965940118	724543990	/nfs/dbraw/zinc/54/39/90/724543990.db2.gz	CDZLNOKNXFIYDQ-WDEREUQCSA-N	-2	3	346.391	-0.151	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)c1[O-]	ZINC000966532456	724674726	/nfs/dbraw/zinc/67/47/26/724674726.db2.gz	XUQJLFBBIIRYKF-XCBNKYQSSA-N	-2	3	346.347	-0.190	20	0		EBADHL
O=C(N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1)c1ccc2oc(=O)nc-2[n-]1	ZINC001022969939	729566525	/nfs/dbraw/zinc/56/65/25/729566525.db2.gz	RRBUGMAHYAAFSW-KNVOCYPGSA-N	-2	3	345.319	-0.197	20	0		EBADHL
O=C(NC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1)c1cnc[n-]c1=O	ZINC001024500803	729894960	/nfs/dbraw/zinc/89/49/60/729894960.db2.gz	VQBNBPJJDFCCLO-SECBINFHSA-N	-2	3	333.352	-0.210	20	0		EBADHL
O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1nnc2ccccc2c1[O-]	ZINC001031035332	730666789	/nfs/dbraw/zinc/66/67/89/730666789.db2.gz	OYSIRQBASAJINK-UHFFFAOYSA-N	-2	3	341.331	-0.227	20	0		EBADHL
C[C@@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)CN1Cc1n[nH]c(=O)[n-]1	ZINC001071600518	741175509	/nfs/dbraw/zinc/17/55/09/741175509.db2.gz	LZDPDQHHCPSUJQ-RKDXNWHRSA-N	-2	3	333.352	-0.211	20	0		EBADHL
Cc1[nH]nc(C(=O)N2C[C@@H](CNCc3n[nH]c(=O)[n-]3)C[C@@H]2C)c1[O-]	ZINC000980511590	805919861	/nfs/dbraw/zinc/91/98/61/805919861.db2.gz	GUGNJZFJFLVCHM-IONNQARKSA-N	-2	3	335.368	-0.112	20	0		EBADHL
CC(C)C(=O)[N-][N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000024363956	803742054	/nfs/dbraw/zinc/74/20/54/803742054.db2.gz	BKQCWVOACKVEGP-UHFFFAOYSA-N	-2	3	349.434	-0.098	20	0		EBADHL
Nc1nc2c(ncn2CC(=O)NCCCCP(=O)([O-])[O-])c(=O)[nH]1	ZINC001220375612	811079178	/nfs/dbraw/zinc/07/91/78/811079178.db2.gz	ZJBLEINJXMIIIN-UHFFFAOYSA-N	-2	3	344.268	-0.812	20	0		EBADHL
O=P([O-])([O-])CCO[C@H](C[n+]1ccccc1)CS(=O)(=O)[O-]	ZINC001224603241	811766741	/nfs/dbraw/zinc/76/67/41/811766741.db2.gz	WOECJHXXBAKRCN-SNVBAGLBSA-O	-2	3	326.287	-0.575	20	0		EBADHL
C[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OCCP(=O)([O-])[O-]	ZINC001224606344	811767906	/nfs/dbraw/zinc/76/79/06/811767906.db2.gz	OOVQZJKGJSMCGL-MRVPVSSYSA-N	-2	3	346.280	-0.984	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=S)nc2[nH]ccc21)[C@@H](O)C(=O)[O-]	ZINC001228529249	811985931	/nfs/dbraw/zinc/98/59/31/811985931.db2.gz	SGAAEMDKDBTITN-IYSWYEEDSA-N	-3	3	341.301	-0.312	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1cc2c(cc1[O-])CCC2=O)[C@H](O)C(=O)[O-]	ZINC001228855766	812001015	/nfs/dbraw/zinc/00/10/15/812001015.db2.gz	QGNJPQBFWAYABC-SDBXPKJASA-N	-3	3	338.268	-0.037	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001088006918	816602937	/nfs/dbraw/zinc/60/29/37/816602937.db2.gz	KFIYHUGIQLHRFN-ZJUUUORDSA-N	-2	3	345.363	-0.400	20	0		EBADHL
CCOC(=O)N[C@@H](CC(N)=O)C(=O)NCCCCP(=O)([O-])[O-]	ZINC001185876116	833373624	/nfs/dbraw/zinc/37/36/24/833373624.db2.gz	ZDDIWMSSXQERLH-QMMMGPOBSA-N	-2	3	339.285	-0.949	20	0		EBADHL
C[C@H]1[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C(=O)N1S(=O)(=O)[O-]	ZINC001144632834	830167502	/nfs/dbraw/zinc/16/75/02/830167502.db2.gz	RSYJCDQEYFDBRN-KGFZYKRKSA-N	-2	3	332.309	-0.408	20	0		EBADHL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cccc([O-])c1F	ZINC001212546815	837706468	/nfs/dbraw/zinc/70/64/68/837706468.db2.gz	WYRXXMLWASXHDE-UHFFFAOYSA-N	-2	3	331.285	-0.458	20	0		EBADHL
O=S(=O)([O-])C[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC001196180499	835362721	/nfs/dbraw/zinc/36/27/21/835362721.db2.gz	MRNMBTUEKFMDDG-UHFFFAOYSA-N	-2	3	331.169	-0.032	20	0		EBADHL
C[C@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001573623398	947684847	/nfs/dbraw/zinc/68/48/47/947684847.db2.gz	FHNZLNZRVNEXNY-SFYZADRCSA-N	-2	3	344.339	-0.536	20	0		EBADHL
O=C([O-])CN1CC[C@H](OC(=O)CNC(=O)c2ccc([O-])cc2)C1=O	ZINC001595080486	951672128	/nfs/dbraw/zinc/67/21/28/951672128.db2.gz	BNJSEWVXKHEAFS-NSHDSACASA-N	-2	3	336.300	-0.649	20	0		EBADHL
O=C([O-])CN1CCC[C@@H](C(=O)Nc2n[n-]c(SCCO)n2)C1=O	ZINC001595087277	951744530	/nfs/dbraw/zinc/74/45/30/951744530.db2.gz	LTUHAKZWODYSBJ-ZETCQYMHSA-N	-2	3	343.365	-0.849	20	0		EBADHL
O=C([O-])CN1CCC[C@H](C(=O)Nc2n[n-]c(SCCO)n2)C1=O	ZINC001595087276	951744592	/nfs/dbraw/zinc/74/45/92/951744592.db2.gz	LTUHAKZWODYSBJ-SSDOTTSWSA-N	-2	3	343.365	-0.849	20	0		EBADHL
O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c1F	ZINC000392300642	972466760	/nfs/dbraw/zinc/46/67/60/972466760.db2.gz	IVNILQKZYMBYGZ-UHFFFAOYSA-N	-3	3	349.271	-0.140	20	0		EBADHL
O=C([O-])c1cnc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)nc1	ZINC001571185850	962203457	/nfs/dbraw/zinc/20/34/57/962203457.db2.gz	XHQPJUPONBBYNM-KKZNHRDASA-N	-2	3	329.320	-0.167	20	0		EBADHL
COC(=O)[C@@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCOC1	ZINC001571207890	962421144	/nfs/dbraw/zinc/42/11/44/962421144.db2.gz	GXSDOPMQZVESOB-GFCCVEGCSA-N	-2	3	333.318	-0.164	20	0		EBADHL
COCC[C@]1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCOC1	ZINC001571211240	962454862	/nfs/dbraw/zinc/45/48/62/962454862.db2.gz	XRYXGMUBSCKHLU-LBPRGKRZSA-N	-2	3	333.366	-0.110	20	0		EBADHL
Cn1cnnc1S(=O)(=O)[N-]C[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001605528258	973710415	/nfs/dbraw/zinc/71/04/15/973710415.db2.gz	ALTCEUIXAYPGRX-NBBOBHDQSA-N	-2	3	330.366	-0.494	20	0		EBADHL
COc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c([O-])c1	ZINC001604762842	973980167	/nfs/dbraw/zinc/98/01/67/973980167.db2.gz	YPKHODFFHICZCB-JTQLQIEISA-N	-2	3	329.330	-0.275	20	0		EBADHL
CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1nc(=O)n(C)[n-]1	ZINC001596326977	983761475	/nfs/dbraw/zinc/76/14/75/983761475.db2.gz	OIYHUCFNVKOGQZ-ZJUUUORDSA-N	-2	3	325.369	-0.843	20	0		EBADHL
CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001596859378	985614434	/nfs/dbraw/zinc/61/44/34/985614434.db2.gz	BGXNZPFYRRWBQS-RKDXNWHRSA-N	-2	3	333.366	-0.111	20	0		EBADHL
CC(C)([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)[C@H](O)C(=O)[O-]	ZINC001590879141	990790901	/nfs/dbraw/zinc/79/09/01/990790901.db2.gz	MDBPVPDDNKZHML-SECBINFHSA-N	-2	3	348.308	-0.237	20	0		EBADHL
CN(CCN(C)c1ccnc(C(=O)[O-])n1)C(=O)c1cnc[n-]c1=O	ZINC001598484892	992192562	/nfs/dbraw/zinc/19/25/62/992192562.db2.gz	KPKTVDIHVXHNNV-UHFFFAOYSA-N	-2	3	332.320	-0.121	20	0		EBADHL
CN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@@H](C(=O)[O-])C1	ZINC001598603298	993600270	/nfs/dbraw/zinc/60/02/70/993600270.db2.gz	DYNVSCZZSGGMNZ-QMMMGPOBSA-N	-2	3	339.314	-0.082	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H]1CN(C)CCN1C	ZINC001593325220	994864514	/nfs/dbraw/zinc/86/45/14/994864514.db2.gz	IFZBFCIGZLFNGB-WCBMZHEXSA-N	-2	3	331.398	-0.980	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H](C)N1CCOCC1	ZINC001593325789	994868330	/nfs/dbraw/zinc/86/83/30/994868330.db2.gz	LPKPWBQSFJWXCN-RKDXNWHRSA-N	-2	3	332.382	-0.505	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@@H]1CN(C)CCN1C	ZINC001593348193	994964027	/nfs/dbraw/zinc/96/40/27/994964027.db2.gz	YQOACXBZZZETEJ-IUCAKERBSA-N	-2	3	348.450	-0.246	20	0		EBADHL
COC(=O)[C@@H]1CN(Cc2nc3c(c(=O)[n-]2)COCC3)C[C@@H]1C(=O)[O-]	ZINC001598826172	996384812	/nfs/dbraw/zinc/38/48/12/996384812.db2.gz	MSGLYXHEKHXAGN-DTWKUNHWSA-N	-2	3	337.332	-0.440	20	0		EBADHL
COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001599150790	998294766	/nfs/dbraw/zinc/29/47/66/998294766.db2.gz	FBWKMWIYFKEXJV-NSHDSACASA-N	-2	3	335.338	-0.646	20	0		EBADHL
CO[C@@H](CS(=O)(=O)[N-]c1n[n-]c(CC(=O)[O-])n1)[C@@H]1CCOC1	ZINC001599060593	999262340	/nfs/dbraw/zinc/26/23/40/999262340.db2.gz	VHHKBAHILZAAFQ-SFYZADRCSA-N	-3	3	334.354	-0.775	20	0		EBADHL
C[C@@]12CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]1CN(C(=O)c1cnc[n-]c1=O)C2	ZINC001091770866	1128154426	/nfs/dbraw/zinc/15/44/26/1128154426.db2.gz	OUNGVJRBGRGVPK-PSLIRLAXSA-N	-2	3	345.363	-0.400	20	0		EBADHL
Cc1cc(C(=O)N2CCN(CCO)C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC001412224551	1129483852	/nfs/dbraw/zinc/48/38/52/1129483852.db2.gz	BRPOSKWVECDIPW-JTQLQIEISA-N	-2	3	347.375	-0.117	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2nnn[n-]2)CC(C)C)o1	ZINC001413505035	1130114105	/nfs/dbraw/zinc/11/41/05/1130114105.db2.gz	PUIITLVEVIURKA-UHFFFAOYSA-N	-2	3	342.381	-0.001	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2nn[n-]n2)CC(C)C)o1	ZINC001413505035	1130114106	/nfs/dbraw/zinc/11/41/06/1130114106.db2.gz	PUIITLVEVIURKA-UHFFFAOYSA-N	-2	3	342.381	-0.001	20	0		EBADHL
COC(=O)C(NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)=C(C)[O-]	ZINC001260218273	1130542815	/nfs/dbraw/zinc/54/28/15/1130542815.db2.gz	ARDAQXLLZZEOSF-SNVBAGLBSA-N	-2	3	333.293	-0.067	20	0		EBADHL
COC(=O)C(NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)=C(C)[O-]	ZINC001260218272	1130543016	/nfs/dbraw/zinc/54/30/16/1130543016.db2.gz	ARDAQXLLZZEOSF-JTQLQIEISA-N	-2	3	333.293	-0.067	20	0		EBADHL
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c1	ZINC000036969026	375963477	/nfs/dbraw/zinc/96/34/77/375963477.db2.gz	VXVIUTUKKQSGKI-MRVPVSSYSA-N	-2	3	337.737	-0.150	20	0		EBADHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-]	ZINC000044242874	376109310	/nfs/dbraw/zinc/10/93/10/376109310.db2.gz	GHXMUPLTCVSNLT-XNCJUZBTSA-N	-2	3	339.167	-0.044	20	0		EBADHL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]Cc1nocc1C(=O)[O-]	ZINC000594572308	377943670	/nfs/dbraw/zinc/94/36/70/377943670.db2.gz	YQLBMYYDBOXFEO-JTQLQIEISA-N	-2	3	347.349	-0.265	20	0		EBADHL
CN(C)c1nc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc(=O)[n-]1	ZINC000338729748	378810295	/nfs/dbraw/zinc/81/02/95/378810295.db2.gz	PPQSPXNNYJLQNS-UHFFFAOYSA-N	-2	3	327.326	-0.978	20	0		EBADHL
CN(C)c1nc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc(=O)[n-]1	ZINC000338729748	378810303	/nfs/dbraw/zinc/81/03/03/378810303.db2.gz	PPQSPXNNYJLQNS-UHFFFAOYSA-N	-2	3	327.326	-0.978	20	0		EBADHL
CN(C)c1nc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc(=O)[n-]1	ZINC000338729748	378810308	/nfs/dbraw/zinc/81/03/08/378810308.db2.gz	PPQSPXNNYJLQNS-UHFFFAOYSA-N	-2	3	327.326	-0.978	20	0		EBADHL
C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCc3nc(=O)o[n-]3)cn21	ZINC000563609370	379050604	/nfs/dbraw/zinc/05/06/04/379050604.db2.gz	CZDDXJPZPDSPQI-QMMMGPOBSA-N	-2	3	327.366	-0.022	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)[N-]OCc2cccnc2)c1	ZINC000269534628	379380494	/nfs/dbraw/zinc/38/04/94/379380494.db2.gz	AATGTFPELWDWSR-UHFFFAOYSA-N	-2	3	325.350	-0.659	20	0		EBADHL
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000274960774	379726763	/nfs/dbraw/zinc/72/67/63/379726763.db2.gz	UYSUIJMJCLXCOK-ZETCQYMHSA-N	-2	3	339.167	-0.042	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])oc1C	ZINC000274955504	379726953	/nfs/dbraw/zinc/72/69/53/379726953.db2.gz	ILMGAULYHKHAIX-SSDOTTSWSA-N	-3	3	349.317	-0.172	20	0		EBADHL
COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-]	ZINC000547547409	380143523	/nfs/dbraw/zinc/14/35/23/380143523.db2.gz	AEMXVUMIJFURNR-SCSAIBSYSA-N	-3	3	338.319	-0.864	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1	ZINC000547869818	380166547	/nfs/dbraw/zinc/16/65/47/380166547.db2.gz	XOMIRFZZRGETPO-UHFFFAOYSA-N	-2	3	341.267	-0.421	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-]	ZINC000547879426	380168140	/nfs/dbraw/zinc/16/81/40/380168140.db2.gz	CESJYFRMKFEHLH-ZCFIWIBFSA-N	-2	3	348.333	-0.765	20	0		EBADHL
CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC000564919988	380384136	/nfs/dbraw/zinc/38/41/36/380384136.db2.gz	XJRSSEVGVBWOTB-UHFFFAOYSA-N	-2	3	337.379	-0.789	20	0		EBADHL
COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])s1	ZINC000566490217	380474841	/nfs/dbraw/zinc/47/48/41/380474841.db2.gz	HMHXHKDQAXGOQF-RXMQYKEDSA-N	-2	3	339.347	-0.733	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-][C@H](Cc2c[nH]cn2)C(=O)[O-])nc1C	ZINC000315244754	380578093	/nfs/dbraw/zinc/57/80/93/380578093.db2.gz	MVRDMDPZOREKKE-SNVBAGLBSA-N	-2	3	327.366	-0.091	20	0		EBADHL
COc1ccc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c(F)c1	ZINC000576086285	380755367	/nfs/dbraw/zinc/75/53/67/380755367.db2.gz	SSSWQAPJXPHYNC-UHFFFAOYSA-N	-2	3	344.324	-0.011	20	0		EBADHL
O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1n[nH]c(=O)[n-]1	ZINC000577966739	380865176	/nfs/dbraw/zinc/86/51/76/380865176.db2.gz	HEUOREDDDCMNAB-UHFFFAOYSA-N	-2	3	347.303	-0.503	20	0		EBADHL
C[C@@](O)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)[O-]	ZINC000577751720	380841947	/nfs/dbraw/zinc/84/19/47/380841947.db2.gz	QFEDULFFTSXBMB-BDJLRTHQSA-N	-2	3	336.344	-0.051	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F	ZINC000578036501	380879060	/nfs/dbraw/zinc/87/90/60/380879060.db2.gz	FWGFKLCECMQGCV-MRVPVSSYSA-N	-2	3	328.337	-0.068	20	0		EBADHL
C[C@@](O)(C[N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-]	ZINC000090277070	380925267	/nfs/dbraw/zinc/92/52/67/380925267.db2.gz	ZKAHRUIUTIKHHR-SECBINFHSA-N	-2	3	339.167	-0.042	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])cc1F	ZINC000580931921	381044835	/nfs/dbraw/zinc/04/48/35/381044835.db2.gz	OSISPQJXQAZNEP-SNVBAGLBSA-N	-2	3	335.309	-0.274	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1(c2nnn[n-]2)CC1	ZINC000348275261	381353046	/nfs/dbraw/zinc/35/30/46/381353046.db2.gz	JGIMVWWHLHFINX-ZETCQYMHSA-N	-2	3	342.406	-0.267	20	0		EBADHL
O=C(COCC(=O)NCc1ncccc1[O-])NCc1ncccc1[O-]	ZINC000352500570	381990735	/nfs/dbraw/zinc/99/07/35/381990735.db2.gz	KMRQDQUSOAROQK-UHFFFAOYSA-N	-2	3	346.343	-0.163	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)N1CCOCC1	ZINC000318089275	155177215	/nfs/dbraw/zinc/17/72/15/155177215.db2.gz	YCQHLTDMWVWPPK-QMMMGPOBSA-N	-2	3	348.402	-0.028	20	0		EBADHL
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCC(=O)[O-]	ZINC000262400014	154230387	/nfs/dbraw/zinc/23/03/87/154230387.db2.gz	QXFRDQBFMCFRMT-UHFFFAOYSA-N	-2	3	336.391	-0.310	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000262683771	154243253	/nfs/dbraw/zinc/24/32/53/154243253.db2.gz	UIEDJOWMNYHSDQ-SECBINFHSA-N	-2	3	330.366	-0.978	20	0		EBADHL
O=C([O-])[C@@H]1CN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CCO1	ZINC000263051225	154252927	/nfs/dbraw/zinc/25/29/27/154252927.db2.gz	WYLQVLLWFSQKLD-LBPRGKRZSA-N	-2	3	347.327	-0.608	20	0		EBADHL
CO[C@@H](CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000263137970	154254970	/nfs/dbraw/zinc/25/49/70/154254970.db2.gz	UQAMGLNRGGIQGG-BONVTDFDSA-N	-2	3	335.316	-0.429	20	0		EBADHL
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000653317061	419189713	/nfs/dbraw/zinc/18/97/13/419189713.db2.gz	IRRSZWFOIJAOJB-RKDXNWHRSA-N	-2	3	330.366	-0.838	20	0		EBADHL
CC[C@@H](C(=O)[O-])N(C)C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000653340460	419252919	/nfs/dbraw/zinc/25/29/19/419252919.db2.gz	JSMGOUFIYFVYEB-JTQLQIEISA-N	-2	3	346.409	-0.281	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NC2(CC(=O)[O-])CCC2)cn1C	ZINC000653322416	419200137	/nfs/dbraw/zinc/20/01/37/419200137.db2.gz	UCGHPPKICNIBMF-UHFFFAOYSA-N	-2	3	344.393	-0.480	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000659243369	420993629	/nfs/dbraw/zinc/99/36/29/420993629.db2.gz	SUDLSJVSFZHTEV-HGNGGELXSA-N	-2	3	345.377	-0.062	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC2(C(=O)[O-])CCC2)c1	ZINC000659784172	421031904	/nfs/dbraw/zinc/03/19/04/421031904.db2.gz	FBGJSMOYOMCRRT-UHFFFAOYSA-N	-2	3	330.366	-0.931	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1	ZINC000663152719	421127203	/nfs/dbraw/zinc/12/72/03/421127203.db2.gz	HJGKZVAIXLMMGL-SNVBAGLBSA-N	-2	3	344.393	-0.685	20	0		EBADHL
CCc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)cn1CC1CC1	ZINC000663287016	421128238	/nfs/dbraw/zinc/12/82/38/421128238.db2.gz	VIRZEWWMUVRDNI-PELKAZGASA-N	-2	3	331.394	-0.032	20	0		EBADHL
Cc1cc(S(=O)(=O)[N-]CCCS(C)(=O)=O)oc1C(=O)[O-]	ZINC000663420245	421129410	/nfs/dbraw/zinc/12/94/10/421129410.db2.gz	YBVLAACJTYNCKK-UHFFFAOYSA-N	-2	3	325.364	-0.001	20	0		EBADHL
O=C([O-])[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)CCS1(=O)=O	ZINC000424396061	265059767	/nfs/dbraw/zinc/05/97/67/265059767.db2.gz	BJELDGCYJPDMMA-NSHDSACASA-N	-2	3	346.336	-0.076	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c(C)o1	ZINC000434393139	265200931	/nfs/dbraw/zinc/20/09/31/265200931.db2.gz	GGRALKXPXHIHJX-UHFFFAOYSA-N	-2	3	343.365	-0.318	20	0		EBADHL
CS(=O)(=O)[N-]c1cc(C(=O)NCCc2nc(=O)o[n-]2)ccc1F	ZINC000447631716	265375497	/nfs/dbraw/zinc/37/54/97/265375497.db2.gz	ZEEKTUFZPTYNTF-UHFFFAOYSA-N	-2	3	344.324	-0.154	20	0		EBADHL
C[C@]1(c2cccc(C(=O)NCCc3nc(=O)o[n-]3)c2)NC(=O)[N-]C1=O	ZINC000447635326	265375533	/nfs/dbraw/zinc/37/55/33/265375533.db2.gz	ZIPJSLFPYBPLER-OAHLLOKOSA-N	-2	3	345.315	-0.610	20	0		EBADHL
NC(=O)CC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000364422949	303248008	/nfs/dbraw/zinc/24/80/08/303248008.db2.gz	VTTXHZMDQOGPCO-QMMMGPOBSA-N	-2	3	330.366	-0.784	20	0		EBADHL
Cc1c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)coc1C(=O)N(C)C	ZINC000650419110	545684808	/nfs/dbraw/zinc/68/48/08/545684808.db2.gz	LJXIVDIFSUVEAQ-CYBMUJFWSA-N	-2	3	346.361	-0.188	20	0		EBADHL
O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1sccc1-c1nnn[n-]1	ZINC000738139097	582692625	/nfs/dbraw/zinc/69/26/25/582692625.db2.gz	KQNDKVYOWKHYHR-ZCFIWIBFSA-N	-2	3	329.363	-0.223	20	0		EBADHL
O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1sccc1-c1nn[n-]n1	ZINC000738139097	582692627	/nfs/dbraw/zinc/69/26/27/582692627.db2.gz	KQNDKVYOWKHYHR-ZCFIWIBFSA-N	-2	3	329.363	-0.223	20	0		EBADHL
Cn1cc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1	ZINC000737603592	583020230	/nfs/dbraw/zinc/02/02/30/583020230.db2.gz	LZQNWJUAPBLCQB-UHFFFAOYSA-N	-2	3	347.360	-0.352	20	0		EBADHL
Cn1cc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1	ZINC000737603592	583020231	/nfs/dbraw/zinc/02/02/31/583020231.db2.gz	LZQNWJUAPBLCQB-UHFFFAOYSA-N	-2	3	347.360	-0.352	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Oc1ccc(-c2nnn[n-]2)cc1	ZINC000737982044	583037034	/nfs/dbraw/zinc/03/70/34/583037034.db2.gz	MNYZLYRCAUZTBR-UHFFFAOYSA-N	-2	3	338.287	-0.143	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Oc1ccc(-c2nn[n-]n2)cc1	ZINC000737982044	583037036	/nfs/dbraw/zinc/03/70/36/583037036.db2.gz	MNYZLYRCAUZTBR-UHFFFAOYSA-N	-2	3	338.287	-0.143	20	0		EBADHL
O=C(c1cc(=O)[nH][n-]1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1	ZINC000738297100	583047734	/nfs/dbraw/zinc/04/77/34/583047734.db2.gz	OXCJKCKZTVPJCZ-UHFFFAOYSA-N	-2	3	340.347	-0.609	20	0		EBADHL
O=C(c1cc(=O)[nH][n-]1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1	ZINC000738297100	583047736	/nfs/dbraw/zinc/04/77/36/583047736.db2.gz	OXCJKCKZTVPJCZ-UHFFFAOYSA-N	-2	3	340.347	-0.609	20	0		EBADHL
O=C([N-][C@H]1C[C@@H](O)C1)C(F)(F)C(F)(F)C(=O)[N-][C@H]1C[C@@H](O)C1	ZINC000839790045	583193774	/nfs/dbraw/zinc/19/37/74/583193774.db2.gz	PRIDIKDTZGYPAO-ODANAHCNSA-N	-2	3	328.262	-0.464	20	0		EBADHL
C[C@H](CC(=O)NCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl	ZINC000769475676	583324026	/nfs/dbraw/zinc/32/40/26/583324026.db2.gz	YVROIYJGLADDPK-SSDOTTSWSA-N	-2	3	335.769	-0.007	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774920906	583392364	/nfs/dbraw/zinc/39/23/64/583392364.db2.gz	ZTURCAREICCKIG-LURJTMIESA-N	-2	3	332.363	-0.018	20	0		EBADHL
O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000776437620	583404133	/nfs/dbraw/zinc/40/41/33/583404133.db2.gz	ZDAXUXXJVPSFII-SSDOTTSWSA-N	-3	3	329.290	-0.181	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000819077994	583754773	/nfs/dbraw/zinc/75/47/73/583754773.db2.gz	FBBLMBPZOCDFQZ-UHFFFAOYSA-N	-2	3	330.366	-0.978	20	0		EBADHL
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000821682542	583801173	/nfs/dbraw/zinc/80/11/73/583801173.db2.gz	IGMVUXZURGHGMF-ZETCQYMHSA-N	-2	3	328.354	-0.700	20	0		EBADHL
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000821682542	583801174	/nfs/dbraw/zinc/80/11/74/583801174.db2.gz	IGMVUXZURGHGMF-ZETCQYMHSA-N	-2	3	328.354	-0.700	20	0		EBADHL
O=C([O-])[C@H]1COCCN1C(=O)COc1ccc(-c2nnn[n-]2)cc1	ZINC000823387435	583828898	/nfs/dbraw/zinc/82/88/98/583828898.db2.gz	JWKNVMNHUKZHJQ-LLVKDONJSA-N	-2	3	333.304	-0.443	20	0		EBADHL
O=C([O-])[C@H]1COCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000823387435	583828901	/nfs/dbraw/zinc/82/89/01/583828901.db2.gz	JWKNVMNHUKZHJQ-LLVKDONJSA-N	-2	3	333.304	-0.443	20	0		EBADHL
C[C@H](C1CC1)n1[n-]ccc1=NC(=O)Cn1nnnc1CNC(=O)[O-]	ZINC000824544731	583847278	/nfs/dbraw/zinc/84/72/78/583847278.db2.gz	SAOZULGQSMAJIO-MRVPVSSYSA-N	-2	3	334.340	-0.331	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000824731075	583849420	/nfs/dbraw/zinc/84/94/20/583849420.db2.gz	RUKKMVDLVGKUGW-SKDRFNHKSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000824731075	583849422	/nfs/dbraw/zinc/84/94/22/583849422.db2.gz	RUKKMVDLVGKUGW-SKDRFNHKSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@H](NC(=O)[O-])C1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1	ZINC000825285925	583857258	/nfs/dbraw/zinc/85/72/58/583857258.db2.gz	BGOYQSXKDIRSKW-LURJTMIESA-N	-2	3	325.325	-0.022	20	0		EBADHL
NC(=O)CO[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1	ZINC000826391681	583897072	/nfs/dbraw/zinc/89/70/72/583897072.db2.gz	WWRHWXBZEKYEGR-LLVKDONJSA-N	-2	3	331.336	-0.631	20	0		EBADHL
NC(=O)CO[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000826391681	583897073	/nfs/dbraw/zinc/89/70/73/583897073.db2.gz	WWRHWXBZEKYEGR-LLVKDONJSA-N	-2	3	331.336	-0.631	20	0		EBADHL
NC(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[nH]n1	ZINC000826392704	583897993	/nfs/dbraw/zinc/89/79/93/583897993.db2.gz	JJMDPKHCTIDNFV-UHFFFAOYSA-N	-2	3	334.321	-0.511	20	0		EBADHL
NC(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[nH]n1	ZINC000826392704	583897995	/nfs/dbraw/zinc/89/79/95/583897995.db2.gz	JJMDPKHCTIDNFV-UHFFFAOYSA-N	-2	3	334.321	-0.511	20	0		EBADHL
O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCc1n[nH]c(=O)[n-]1	ZINC000826412110	583899297	/nfs/dbraw/zinc/89/92/97/583899297.db2.gz	BNRJERPXPOWWMP-UHFFFAOYSA-N	-2	3	344.291	-0.836	20	0		EBADHL
O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCc1n[nH]c(=O)[n-]1	ZINC000826412110	583899298	/nfs/dbraw/zinc/89/92/98/583899298.db2.gz	BNRJERPXPOWWMP-UHFFFAOYSA-N	-2	3	344.291	-0.836	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000827349084	583919481	/nfs/dbraw/zinc/91/94/81/583919481.db2.gz	GRVLIMMYPFOZPS-QMMMGPOBSA-N	-2	3	346.365	-0.041	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000827349084	583919482	/nfs/dbraw/zinc/91/94/82/583919482.db2.gz	GRVLIMMYPFOZPS-QMMMGPOBSA-N	-2	3	346.365	-0.041	20	0		EBADHL
C[C@@H](CS(=O)(=O)[N-][C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-]	ZINC000827550635	583923394	/nfs/dbraw/zinc/92/33/94/583923394.db2.gz	BQHBIYLXUOWYDI-WPRPVWTQSA-N	-2	3	330.366	-0.835	20	0		EBADHL
C[C@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2cnn(C)c2)C1=O)C(=O)[O-]	ZINC000827553884	583923643	/nfs/dbraw/zinc/92/36/43/583923643.db2.gz	RDSXLQWYGDOWAU-MWLCHTKSSA-N	-2	3	344.393	-0.444	20	0		EBADHL
CC[C@](C)(CC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000828629002	583943692	/nfs/dbraw/zinc/94/36/92/583943692.db2.gz	YJOABMOJKBOZOR-GFCCVEGCSA-N	-2	3	332.382	-0.542	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])n1	ZINC000828699744	583945670	/nfs/dbraw/zinc/94/56/70/583945670.db2.gz	KLJRAUSQFZVBSD-SSDOTTSWSA-N	-2	3	343.365	-0.056	20	0		EBADHL
COC(=O)Cc1nnc(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])[n-]1	ZINC000828699744	583945671	/nfs/dbraw/zinc/94/56/71/583945671.db2.gz	KLJRAUSQFZVBSD-SSDOTTSWSA-N	-2	3	343.365	-0.056	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])n[n-]1	ZINC000828699744	583945672	/nfs/dbraw/zinc/94/56/72/583945672.db2.gz	KLJRAUSQFZVBSD-SSDOTTSWSA-N	-2	3	343.365	-0.056	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(COC)C(=O)[O-])ccc1F	ZINC000831029340	583975048	/nfs/dbraw/zinc/97/50/48/583975048.db2.gz	OZTCPNHWCHOLTR-CYBMUJFWSA-N	-2	3	348.352	-0.047	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)OC)C(=O)[O-])c(C)o1	ZINC000831029352	583975072	/nfs/dbraw/zinc/97/50/72/583975072.db2.gz	PLUCGXVURZSZPQ-MRVPVSSYSA-N	-2	3	348.333	-0.758	20	0		EBADHL
O=C(COC(=O)[C@H]1COCCN1C(=O)[O-])[N-]C(=O)c1cccs1	ZINC000831499616	583983941	/nfs/dbraw/zinc/98/39/41/583983941.db2.gz	SKVIQCSXEREKEE-MRVPVSSYSA-N	-2	3	342.329	-0.074	20	0		EBADHL
O=C([O-])N1CCO[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1	ZINC000831715197	583990489	/nfs/dbraw/zinc/99/04/89/583990489.db2.gz	OEKIYANIKPAFQL-NSHDSACASA-N	-2	3	332.320	-0.138	20	0		EBADHL
O=C([O-])N1CCO[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1	ZINC000831715197	583990493	/nfs/dbraw/zinc/99/04/93/583990493.db2.gz	OEKIYANIKPAFQL-NSHDSACASA-N	-2	3	332.320	-0.138	20	0		EBADHL
CS(=O)(=O)CC[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000832670195	584000325	/nfs/dbraw/zinc/00/03/25/584000325.db2.gz	DIERMGXHCSXDEV-UHFFFAOYSA-N	-2	3	343.329	-0.014	20	0		EBADHL
CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1=O	ZINC000833501327	584011185	/nfs/dbraw/zinc/01/11/85/584011185.db2.gz	VEKLWIUJBUMSNF-QMMMGPOBSA-N	-2	3	330.318	-0.208	20	0		EBADHL
CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1	ZINC000833657912	584013342	/nfs/dbraw/zinc/01/33/42/584013342.db2.gz	UWTVXQBSVZIXHD-MRVPVSSYSA-N	-2	3	345.381	-0.502	20	0		EBADHL
COCCN1CCC[C@@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1	ZINC000833724239	584015561	/nfs/dbraw/zinc/01/55/61/584015561.db2.gz	JRRYXEKVIUWHNA-SNVBAGLBSA-N	-2	3	346.409	-0.195	20	0		EBADHL
Cn1cc(C(=O)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)c(=O)[n-]c1=O	ZINC000833945363	584020283	/nfs/dbraw/zinc/02/02/83/584020283.db2.gz	PPHAFJNVGHTPDA-QXEWZRGKSA-N	-2	3	336.348	-0.006	20	0		EBADHL
O=C([O-])N[C@@H](C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccccc1	ZINC000834250548	584030224	/nfs/dbraw/zinc/03/02/24/584030224.db2.gz	IKEVQHGMIWTCMP-GHMZBOCLSA-N	-2	3	332.316	-0.242	20	0		EBADHL
O=C([O-])N1CCc2ncc(NC(=O)CN3CC(=O)[N-]C3=O)cc2C1	ZINC000834289806	584030684	/nfs/dbraw/zinc/03/06/84/584030684.db2.gz	PJVOUYAMBBQAJU-UHFFFAOYSA-N	-2	3	333.304	-0.392	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C	ZINC000846003538	584119386	/nfs/dbraw/zinc/11/93/86/584119386.db2.gz	XMXAUSMNAPPXGS-UHFFFAOYSA-N	-2	3	333.366	-0.364	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]O[C@H](CO)C(C)C	ZINC000857288118	584276839	/nfs/dbraw/zinc/27/68/39/584276839.db2.gz	VBPQVKVDRWVPQV-SNVBAGLBSA-N	-2	3	335.382	-0.366	20	0		EBADHL
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000864212894	584384052	/nfs/dbraw/zinc/38/40/52/584384052.db2.gz	IMUSEFUMBHTUJR-LDYMZIIASA-N	-2	3	348.402	-0.368	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000737014496	598740093	/nfs/dbraw/zinc/74/00/93/598740093.db2.gz	QUPGNHOUDHXZCE-UHFFFAOYSA-N	-2	3	325.350	-0.498	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000737014496	598740094	/nfs/dbraw/zinc/74/00/94/598740094.db2.gz	QUPGNHOUDHXZCE-UHFFFAOYSA-N	-2	3	325.350	-0.498	20	0		EBADHL
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000739201273	600668259	/nfs/dbraw/zinc/66/82/59/600668259.db2.gz	NLQFCKHCNAGDDN-MRVPVSSYSA-N	-2	3	348.315	-0.151	20	0		EBADHL
Cc1cccc(S(=O)(=O)[N-][N-]C(=O)N[C@H]2CCS(=O)(=O)C2)c1	ZINC000057124923	649960057	/nfs/dbraw/zinc/96/00/57/649960057.db2.gz	ARRREBPHXRDAAG-JTQLQIEISA-N	-2	3	347.418	-0.325	20	0		EBADHL
COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC2CC2)cc1C(N)=O	ZINC000064940243	649964144	/nfs/dbraw/zinc/96/41/44/649964144.db2.gz	QRFFZWSUWPRUGV-UHFFFAOYSA-N	-2	3	342.377	-0.303	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C)c1[O-]	ZINC000966532452	724674847	/nfs/dbraw/zinc/67/48/47/724674847.db2.gz	XUQJLFBBIIRYKF-OIBJUYFYSA-N	-2	3	346.347	-0.190	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1	ZINC000998026141	726473218	/nfs/dbraw/zinc/47/32/18/726473218.db2.gz	PWVAPPFJTXLYRH-UHFFFAOYSA-N	-2	3	329.316	-0.154	20	0		EBADHL
Cc1n[nH]c(C(=O)NC2CC(N(C)C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC001016653812	728489231	/nfs/dbraw/zinc/48/92/31/728489231.db2.gz	NASURDGLRJDVKI-UHFFFAOYSA-N	-2	3	346.347	-0.048	20	0		EBADHL
Cn1[n-]c(CN2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])nc1=O	ZINC001024408053	729882486	/nfs/dbraw/zinc/88/24/86/729882486.db2.gz	WDXMVIWRQSHXSP-LLVKDONJSA-N	-2	3	346.391	-0.007	20	0		EBADHL
Cn1[n-]c(CN2CCC[C@H]2CNC(=O)c2ncccc2[O-])nc1=O	ZINC001027844697	730242359	/nfs/dbraw/zinc/24/23/59/730242359.db2.gz	WAGFFFYCBWBALY-JTQLQIEISA-N	-2	3	332.364	-0.397	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001032581610	730893392	/nfs/dbraw/zinc/89/33/92/730893392.db2.gz	IXFAYXABHDOWEV-IUCAKERBSA-N	-2	3	331.336	-0.587	20	0		EBADHL
O=C(N[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc[n-]c1=O	ZINC001034265307	731115748	/nfs/dbraw/zinc/11/57/48/731115748.db2.gz	OILDLEOXXRSIDW-VIFPVBQESA-N	-2	3	333.352	-0.210	20	0		EBADHL
O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccccc1[O-]	ZINC001035296981	731207574	/nfs/dbraw/zinc/20/75/74/731207574.db2.gz	SKJJTKYNCWWDOJ-JTQLQIEISA-N	-2	3	333.348	-0.153	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001049544541	734750983	/nfs/dbraw/zinc/75/09/83/734750983.db2.gz	NZRIVTIWOWSSOA-QWRGUYRKSA-N	-2	3	345.363	-0.115	20	0		EBADHL
Cn1[n-]c(CN2CCC[C@H](NC(=O)c3ncccc3[O-])CC2)nc1=O	ZINC001052331243	735591147	/nfs/dbraw/zinc/59/11/47/735591147.db2.gz	KYBJNEIDTDYRHO-NSHDSACASA-N	-2	3	346.391	-0.007	20	0		EBADHL
CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCOP(=O)([O-])[O-]	ZINC001220220923	811021285	/nfs/dbraw/zinc/02/12/85/811021285.db2.gz	KRRBZYPNZITNMW-QMMMGPOBSA-N	-2	3	326.286	-0.468	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1nc2ncnc-2c([S-])[n-]1)[C@H](O)C(=O)[O-]	ZINC001226785088	811884733	/nfs/dbraw/zinc/88/47/33/811884733.db2.gz	JMWVUJKUNTYTLW-DZSWIPIPSA-N	-4	3	342.289	-0.917	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1cccc(-c2nnn[n-]2)c1)[C@H](O)C(=O)[O-]	ZINC001231121920	812274546	/nfs/dbraw/zinc/27/45/46/812274546.db2.gz	PRTIGZFUWAHNNA-WPRPVWTQSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1cccc(-c2nn[n-]n2)c1)[C@H](O)C(=O)[O-]	ZINC001231121920	812274553	/nfs/dbraw/zinc/27/45/53/812274553.db2.gz	PRTIGZFUWAHNNA-WPRPVWTQSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)[C@@H]1CCCO1	ZINC001087254592	816480609	/nfs/dbraw/zinc/48/06/09/816480609.db2.gz	LMHWCPQUONJPOF-VIFPVBQESA-N	-2	3	349.351	-0.909	20	0		EBADHL
O=C(N=c1ncnc2[nH][n-]cc1-2)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148915253	830554975	/nfs/dbraw/zinc/55/49/75/830554975.db2.gz	NMSFWONFSAVSFQ-UHFFFAOYSA-N	-3	3	335.301	-0.069	20	0		EBADHL
Cc1nonc1[N-]C(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O	ZINC001178365774	832855186	/nfs/dbraw/zinc/85/51/86/832855186.db2.gz	IJPOBJQHWMMKDY-UHFFFAOYSA-N	-2	3	334.292	-0.243	20	0		EBADHL
C[C@H]1[C@H](NC(=O)c2ccc(Cl)[n-]c2=O)C(=O)N1S(=O)(=O)[O-]	ZINC001195140189	835190348	/nfs/dbraw/zinc/19/03/48/835190348.db2.gz	FFSPVNAMPWZQCJ-FFWSUHOLSA-N	-2	3	335.725	-0.428	20	0		EBADHL
C[C@@]1(C(N)=O)CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1	ZINC001575614559	950539403	/nfs/dbraw/zinc/53/94/03/950539403.db2.gz	IBWCVMYMXJAASN-CQSZACIVSA-N	-2	3	343.351	-0.688	20	0		EBADHL
C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001575012158	950876800	/nfs/dbraw/zinc/87/68/00/950876800.db2.gz	XJHZYQVOWGEMNZ-SSDOTTSWSA-N	-2	3	346.355	-0.731	20	0		EBADHL
C[C@H](CNC(=O)c1ncccc1[O-])Nc1nccnc1-c1nnn[n-]1	ZINC001575067601	951615796	/nfs/dbraw/zinc/61/57/96/951615796.db2.gz	MWBFQLZVRFPXSH-MRVPVSSYSA-N	-2	3	341.335	-0.012	20	0		EBADHL
C[C@H](CNC(=O)c1ncccc1[O-])Nc1nccnc1-c1nn[n-]n1	ZINC001575067601	951615807	/nfs/dbraw/zinc/61/58/07/951615807.db2.gz	MWBFQLZVRFPXSH-MRVPVSSYSA-N	-2	3	341.335	-0.012	20	0		EBADHL
O=C([O-])Cn1cccc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)c1=O	ZINC001595154011	952154212	/nfs/dbraw/zinc/15/42/12/952154212.db2.gz	GRBXWCNINJSESW-UHFFFAOYSA-N	-2	3	346.347	-0.459	20	0		EBADHL
O=C([O-])Cn1cccc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)c1=O	ZINC001595154011	952154218	/nfs/dbraw/zinc/15/42/18/952154218.db2.gz	GRBXWCNINJSESW-UHFFFAOYSA-N	-2	3	346.347	-0.459	20	0		EBADHL
O=C([O-])C1=NO[C@@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1	ZINC001594892490	954547002	/nfs/dbraw/zinc/54/70/02/954547002.db2.gz	RVYYTLLTHVQYDR-CYBMUJFWSA-N	-2	3	347.327	-0.094	20	0		EBADHL
O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001594714756	956913491	/nfs/dbraw/zinc/91/34/91/956913491.db2.gz	LBQVFGKPDKMOEF-OLQVQODUSA-N	-2	3	346.137	-0.309	20	0		EBADHL
Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCCN(CC(=O)[O-])C2=O)on1	ZINC001594306427	957971218	/nfs/dbraw/zinc/97/12/18/957971218.db2.gz	IRDZBVIZUCQXPM-LLVKDONJSA-N	-2	3	345.377	-0.132	20	0		EBADHL
O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc(=O)c2ccccc2[n-]1	ZINC000391610161	972349974	/nfs/dbraw/zinc/34/99/74/972349974.db2.gz	ZPYYVNXSEDTFFT-GFCCVEGCSA-N	-2	3	329.312	-0.057	20	0		EBADHL
CN(CCC(=O)[O-])S(=O)(=O)NCc1cc(=O)[n-]c(C2CC2)n1	ZINC001571190877	962249169	/nfs/dbraw/zinc/24/91/69/962249169.db2.gz	MZBJVJVOCZVOAN-UHFFFAOYSA-N	-2	3	330.366	-0.200	20	0		EBADHL
CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1=O	ZINC001571191062	962255434	/nfs/dbraw/zinc/25/54/34/962255434.db2.gz	PRAADLPCZLIYCB-QMMMGPOBSA-N	-2	3	330.366	-0.214	20	0		EBADHL
CCCN1C[C@@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O	ZINC001571191213	962256987	/nfs/dbraw/zinc/25/69/87/962256987.db2.gz	SOYSXBRWHJVKHE-MRVPVSSYSA-N	-2	3	330.366	-0.355	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@](C)(CO)C(=O)[O-]	ZINC001571229350	962617980	/nfs/dbraw/zinc/61/79/80/962617980.db2.gz	RIOUPMJXHSJVRF-LBPRGKRZSA-N	-2	3	335.309	-0.274	20	0		EBADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2	ZINC000394757198	972752895	/nfs/dbraw/zinc/75/28/95/972752895.db2.gz	SHSKCZYKGZKBQK-MRVPVSSYSA-N	-2	3	332.407	-0.881	20	0		EBADHL
CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001596859376	985613978	/nfs/dbraw/zinc/61/39/78/985613978.db2.gz	BGXNZPFYRRWBQS-DTWKUNHWSA-N	-2	3	333.366	-0.111	20	0		EBADHL
CC(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1[O-]	ZINC001589275430	985981857	/nfs/dbraw/zinc/98/18/57/985981857.db2.gz	CCGUCVNKXBUWMT-LLVKDONJSA-N	-2	3	341.341	-0.081	20	0		EBADHL
CCn1nccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[n-]c1=O	ZINC001597966652	990007177	/nfs/dbraw/zinc/00/71/77/990007177.db2.gz	XKCIQZGJZYMHPI-ZETCQYMHSA-N	-3	3	341.324	-0.477	20	0		EBADHL
CN(C)C(=O)Cn1cc(C(=O)[N-]c2nc(C(=O)[O-])ns2)nn1	ZINC001598134663	990581443	/nfs/dbraw/zinc/58/14/43/990581443.db2.gz	XXBOQWOOWJDPDQ-UHFFFAOYSA-N	-2	3	325.310	-0.832	20	0		EBADHL
CN(CCC[N-]S(=O)(=O)c1occc1C(=O)[O-])S(C)(=O)=O	ZINC001598482411	992173791	/nfs/dbraw/zinc/17/37/91/992173791.db2.gz	ABYQTTCVFYTAOY-UHFFFAOYSA-N	-2	3	340.379	-0.462	20	0		EBADHL
CNS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001598671368	994763463	/nfs/dbraw/zinc/76/34/63/994763463.db2.gz	DXRDIBZYUFKVNQ-UHFFFAOYSA-N	-2	3	326.352	-0.886	20	0		EBADHL
COC(=O)[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598696731	995151953	/nfs/dbraw/zinc/15/19/53/995151953.db2.gz	KOHSMBQIQMKVGK-ZNSHCXBVSA-N	-2	3	335.378	-0.120	20	0		EBADHL
CO[C@@]1(C(=O)[O-])CCN(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1	ZINC001599074501	996833688	/nfs/dbraw/zinc/83/36/88/996833688.db2.gz	RNIONQULJXTJCW-ZDUSSCGKSA-N	-2	3	338.324	-0.596	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@](C)(CO)C(=O)[O-])c(F)c1	ZINC001598987647	998708808	/nfs/dbraw/zinc/70/88/08/998708808.db2.gz	CVGCWTZYZKLSEW-LBPRGKRZSA-N	-2	3	335.309	-0.274	20	0		EBADHL
C[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCN1CCC(=O)[O-]	ZINC001594464649	999680205	/nfs/dbraw/zinc/68/02/05/999680205.db2.gz	BXWDZNGEYKTVPS-SNVBAGLBSA-N	-2	3	341.368	-0.523	20	0		EBADHL
CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1nnn[n-]1	ZINC001363488152	1131969853	/nfs/dbraw/zinc/96/98/53/1131969853.db2.gz	GWOVSMSNLIESBN-UHFFFAOYSA-N	-2	3	332.292	-0.581	20	0		EBADHL
CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)c1nn[n-]n1	ZINC001363488152	1131969859	/nfs/dbraw/zinc/96/98/59/1131969859.db2.gz	GWOVSMSNLIESBN-UHFFFAOYSA-N	-2	3	332.292	-0.581	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1	ZINC001363763313	1132079164	/nfs/dbraw/zinc/07/91/64/1132079164.db2.gz	QGYCJDQQSXKVPM-VIFPVBQESA-N	-2	3	331.332	-0.038	20	0		EBADHL
CS(=O)(=O)CCC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134691382	376033642	/nfs/dbraw/zinc/03/36/42/376033642.db2.gz	JRBYPIZCRKIJNJ-UHFFFAOYSA-N	-2	3	328.393	-0.446	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1C	ZINC000584113554	376212733	/nfs/dbraw/zinc/21/27/33/376212733.db2.gz	XHTBTFSKSFYWBK-ZDUSSCGKSA-N	-2	3	344.393	-0.670	20	0		EBADHL
CCCc1nc(=NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)s[n-]1	ZINC000584143197	376214322	/nfs/dbraw/zinc/21/43/22/376214322.db2.gz	OEBJOGMGROBOFT-UHFFFAOYSA-N	-2	3	344.422	-0.437	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])c(F)c1	ZINC000569439706	376434329	/nfs/dbraw/zinc/43/43/29/376434329.db2.gz	GICIAGBFVLNITK-GFCCVEGCSA-N	-2	3	335.309	-0.274	20	0		EBADHL
C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C[C@@H]1C(=O)[O-]	ZINC000564976817	376692838	/nfs/dbraw/zinc/69/28/38/376692838.db2.gz	BLQQWJUDEBBOJC-UWVGGRQHSA-N	-2	3	344.393	-0.732	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)[C@H](C)C(=O)[O-]	ZINC000560480099	376710529	/nfs/dbraw/zinc/71/05/29/376710529.db2.gz	OTOXHILMPHMHMS-JGVFFNPUSA-N	-2	3	336.391	-0.127	20	0		EBADHL
CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000572997622	377195715	/nfs/dbraw/zinc/19/57/15/377195715.db2.gz	DWLTUEGEKHFLEI-LURJTMIESA-N	-2	3	342.420	-0.057	20	0		EBADHL
C[C@@H](CN(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000570331618	377232437	/nfs/dbraw/zinc/23/24/37/377232437.db2.gz	FXIONSCXFGHWKK-LURJTMIESA-N	-2	3	348.153	-0.110	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCC1(C(=O)[O-])CC1	ZINC000621571674	379325788	/nfs/dbraw/zinc/32/57/88/379325788.db2.gz	JCQJSXGIYRMBMT-QMMMGPOBSA-N	-2	3	345.377	-0.061	20	0		EBADHL
O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000274913840	379722480	/nfs/dbraw/zinc/72/24/80/379722480.db2.gz	LHNRIDKLBZZOTM-ZCFIWIBFSA-N	-2	3	325.140	-0.432	20	0		EBADHL
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-]	ZINC000274960970	379726972	/nfs/dbraw/zinc/72/69/72/379726972.db2.gz	VAIGURHQUGAJJI-MRVPVSSYSA-N	-2	3	337.737	-0.150	20	0		EBADHL
O=C([O-])CC[C@H]([N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275154750	379740150	/nfs/dbraw/zinc/74/01/50/379740150.db2.gz	ZDAXUXXJVPSFII-ZETCQYMHSA-N	-3	3	329.290	-0.181	20	0		EBADHL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-]	ZINC000278202060	379917216	/nfs/dbraw/zinc/91/72/16/379917216.db2.gz	HCLWDCGQKCUCPF-UHFFFAOYSA-N	-2	3	338.773	-0.749	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)c(C)o1	ZINC000630254774	380023687	/nfs/dbraw/zinc/02/36/87/380023687.db2.gz	ZBXIYHVKKNDVAS-ZDUSSCGKSA-N	-2	3	346.361	-0.188	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-]	ZINC000547881120	380168539	/nfs/dbraw/zinc/16/85/39/380168539.db2.gz	DVLIWLXGDTXJPI-ZCFIWIBFSA-N	-3	3	349.317	-0.165	20	0		EBADHL
NC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-]	ZINC000548199536	380188610	/nfs/dbraw/zinc/18/86/10/380188610.db2.gz	SICHXKLWPDYOFG-ZETCQYMHSA-N	-2	3	326.252	-0.289	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC)C(=O)[O-]	ZINC000548214322	380190551	/nfs/dbraw/zinc/19/05/51/380190551.db2.gz	LSZKXBKISZPVHO-SECBINFHSA-N	-2	3	335.309	-0.010	20	0		EBADHL
CCOc1ccncc1S(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)[O-]	ZINC000565054624	380396237	/nfs/dbraw/zinc/39/62/37/380396237.db2.gz	MVQXUPBLMDPOLG-MRVPVSSYSA-N	-2	3	332.334	-0.225	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)oc1C	ZINC000290163800	380461545	/nfs/dbraw/zinc/46/15/45/380461545.db2.gz	OWRRLZVQTRINFR-UHFFFAOYSA-N	-2	3	331.306	-0.428	20	0		EBADHL
COc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)cc1OC	ZINC000275068053	380569251	/nfs/dbraw/zinc/56/92/51/380569251.db2.gz	KSMYLBMQBPFYFN-KBUNVGBDSA-N	-2	3	337.325	-0.045	20	0		EBADHL
CS(=O)(=O)CCC[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000574570992	380716014	/nfs/dbraw/zinc/71/60/14/380716014.db2.gz	ZPUXGYVDOIFEKZ-UHFFFAOYSA-N	-2	3	328.393	-0.446	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N([C@H](C)C(=O)[O-])C2CC2)cn1C	ZINC000417437196	380886354	/nfs/dbraw/zinc/88/63/54/380886354.db2.gz	QGLFYUZNKTZCGL-MRVPVSSYSA-N	-2	3	344.393	-0.529	20	0		EBADHL
CO[C@H](C)CS(=O)(=O)[N-][C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417441626	380888618	/nfs/dbraw/zinc/88/86/18/380888618.db2.gz	AYEWQKYHUCBVLI-GMTAPVOTSA-N	-2	3	336.410	-0.349	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)C[C@H]2CCCO2)C1=O	ZINC000417445574	380893041	/nfs/dbraw/zinc/89/30/41/380893041.db2.gz	HOTZUHFAQKNKIX-GRYCIOLGSA-N	-2	3	348.421	-0.205	20	0		EBADHL
O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCCS(=O)(=O)C1	ZINC000578353459	380923023	/nfs/dbraw/zinc/92/30/23/380923023.db2.gz	GDABCTNAIYFPGH-ZCFIWIBFSA-N	-2	3	340.404	-0.303	20	0		EBADHL
COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-]	ZINC000581559392	381084799	/nfs/dbraw/zinc/08/47/99/381084799.db2.gz	YFOPYZOSEROBHU-MRVPVSSYSA-N	-2	3	337.737	-0.150	20	0		EBADHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-]	ZINC000583727916	381127346	/nfs/dbraw/zinc/12/73/46/381127346.db2.gz	WEJFDPRJFCWDGP-ZCFIWIBFSA-N	-2	3	341.267	-0.293	20	0		EBADHL
O=C(N[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)[n-]cn1)c1cc(=O)[n-]cn1	ZINC000626660742	381595578	/nfs/dbraw/zinc/59/55/78/381595578.db2.gz	MPAJKHALRAGFHM-IUCAKERBSA-N	-2	3	344.331	-0.241	20	0		EBADHL
O=C1[N-]C(=O)[C@H](Cc2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2)N1	ZINC000354223383	382220567	/nfs/dbraw/zinc/22/05/67/382220567.db2.gz	ZKBZTKMYDDTVGQ-JTQLQIEISA-N	-2	3	335.345	-0.039	20	0		EBADHL
COC[C@](C)(NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000262185688	154216812	/nfs/dbraw/zinc/21/68/12/154216812.db2.gz	YBFLLGHVFBUVAY-JKSUJKDBSA-N	-2	3	349.343	-0.039	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000262548306	154237132	/nfs/dbraw/zinc/23/71/32/154237132.db2.gz	SOOBXZLWAUCMIS-RDDDGLTNSA-N	-2	3	336.391	-0.633	20	0		EBADHL
C[C@@]1(c2cccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2)NC(=O)[N-]C1=O	ZINC000262608062	154239265	/nfs/dbraw/zinc/23/92/65/154239265.db2.gz	ATGAWTMNUSJWSK-BZNIZROVSA-N	-2	3	347.327	-0.333	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000262895397	154250184	/nfs/dbraw/zinc/25/01/84/154250184.db2.gz	AQXKUWBDHDAQPK-DTWKUNHWSA-N	-2	3	348.402	-0.273	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])c(C)o1	ZINC000262978601	154251540	/nfs/dbraw/zinc/25/15/40/154251540.db2.gz	QRXWONOMLXSIHQ-WPRPVWTQSA-N	-2	3	346.361	-0.190	20	0		EBADHL
CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-]	ZINC000263081202	154253392	/nfs/dbraw/zinc/25/33/92/154253392.db2.gz	HSFLHRBLAXAJJC-GXTWGEPZSA-N	-2	3	331.390	-0.001	20	0		EBADHL
C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000263549649	154259139	/nfs/dbraw/zinc/25/91/39/154259139.db2.gz	JTTRYQMWRURPBG-SECBINFHSA-N	-2	3	348.402	-0.310	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O	ZINC000274956351	154632047	/nfs/dbraw/zinc/63/20/47/154632047.db2.gz	UGLKWVFSGUVKEW-LDWIPMOCSA-N	-2	3	335.309	-0.275	20	0		EBADHL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCn1cc(C(=O)[O-])nn1	ZINC000277167963	154713008	/nfs/dbraw/zinc/71/30/08/154713008.db2.gz	BRRZUCVQLWMOGP-UHFFFAOYSA-N	-2	3	348.772	-0.350	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])N1CCc2c(=O)[n-]cnc2C1	ZINC000345197839	156310994	/nfs/dbraw/zinc/31/09/94/156310994.db2.gz	LGKSWWYTEDWZJU-UHFFFAOYSA-N	-2	3	329.316	-0.403	20	0		EBADHL
O=C([N-]c1nn[n-]n1)c1sccc1S(=O)(=O)N1CCOCC1	ZINC000345531800	156340813	/nfs/dbraw/zinc/34/08/13/156340813.db2.gz	CEDMDEXEQKGKAJ-UHFFFAOYSA-N	-2	3	344.378	-0.466	20	0		EBADHL
Cc1cc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000655297539	418995107	/nfs/dbraw/zinc/99/51/07/418995107.db2.gz	LLLUGRPOQGLVFZ-VHSXEESVSA-N	-2	3	345.359	-0.365	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)o1	ZINC000533113569	419965262	/nfs/dbraw/zinc/96/52/62/419965262.db2.gz	CNRXVWXCJYKJEF-MRVPVSSYSA-N	-2	3	340.365	-0.279	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)o1	ZINC000533113569	419965268	/nfs/dbraw/zinc/96/52/68/419965268.db2.gz	CNRXVWXCJYKJEF-MRVPVSSYSA-N	-2	3	340.365	-0.279	20	0		EBADHL
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc3nc[nH]c3n2)s1	ZINC000355628416	420578382	/nfs/dbraw/zinc/57/83/82/420578382.db2.gz	JCAFFZCOOKFNJB-UHFFFAOYSA-N	-2	3	339.362	0.433	20	0		EBADHL
CC(C)(C)OC(=O)N[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-]	ZINC000496205176	420624944	/nfs/dbraw/zinc/62/49/44/420624944.db2.gz	JRWGHMVNRAKDLG-ZETCQYMHSA-N	-2	3	334.354	-0.334	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cnn(C)c2C)cn1C	ZINC000530383296	420782479	/nfs/dbraw/zinc/78/24/79/420782479.db2.gz	SDFQOOPNTORXJX-LLVKDONJSA-N	-2	3	327.366	-0.125	20	0		EBADHL
O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)c3ccccc3[O-])C2)N1	ZINC000656977345	420908672	/nfs/dbraw/zinc/90/86/72/420908672.db2.gz	WSJQSQHCKCGJPE-ZDUSSCGKSA-N	-2	3	325.346	-0.245	20	0		EBADHL
Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C2	ZINC000656181286	420882045	/nfs/dbraw/zinc/88/20/45/420882045.db2.gz	QXQZGEWLXKMLFK-LURJTMIESA-N	-2	3	343.390	-0.194	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000659243370	420994004	/nfs/dbraw/zinc/99/40/04/420994004.db2.gz	SUDLSJVSFZHTEV-SZEHBUNVSA-N	-2	3	345.377	-0.062	20	0		EBADHL
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000663097313	421125479	/nfs/dbraw/zinc/12/54/79/421125479.db2.gz	AXNTYEFJMAZEBW-HZPDHXFCSA-N	-2	3	349.343	-0.153	20	0		EBADHL
CCc1nc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])cn1CC1CC1	ZINC000663254029	421127726	/nfs/dbraw/zinc/12/77/26/421127726.db2.gz	ZKEBWIZMRVDEHX-CYBMUJFWSA-N	-2	3	331.394	-0.031	20	0		EBADHL
COC(=O)c1ccc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)[n-]1	ZINC000432425539	421246170	/nfs/dbraw/zinc/24/61/70/421246170.db2.gz	NESPZMRVUPUQJT-UHFFFAOYSA-N	-2	3	345.362	0.277	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)s1	ZINC000650419079	545684742	/nfs/dbraw/zinc/68/47/42/545684742.db2.gz	JCFLWTQKGVTAJB-JTQLQIEISA-N	-2	3	335.363	-0.377	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2n[n-]c(=O)o2)c(C)o1	ZINC000673479959	546140189	/nfs/dbraw/zinc/14/01/89/546140189.db2.gz	FUVVDWSEWWLGQV-UHFFFAOYSA-N	-2	3	330.322	-0.143	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000730542069	582829679	/nfs/dbraw/zinc/82/96/79/582829679.db2.gz	QFZRZYPKKLOKHD-UHFFFAOYSA-N	-2	3	337.303	-0.110	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000730542069	582829681	/nfs/dbraw/zinc/82/96/81/582829681.db2.gz	QFZRZYPKKLOKHD-UHFFFAOYSA-N	-2	3	337.303	-0.110	20	0		EBADHL
CCN(CC(=O)[O-])C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000737070188	582987725	/nfs/dbraw/zinc/98/77/25/582987725.db2.gz	LLWGVGFDUDWQGA-UHFFFAOYSA-N	-2	3	332.382	-0.670	20	0		EBADHL
CN(CC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000737393919	583006916	/nfs/dbraw/zinc/00/69/16/583006916.db2.gz	URIUPZJFLRDSQP-HNNXBMFYSA-N	-2	3	334.332	-0.033	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccccc1-c1nnn[n-]1	ZINC000737982163	583036890	/nfs/dbraw/zinc/03/68/90/583036890.db2.gz	ORMCKFWQVSNQEE-UHFFFAOYSA-N	-2	3	337.303	-0.110	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccccc1-c1nn[n-]n1	ZINC000737982163	583036893	/nfs/dbraw/zinc/03/68/93/583036893.db2.gz	ORMCKFWQVSNQEE-UHFFFAOYSA-N	-2	3	337.303	-0.110	20	0		EBADHL
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1nc(=O)n(C)[n-]1	ZINC000765465283	583282924	/nfs/dbraw/zinc/28/29/24/583282924.db2.gz	ITHPRRIHMIWWIK-UHFFFAOYSA-N	-2	3	332.320	-0.241	20	0		EBADHL
C[C@@]1(c2ccc(C(=O)OCc3n[nH]c(=O)[n-]3)cc2)NC(=O)[N-]C1=O	ZINC000774960240	583393086	/nfs/dbraw/zinc/39/30/86/583393086.db2.gz	BCBMXIPNGGKUQZ-AWEZNQCLSA-N	-2	3	331.288	-0.078	20	0		EBADHL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000776438269	583404108	/nfs/dbraw/zinc/40/41/08/583404108.db2.gz	STVZKEHOSHKWBI-LURJTMIESA-N	-3	3	339.757	-0.022	20	0		EBADHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc2nonc21)[C@@H]1CCOC1	ZINC000776502579	583405358	/nfs/dbraw/zinc/40/53/58/583405358.db2.gz	HECHPMPSYSVJLT-GMSGAONNSA-N	-2	3	327.318	-0.009	20	0		EBADHL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1	ZINC000776627743	583407464	/nfs/dbraw/zinc/40/74/64/583407464.db2.gz	JWONJYWYWFPTBG-UHFFFAOYSA-N	-2	3	348.772	-0.463	20	0		EBADHL
CCOC(=O)c1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n[n-]1	ZINC000781432199	583456825	/nfs/dbraw/zinc/45/68/25/583456825.db2.gz	RJBVMNUSMARJIN-UHFFFAOYSA-N	-2	3	331.292	-0.390	20	0		EBADHL
CCOC(=O)c1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[n-]n1	ZINC000781432199	583456827	/nfs/dbraw/zinc/45/68/27/583456827.db2.gz	RJBVMNUSMARJIN-UHFFFAOYSA-N	-2	3	331.292	-0.390	20	0		EBADHL
CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821629936	583797259	/nfs/dbraw/zinc/79/72/59/583797259.db2.gz	GXAUHRFEXFPJTE-RXMQYKEDSA-N	-2	3	346.319	-0.442	20	0		EBADHL
CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821629936	583797261	/nfs/dbraw/zinc/79/72/61/583797261.db2.gz	GXAUHRFEXFPJTE-RXMQYKEDSA-N	-2	3	346.319	-0.442	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000822645668	583815646	/nfs/dbraw/zinc/81/56/46/583815646.db2.gz	JTZRZXWNOKWWSR-UHFFFAOYSA-N	-2	3	325.354	-0.724	20	0		EBADHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000822645668	583815647	/nfs/dbraw/zinc/81/56/47/583815647.db2.gz	JTZRZXWNOKWWSR-UHFFFAOYSA-N	-2	3	325.354	-0.724	20	0		EBADHL
CC(C)(NC(=O)[O-])c1noc(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)n1	ZINC000824030039	583840375	/nfs/dbraw/zinc/84/03/75/583840375.db2.gz	QMPLNVLTMPSFGB-SSDOTTSWSA-N	-2	3	338.324	-0.692	20	0		EBADHL
C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2nc3c(cnn3C)c(=O)[n-]2)CCO1	ZINC000825358150	583859371	/nfs/dbraw/zinc/85/93/71/583859371.db2.gz	DPVXFNVKSRQXER-SCZZXKLOSA-N	-2	3	336.352	-0.074	20	0		EBADHL
C[C@H](C(=O)NCC(=O)[O-])N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000825999475	583873333	/nfs/dbraw/zinc/87/33/33/583873333.db2.gz	BOAVYTMZQWSMRK-LLVKDONJSA-N	-2	3	335.360	-0.261	20	0		EBADHL
C[C@@H](C(=O)NCC(=O)[O-])N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000825999476	583873459	/nfs/dbraw/zinc/87/34/59/583873459.db2.gz	BOAVYTMZQWSMRK-NSHDSACASA-N	-2	3	335.360	-0.261	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826449948	583902769	/nfs/dbraw/zinc/90/27/69/583902769.db2.gz	QEBSLGPECXJCDZ-QMMMGPOBSA-N	-2	3	340.365	-0.177	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826449948	583902770	/nfs/dbraw/zinc/90/27/70/583902770.db2.gz	QEBSLGPECXJCDZ-QMMMGPOBSA-N	-2	3	340.365	-0.177	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000829889553	583959711	/nfs/dbraw/zinc/95/97/11/583959711.db2.gz	CPMGIDJCEHKZGR-MRVPVSSYSA-N	-2	3	347.349	-0.549	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000829889553	583959712	/nfs/dbraw/zinc/95/97/12/583959712.db2.gz	CPMGIDJCEHKZGR-MRVPVSSYSA-N	-2	3	347.349	-0.549	20	0		EBADHL
CN(CCC(=O)[O-])S(=O)(=O)[N-]Cc1nc(-c2ccncc2)no1	ZINC000830752298	583970612	/nfs/dbraw/zinc/97/06/12/583970612.db2.gz	YOVMGWOKXPGMSU-UHFFFAOYSA-N	-2	3	341.349	-0.128	20	0		EBADHL
O=C([O-])N1CCO[C@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)C1	ZINC000831688975	583989838	/nfs/dbraw/zinc/98/98/38/583989838.db2.gz	HRXHMRHQFCMKDB-LBPRGKRZSA-N	-2	3	337.332	-0.383	20	0		EBADHL
Cc1oc(S(=O)(=O)[N-]C2(C(N)=O)CCOCC2)cc1C(=O)[O-]	ZINC000833028224	584003083	/nfs/dbraw/zinc/00/30/83/584003083.db2.gz	LQRLFJPSKPOKPD-UHFFFAOYSA-N	-2	3	332.334	-0.401	20	0		EBADHL
C[C@@]1(c2cccc(C(=O)OCC(=O)NCC(=O)[O-])c2)NC(=O)[N-]C1=O	ZINC000833574568	584012204	/nfs/dbraw/zinc/01/22/04/584012204.db2.gz	XDNXTVFOMWOFTD-HNNXBMFYSA-N	-2	3	349.299	-0.901	20	0		EBADHL
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000834042698	584025300	/nfs/dbraw/zinc/02/53/00/584025300.db2.gz	XMZVXBUPLPRLNC-RYUDHWBXSA-N	-2	3	337.332	-0.649	20	0		EBADHL
O=C(COC(=O)[C@@H]1CCS(=O)(=O)[N-]1)[N-]OCc1ccccc1	ZINC000845368226	584105166	/nfs/dbraw/zinc/10/51/66/584105166.db2.gz	OQIRLTNVGIHAHX-NSHDSACASA-N	-2	3	328.346	-0.531	20	0		EBADHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)c1F	ZINC000846767941	584131104	/nfs/dbraw/zinc/13/11/04/584131104.db2.gz	RXPNNKNITNPQBI-CYBMUJFWSA-N	-2	3	346.336	-0.245	20	0		EBADHL
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-]	ZINC000849222367	584166890	/nfs/dbraw/zinc/16/68/90/584166890.db2.gz	VGNFRMSTLQMCFC-RXMQYKEDSA-N	-2	3	338.725	-0.755	20	0		EBADHL
CCNS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000230990023	600083803	/nfs/dbraw/zinc/08/38/03/600083803.db2.gz	UOIFSCVLRULEJO-UHFFFAOYSA-N	-2	3	326.352	-0.805	20	0		EBADHL
CNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br	ZINC000055313383	602141613	/nfs/dbraw/zinc/14/16/13/602141613.db2.gz	XLARERDTPLPGAL-UHFFFAOYSA-N	-2	3	341.139	-0.235	20	0		EBADHL
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC[C@H]1CCCN(C(=O)[O-])C1	ZINC000740341184	603096023	/nfs/dbraw/zinc/09/60/23/603096023.db2.gz	CBRFRDYKSYDZEE-SSDOTTSWSA-N	-2	3	325.325	-0.020	20	0		EBADHL
CC(C)CC(=O)[N-][N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000031555952	649938938	/nfs/dbraw/zinc/93/89/38/649938938.db2.gz	PMIBQCWGDNNWQU-UHFFFAOYSA-N	-2	3	340.361	-0.428	20	0		EBADHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000062930830	649962754	/nfs/dbraw/zinc/96/27/54/649962754.db2.gz	RUTZZGUNLTVDNB-UHFFFAOYSA-N	-2	3	328.350	-0.082	20	0		EBADHL
CCNC(=O)[N-][N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000064940077	649964331	/nfs/dbraw/zinc/96/43/31/649964331.db2.gz	UHNMHHZZOZCPSU-UHFFFAOYSA-N	-3	3	345.333	-0.332	20	0		EBADHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O	ZINC000070776695	649968415	/nfs/dbraw/zinc/96/84/15/649968415.db2.gz	OIWWKVCQAZMUQE-UHFFFAOYSA-N	-2	3	340.361	-0.185	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)c1[O-]	ZINC000941964985	653008494	/nfs/dbraw/zinc/00/84/94/653008494.db2.gz	VHNJGTQUMXCJHO-PSASIEDQSA-N	-2	3	349.395	-0.514	20	0		EBADHL
O=C(NC[C@@H]1CCN1C(=O)c1ncccc1[O-])c1cnc[n-]c1=O	ZINC000950699554	654225458	/nfs/dbraw/zinc/22/54/58/654225458.db2.gz	HAZUEZIEDKUVEE-VIFPVBQESA-N	-2	3	329.316	-0.073	20	0		EBADHL
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1CCCN1C(=O)c1ncccc1[O-]	ZINC000960576507	722840645	/nfs/dbraw/zinc/84/06/45/722840645.db2.gz	QUYVUOWVYLJCCH-NSHDSACASA-N	-2	3	346.391	-0.054	20	0		EBADHL
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN1C(=O)c1cnc[n-]c1=O	ZINC000960692120	722853501	/nfs/dbraw/zinc/85/35/01/722853501.db2.gz	HYRQQAGJGMKZJQ-VIFPVBQESA-N	-2	3	333.352	-0.258	20	0		EBADHL
CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN1C(=O)c1cnc[n-]c1=O	ZINC000960692119	722853550	/nfs/dbraw/zinc/85/35/50/722853550.db2.gz	HYRQQAGJGMKZJQ-SECBINFHSA-N	-2	3	333.352	-0.258	20	0		EBADHL
C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC000993476385	725893203	/nfs/dbraw/zinc/89/32/03/725893203.db2.gz	HIMZICSKWWPWSL-SCZZXKLOSA-N	-2	3	333.352	-0.211	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cnc[n-]c4=O)C[C@H]32)c1[O-]	ZINC000976377572	726282567	/nfs/dbraw/zinc/28/25/67/726282567.db2.gz	VNTKVNWMSPGUEN-MYJAWHEDSA-N	-2	3	344.331	-0.580	20	0		EBADHL
O=C(NCC1CN(C(=O)c2ccccc2[O-])C1)c1n[nH]c(=O)[n-]c1=O	ZINC001003392571	726672327	/nfs/dbraw/zinc/67/23/27/726672327.db2.gz	AUMYOCAOKWABGQ-UHFFFAOYSA-N	-2	3	345.315	-0.510	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001023550784	729721674	/nfs/dbraw/zinc/72/16/74/729721674.db2.gz	LWRYNVSHUKJRBI-SNVBAGLBSA-N	-2	3	347.379	-0.044	20	0		EBADHL
Cn1[n-]c(CN2CCCC[C@@H](NC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001034182492	731108793	/nfs/dbraw/zinc/10/87/93/731108793.db2.gz	SORHYMCBDKWGLZ-LLVKDONJSA-N	-2	3	346.391	-0.007	20	0		EBADHL
Cn1[n-]c(CN2CC[C@](C)(NC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001046262526	733898648	/nfs/dbraw/zinc/89/86/48/733898648.db2.gz	VQCVKWJSRTZCHD-HNNXBMFYSA-N	-2	3	332.364	-0.397	20	0		EBADHL
O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ccccc1[O-]	ZINC001053741296	735987149	/nfs/dbraw/zinc/98/71/49/735987149.db2.gz	FSGJDVCEEUKSQU-SNVBAGLBSA-N	-2	3	345.359	-0.011	20	0		EBADHL
C[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1Cc1nc(=O)n(C)[n-]1	ZINC001071454538	741139651	/nfs/dbraw/zinc/13/96/51/741139651.db2.gz	NJIFMFOFCGWATK-WDEREUQCSA-N	-2	3	346.391	-0.008	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H](C)C2CN(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC001005922502	809871665	/nfs/dbraw/zinc/87/16/65/809871665.db2.gz	OJUBXZZUVQXZQF-SSDOTTSWSA-N	-2	3	346.347	-0.190	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)c1[O-]	ZINC001036986159	811324989	/nfs/dbraw/zinc/32/49/89/811324989.db2.gz	RNJZWHMNFCIONS-BDAKNGLRSA-N	-2	3	335.368	-0.064	20	0		EBADHL
CCOC(=O)C1(C(=O)OCC)CC(Oc2nc(=O)[n-]c(=O)[n-]2)C1	ZINC001227570621	811930003	/nfs/dbraw/zinc/93/00/03/811930003.db2.gz	MILHTNPVVLEWCO-UHFFFAOYSA-N	-2	3	327.293	-0.063	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1cc2c(cc1[O-])CCC2=O)[C@@H](O)C(=O)[O-]	ZINC001228855764	812000788	/nfs/dbraw/zinc/00/07/88/812000788.db2.gz	QGNJPQBFWAYABC-ISVAXAHUSA-N	-3	3	338.268	-0.037	20	0		EBADHL
COC(=O)Cc1ccc([O-])c([N-]S(=O)(=O)CS(C)(=O)=O)c1	ZINC001260590634	812840441	/nfs/dbraw/zinc/84/04/41/812840441.db2.gz	KXXXBMUDXAUFLR-UHFFFAOYSA-N	-2	3	337.375	-0.149	20	0		EBADHL
O=C(c1ccccc1[O-])N1CCO[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]21	ZINC001083005422	814053001	/nfs/dbraw/zinc/05/30/01/814053001.db2.gz	YUXSGYGMGSTVGK-WCQYABFASA-N	-2	3	345.359	-0.059	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)[C@H]1CC12CC2	ZINC001087260656	816491302	/nfs/dbraw/zinc/49/13/02/816491302.db2.gz	WEEOOLDJCKLJKU-SECBINFHSA-N	-2	3	345.363	-0.288	20	0		EBADHL
O=C(N[C@]12CCC[C@H]1CN(Cc1n[nH]c(=O)[n-]1)C2)c1cnc[n-]c1=O	ZINC001098892928	819385669	/nfs/dbraw/zinc/38/56/69/819385669.db2.gz	DHQQUKXSVOTHOM-VFZGTOFNSA-N	-2	3	345.363	-0.210	20	0		EBADHL
O=C1[N-]C(=O)[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)S1	ZINC001185613005	833363176	/nfs/dbraw/zinc/36/31/76/833363176.db2.gz	FHHXZGPXDRELAQ-SECBINFHSA-N	-2	3	340.346	-0.546	20	0		EBADHL
O=C1[N-]C(=O)[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)S1	ZINC001185613005	833363179	/nfs/dbraw/zinc/36/31/79/833363179.db2.gz	FHHXZGPXDRELAQ-SECBINFHSA-N	-2	3	340.346	-0.546	20	0		EBADHL
COC(=O)C(NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)=C(C)[O-]	ZINC001186207915	833392471	/nfs/dbraw/zinc/39/24/71/833392471.db2.gz	BHYFJKCNPKCBLJ-JTQLQIEISA-N	-2	3	333.293	-0.067	20	0		EBADHL
Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001132205416	829378892	/nfs/dbraw/zinc/37/88/92/829378892.db2.gz	BQKUVCYHWLVUGY-UHFFFAOYSA-N	-2	3	335.368	-0.043	20	0		EBADHL
CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCCCCP(=O)([O-])[O-]	ZINC001176380353	832671802	/nfs/dbraw/zinc/67/18/02/832671802.db2.gz	QMDAXYHOGHALJG-LLVKDONJSA-N	-2	3	332.297	-0.469	20	0		EBADHL
COC(=O)C(NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)=C(C)[O-]	ZINC001192743583	834725882	/nfs/dbraw/zinc/72/58/82/834725882.db2.gz	NZKZTULUYGIFIS-LBPRGKRZSA-N	-2	3	345.329	-0.441	20	0		EBADHL
O=C([O-])C1CCN(S(=O)(=O)N2CCc3c(=O)[n-]cnc3C2)CC1	ZINC001601830045	971062231	/nfs/dbraw/zinc/06/22/31/971062231.db2.gz	VZHGEWDMFILGPA-UHFFFAOYSA-N	-2	3	342.377	-0.418	20	0		EBADHL
O=c1cc(CN2C[C@@H]3C[C@]3(CO)C2)nc2c(-c3nnn[n-]3)c[n-]n21	ZINC001570926953	948700884	/nfs/dbraw/zinc/70/08/84/948700884.db2.gz	LATNNZLBMNGLEZ-RMLUDKJBSA-N	-2	3	328.336	-0.571	20	0		EBADHL
C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(-c2nnn[n-]2)cc1	ZINC001570927596	948715017	/nfs/dbraw/zinc/71/50/17/948715017.db2.gz	UHKRPYANRBUISK-LURJTMIESA-N	-2	3	328.292	-0.046	20	0		EBADHL
C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(-c2nn[n-]n2)cc1	ZINC001570927596	948715019	/nfs/dbraw/zinc/71/50/19/948715019.db2.gz	UHKRPYANRBUISK-LURJTMIESA-N	-2	3	328.292	-0.046	20	0		EBADHL
CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@]2(C(=O)[O-])CCCO2)[n-]1	ZINC001591278979	951110114	/nfs/dbraw/zinc/11/01/14/951110114.db2.gz	CSGGTNFGBWHKDN-UHLUBPPHSA-N	-2	3	326.309	-0.208	20	0		EBADHL
O=C([O-])COCCOCCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC001595115105	951942225	/nfs/dbraw/zinc/94/22/25/951942225.db2.gz	WXLBUOPQXBNLST-UHFFFAOYSA-N	-2	3	336.300	-0.582	20	0		EBADHL
O=C([O-])Cn1cccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1=O	ZINC001595154440	952157333	/nfs/dbraw/zinc/15/73/33/952157333.db2.gz	MQBZJPXJWUFTTG-UHFFFAOYSA-N	-2	3	330.300	-0.373	20	0		EBADHL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1	ZINC001595169246	952219019	/nfs/dbraw/zinc/21/90/19/952219019.db2.gz	NQDQVBIRVHFYGH-YFKPBYRVSA-N	-2	3	344.271	-0.028	20	0		EBADHL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1ncn[nH]1	ZINC001594888367	954484429	/nfs/dbraw/zinc/48/44/29/954484429.db2.gz	CCOVJRZSPDPWOQ-IMTBSYHQSA-N	-2	3	349.269	-0.530	20	0		EBADHL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCn1cnnn1	ZINC001594894839	954558146	/nfs/dbraw/zinc/55/81/46/954558146.db2.gz	AFZFHIWQOKQOGU-JGVFFNPUSA-N	-2	3	336.274	-0.731	20	0		EBADHL
O=C([O-])C1CCN(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)CC1	ZINC001594935040	954850562	/nfs/dbraw/zinc/85/05/62/954850562.db2.gz	HTLYVKSTDNRDNT-UHFFFAOYSA-N	-2	3	342.377	-0.418	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@@H]3CC(C(=O)[O-])=NO3)CC2)n1	ZINC001594269703	959787499	/nfs/dbraw/zinc/78/74/99/959787499.db2.gz	WLXWUOZXMJCQHH-NSHDSACASA-N	-2	3	349.347	-0.195	20	0		EBADHL
O=C([O-])c1nccc(N[C@H]2C[C@@H](NC(=O)c3cnc[n-]c3=O)C2)n1	ZINC001571188023	962230264	/nfs/dbraw/zinc/23/02/64/962230264.db2.gz	SDIZXTPNRNXJIZ-OCAPTIKFSA-N	-2	3	330.304	-0.535	20	0		EBADHL
CCCN1C[C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O	ZINC001571191215	962256616	/nfs/dbraw/zinc/25/66/16/962256616.db2.gz	SOYSXBRWHJVKHE-QMMMGPOBSA-N	-2	3	330.366	-0.355	20	0		EBADHL
CN1C(=O)C[C@H]([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC000316470701	964014923	/nfs/dbraw/zinc/01/49/23/964014923.db2.gz	NZRWOHIYEPCVQE-JTQLQIEISA-N	-2	3	326.330	-0.439	20	0		EBADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC(=O)NCC(F)(F)F	ZINC000393661882	972623843	/nfs/dbraw/zinc/62/38/43/972623843.db2.gz	SBWACEYTTIEKPF-UHFFFAOYSA-N	-2	3	330.244	-0.935	20	0		EBADHL
C[C@H](CNC(=O)c1cnc[n-]c1=O)N(C)c1ccnc(C(=O)[O-])n1	ZINC001592692688	979144459	/nfs/dbraw/zinc/14/44/59/979144459.db2.gz	YOZGKSMISNIRIO-MRVPVSSYSA-N	-2	3	332.320	-0.075	20	0		EBADHL
C[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])CN1CCOCC1	ZINC001592716799	979219100	/nfs/dbraw/zinc/21/91/00/979219100.db2.gz	ZWZPQCBIGYFGJO-SECBINFHSA-N	-2	3	332.382	-0.646	20	0		EBADHL
CN(C)c1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)n1C	ZINC001598359429	991491516	/nfs/dbraw/zinc/49/15/16/991491516.db2.gz	PFXBDLLWUVMOFP-UHFFFAOYSA-N	-2	3	329.338	-0.349	20	0		EBADHL
CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)CC2(C(=O)[O-])CCC2)C1=O	ZINC001591605150	992846566	/nfs/dbraw/zinc/84/65/66/992846566.db2.gz	DPYWULQDNXIPJV-SECBINFHSA-N	-2	3	332.378	-0.303	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)[O-])oc1C	ZINC001598951725	998166437	/nfs/dbraw/zinc/16/64/37/998166437.db2.gz	ZBTXVLCTAXJDSB-VIFPVBQESA-N	-2	3	335.334	-0.123	20	0		EBADHL
COC[C@@H](NC(=O)c1nc[n-]c(=O)c1Br)c1nn[n-]n1	ZINC001412600424	1129571993	/nfs/dbraw/zinc/57/19/93/1129571993.db2.gz	DGLKJQTXOHYPAC-SCSAIBSYSA-N	-2	3	344.129	-0.425	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c(C)o1	ZINC000263228332	290787616	/nfs/dbraw/zinc/78/76/16/290787616.db2.gz	ANCHRJMPKWXDLV-SECBINFHSA-N	-2	3	346.361	-0.188	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000262536584	299331868	/nfs/dbraw/zinc/33/18/68/299331868.db2.gz	UKKTZSSNQLBKIF-DTWKUNHWSA-N	-2	3	348.402	-0.273	20	0		EBADHL
O=C([O-])[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000262547671	304134607	/nfs/dbraw/zinc/13/46/07/304134607.db2.gz	WGPTUBZZBOHEAW-QMMMGPOBSA-N	-2	3	334.375	-0.662	20	0		EBADHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)c(F)c1	ZINC000092114067	376031465	/nfs/dbraw/zinc/03/14/65/376031465.db2.gz	FPIAFCZWCBRNLR-QMMMGPOBSA-N	-2	3	337.350	-0.011	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c(Cl)c1	ZINC000569379697	376425562	/nfs/dbraw/zinc/42/55/62/376425562.db2.gz	NAMMKCNTJNSNEK-MRVPVSSYSA-N	-2	3	337.737	-0.150	20	0		EBADHL
COC(=O)C(C)(C)CS(=O)(=O)[N-]Cc1ncc(C(=O)[O-])cn1	ZINC000600660936	376475451	/nfs/dbraw/zinc/47/54/51/376475451.db2.gz	YJTUEJNQHODXSN-UHFFFAOYSA-N	-2	3	331.350	-0.207	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F	ZINC000574618289	376794266	/nfs/dbraw/zinc/79/42/66/376794266.db2.gz	MQYLUMRVZYSADV-UHFFFAOYSA-N	-2	3	341.267	-0.421	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c(F)c1	ZINC000570852481	377291520	/nfs/dbraw/zinc/29/15/20/377291520.db2.gz	GKEVVMVMJYFIES-SECBINFHSA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c(C)o1	ZINC000274903606	379723558	/nfs/dbraw/zinc/72/35/58/379723558.db2.gz	IVPQJQXFSNPPDQ-LURJTMIESA-N	-3	3	335.290	-0.419	20	0		EBADHL
O=C([O-])[C@H]1CC(=O)N(CC[N-]S(=O)(=O)c2cncc(Cl)c2)C1	ZINC000274968454	379727287	/nfs/dbraw/zinc/72/72/87/379727287.db2.gz	KFFCMRNPVCHVKO-QMMMGPOBSA-N	-2	3	347.780	-0.054	20	0		EBADHL
COCCn1cc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])cn1	ZINC000275233675	379744974	/nfs/dbraw/zinc/74/49/74/379744974.db2.gz	JMHICWALYQFTDI-MRVPVSSYSA-N	-2	3	327.309	-0.084	20	0		EBADHL
COC(=O)c1nscc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1	ZINC000619708970	379928678	/nfs/dbraw/zinc/92/86/78/379928678.db2.gz	HBEUEBAWZDIYKK-SNVBAGLBSA-N	-2	3	336.347	-0.548	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1cccs1)NCCc1nc(=O)o[n-]1	ZINC000280132085	379970862	/nfs/dbraw/zinc/97/08/62/379970862.db2.gz	PKAUKMPWLUDVRT-UHFFFAOYSA-N	-2	3	332.363	-0.938	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2nc(=O)o[n-]2)ccc1F	ZINC000280179397	379973252	/nfs/dbraw/zinc/97/32/52/379973252.db2.gz	SUYFXDLBIDWKBR-UHFFFAOYSA-N	-2	3	344.324	-0.617	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCOCC(=O)[O-]	ZINC000630261979	380023462	/nfs/dbraw/zinc/02/34/62/380023462.db2.gz	GMDUUFMIDSVGIV-MRVPVSSYSA-N	-2	3	336.391	-0.368	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)c(C)o1	ZINC000630254771	380024447	/nfs/dbraw/zinc/02/44/47/380024447.db2.gz	ZBXIYHVKKNDVAS-CYBMUJFWSA-N	-2	3	346.361	-0.188	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-]	ZINC000547895931	380169727	/nfs/dbraw/zinc/16/97/27/380169727.db2.gz	CWYQDCLKQJVALU-QMMMGPOBSA-N	-2	3	335.309	-0.010	20	0		EBADHL
COC(=O)Cc1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)OC)c2)[n-]1	ZINC000358949136	380242200	/nfs/dbraw/zinc/24/22/00/380242200.db2.gz	TXFZAELRNCEKER-UHFFFAOYSA-N	-2	3	343.321	-0.564	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000358957513	380242651	/nfs/dbraw/zinc/24/26/51/380242651.db2.gz	VURMQSFNYDYPKR-ZCFIWIBFSA-N	-2	3	344.353	-0.902	20	0		EBADHL
CN(C[C@H](O)CNC(=O)c1cncc([O-])c1)C(=O)c1cncc([O-])c1	ZINC000615215172	380295097	/nfs/dbraw/zinc/29/50/97/380295097.db2.gz	IJPLESQWDYWUIK-CQSZACIVSA-N	-2	3	346.343	-0.249	20	0		EBADHL
CN(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CCO1	ZINC000566223592	380453268	/nfs/dbraw/zinc/45/32/68/380453268.db2.gz	GQEYAFXRKQXNGO-ADEWGFFLSA-N	-2	3	328.365	-0.413	20	0		EBADHL
CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000278146140	380598544	/nfs/dbraw/zinc/59/85/44/380598544.db2.gz	OALPKOPAHPOIPS-VIFPVBQESA-N	-2	3	333.366	-0.197	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c(F)c1	ZINC000573361872	380671043	/nfs/dbraw/zinc/67/10/43/380671043.db2.gz	QFBJQARVQVKZBC-LDWIPMOCSA-N	-2	3	335.309	-0.275	20	0		EBADHL
COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000576820840	380785970	/nfs/dbraw/zinc/78/59/70/380785970.db2.gz	WTRFIPYJONVAHJ-GFCCVEGCSA-N	-2	3	333.366	-0.176	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F	ZINC000578036502	380880152	/nfs/dbraw/zinc/88/01/52/380880152.db2.gz	FWGFKLCECMQGCV-QMMMGPOBSA-N	-2	3	328.337	-0.068	20	0		EBADHL
C[C@](O)(C[N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-]	ZINC000090277071	380927605	/nfs/dbraw/zinc/92/76/05/380927605.db2.gz	ZKAHRUIUTIKHHR-VIFPVBQESA-N	-2	3	339.167	-0.042	20	0		EBADHL
CCOC[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-]	ZINC000580958273	381046089	/nfs/dbraw/zinc/04/60/89/381046089.db2.gz	SKGUMBXYDFFXEW-ZETCQYMHSA-N	-2	3	337.379	-0.131	20	0		EBADHL
O=C([O-])CSCCNC(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000262370020	154227890	/nfs/dbraw/zinc/22/78/90/154227890.db2.gz	GCFZJWOVCMZGSP-UHFFFAOYSA-N	-2	3	338.432	-0.040	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000262548305	154237206	/nfs/dbraw/zinc/23/72/06/154237206.db2.gz	SOOBXZLWAUCMIS-HQJQHLMTSA-N	-2	3	336.391	-0.633	20	0		EBADHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)c1	ZINC000342779715	156058107	/nfs/dbraw/zinc/05/81/07/156058107.db2.gz	NNWCQXAMFNYWLJ-UHFFFAOYSA-N	-2	3	326.334	-0.117	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(N)=O	ZINC000342976488	156080173	/nfs/dbraw/zinc/08/01/73/156080173.db2.gz	JTQDIDPIESHQDF-LURJTMIESA-N	-2	3	339.370	-0.651	20	0		EBADHL
O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCc1n[nH]c(=O)[n-]1	ZINC000359812675	157344983	/nfs/dbraw/zinc/34/49/83/157344983.db2.gz	GXMPQKMAOWPHFU-UHFFFAOYSA-N	-2	3	343.340	-0.366	20	0		EBADHL
CC[C@H](C(=O)[O-])N(C)C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000653340461	419253599	/nfs/dbraw/zinc/25/35/99/419253599.db2.gz	JSMGOUFIYFVYEB-SNVBAGLBSA-N	-2	3	346.409	-0.281	20	0		EBADHL
CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C	ZINC000519546236	419532584	/nfs/dbraw/zinc/53/25/84/419532584.db2.gz	WUPSFFMYACRIIE-UHFFFAOYSA-N	-2	3	336.391	-0.310	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-])c1	ZINC000516229888	420510455	/nfs/dbraw/zinc/51/04/55/420510455.db2.gz	IPUAEIQYALWLCK-SNVBAGLBSA-N	-2	3	335.309	-0.010	20	0		EBADHL
C[C@]1(c2ccc(CNC(=O)c3n[nH]c(=O)[n-]3)cc2)NC(=O)[N-]C1=O	ZINC000523621441	420725518	/nfs/dbraw/zinc/72/55/18/420725518.db2.gz	AXJYRUUKVGVINF-CQSZACIVSA-N	-2	3	330.304	-0.505	20	0		EBADHL
Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C2	ZINC000656180912	420882874	/nfs/dbraw/zinc/88/28/74/420882874.db2.gz	PUVTUCXKVZQXDT-SSDOTTSWSA-N	-2	3	326.334	-0.058	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000447634446	265375478	/nfs/dbraw/zinc/37/54/78/265375478.db2.gz	QDLIUQZWHCVNDZ-UHFFFAOYSA-N	-2	3	326.334	-0.293	20	0		EBADHL
CC(=O)NCc1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)s1	ZINC000376739885	278124851	/nfs/dbraw/zinc/12/48/51/278124851.db2.gz	NOOSEAWZCMOTOU-GFCCVEGCSA-N	-2	3	348.402	-0.094	20	0		EBADHL
CC(C)(C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])S(C)(=O)=O	ZINC000093523994	545928022	/nfs/dbraw/zinc/92/80/22/545928022.db2.gz	ARLXZWGBDQZLJU-UHFFFAOYSA-N	-2	3	325.368	-0.791	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)c(C)o1	ZINC000673546246	546143181	/nfs/dbraw/zinc/14/31/81/546143181.db2.gz	XEVAONGRFZBKIO-UHFFFAOYSA-N	-2	3	342.377	-0.118	20	0		EBADHL
COC(=O)CN(CC(=O)[O-])C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000737609008	583020994	/nfs/dbraw/zinc/02/09/94/583020994.db2.gz	SIWGVNMAFXSPTP-UHFFFAOYSA-N	-2	3	344.345	-0.242	20	0		EBADHL
COc1ccc([C@H](CC(=O)[O-])NC(=O)CN2CC(=O)[N-]C2=O)cc1	ZINC000737952592	583035277	/nfs/dbraw/zinc/03/52/77/583035277.db2.gz	LSKVSDVOGDMTHM-NSHDSACASA-N	-2	3	335.316	-0.121	20	0		EBADHL
COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1	ZINC000838917840	583058669	/nfs/dbraw/zinc/05/86/69/583058669.db2.gz	RHDSKLVETSKGDE-ZETCQYMHSA-N	-2	3	326.334	-0.038	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1F	ZINC000752816638	583156813	/nfs/dbraw/zinc/15/68/13/583156813.db2.gz	MEKQIBHGOARVKC-UHFFFAOYSA-N	-2	3	329.313	-0.513	20	0		EBADHL
CS(=O)(=O)c1ccc(NC(=O)c2c([O-])[nH]c(=O)[n-]c2=O)cc1	ZINC000757707803	583194783	/nfs/dbraw/zinc/19/47/83/583194783.db2.gz	OIOABOPNADSYKR-UHFFFAOYSA-N	-2	3	325.302	-0.989	20	0		EBADHL
C[C@@H](CC(=O)Nc1nnn[n-]1)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000760613893	583230359	/nfs/dbraw/zinc/23/03/59/583230359.db2.gz	VKPMEDWMRBDNNR-LURJTMIESA-N	-2	3	345.772	-0.056	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)OCc1nc(=O)n(C)[n-]1	ZINC000765436053	583282414	/nfs/dbraw/zinc/28/24/14/583282414.db2.gz	WUQFFKAOLKTTMT-SSDOTTSWSA-N	-2	3	346.390	-0.420	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)C(=O)[O-])ccc1F	ZINC000769746630	583327124	/nfs/dbraw/zinc/32/71/24/583327124.db2.gz	MDWPWPDMEICJEV-LBPRGKRZSA-N	-2	3	334.325	-0.701	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)c2ccccc2)c1	ZINC000776599128	583407142	/nfs/dbraw/zinc/40/71/42/583407142.db2.gz	FQTOWOBGUFYCQG-NWDGAFQWSA-N	-2	3	325.346	-0.115	20	0		EBADHL
O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1cccc2nonc21	ZINC000781871304	583462489	/nfs/dbraw/zinc/46/24/89/583462489.db2.gz	FUXUWDRSALGDOI-UHFFFAOYSA-N	-2	3	328.306	-0.908	20	0		EBADHL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc2c(cc1[O-])OCO2	ZINC000800548757	583615516	/nfs/dbraw/zinc/61/55/16/583615516.db2.gz	BWFGUDLZWDHWNB-UHFFFAOYSA-N	-2	3	330.318	-0.683	20	0		EBADHL
Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nnn1C	ZINC000822020910	583807244	/nfs/dbraw/zinc/80/72/44/583807244.db2.gz	NIQATENMGMOFGN-UHFFFAOYSA-N	-2	3	348.348	-0.578	20	0		EBADHL
Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nnn1C	ZINC000822020910	583807247	/nfs/dbraw/zinc/80/72/47/583807247.db2.gz	NIQATENMGMOFGN-UHFFFAOYSA-N	-2	3	348.348	-0.578	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000822645697	583815409	/nfs/dbraw/zinc/81/54/09/583815409.db2.gz	LDNJKVIWZBSUKK-MRVPVSSYSA-N	-2	3	326.338	-0.946	20	0		EBADHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000822645697	583815411	/nfs/dbraw/zinc/81/54/11/583815411.db2.gz	LDNJKVIWZBSUKK-MRVPVSSYSA-N	-2	3	326.338	-0.946	20	0		EBADHL
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F	ZINC000822903651	583821585	/nfs/dbraw/zinc/82/15/85/583821585.db2.gz	MXRARQPSFUBEFT-UHFFFAOYSA-N	-2	3	346.282	-0.281	20	0		EBADHL
CC(C)(NC(=O)[O-])c1noc(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)n1	ZINC000824030047	583840304	/nfs/dbraw/zinc/84/03/04/583840304.db2.gz	QMPLNVLTMPSFGB-ZETCQYMHSA-N	-2	3	338.324	-0.692	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000824731063	583849339	/nfs/dbraw/zinc/84/93/39/583849339.db2.gz	RUKKMVDLVGKUGW-BXKDBHETSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000824731063	583849340	/nfs/dbraw/zinc/84/93/40/583849340.db2.gz	RUKKMVDLVGKUGW-BXKDBHETSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C(=O)O1	ZINC000824894299	583851815	/nfs/dbraw/zinc/85/18/15/583851815.db2.gz	XQZOKJGWIOSXLZ-KCJUWKMLSA-N	-2	3	337.361	-0.010	20	0		EBADHL
C[C@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@H]1CNC(=O)[O-]	ZINC000825914167	583870666	/nfs/dbraw/zinc/87/06/66/583870666.db2.gz	XUSFCJWFGUOFHM-BQBZGAKWSA-N	-2	3	325.325	-0.022	20	0		EBADHL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N	ZINC000826124407	583880671	/nfs/dbraw/zinc/88/06/71/583880671.db2.gz	BQWMNLZWTKBSAM-NTSWFWBYSA-N	-2	3	341.324	-0.297	20	0		EBADHL
Cn1cnc(C[N-]S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1	ZINC000826364724	583894784	/nfs/dbraw/zinc/89/47/84/583894784.db2.gz	IGSHANCOCUHGJI-UHFFFAOYSA-N	-2	3	338.328	-0.387	20	0		EBADHL
Cn1cnc(C[N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1	ZINC000826364724	583894785	/nfs/dbraw/zinc/89/47/85/583894785.db2.gz	IGSHANCOCUHGJI-UHFFFAOYSA-N	-2	3	338.328	-0.387	20	0		EBADHL
O=C([N-]S(=O)(=O)N1CCCCC1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826449870	583902687	/nfs/dbraw/zinc/90/26/87/583902687.db2.gz	MVURRTVNZPWVNF-UHFFFAOYSA-N	-2	3	325.354	-0.345	20	0		EBADHL
O=C([N-]S(=O)(=O)N1CCCCC1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826449870	583902689	/nfs/dbraw/zinc/90/26/89/583902689.db2.gz	MVURRTVNZPWVNF-UHFFFAOYSA-N	-2	3	325.354	-0.345	20	0		EBADHL
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1	ZINC000826461340	583902826	/nfs/dbraw/zinc/90/28/26/583902826.db2.gz	QNRPQVBELYUKJP-SNVBAGLBSA-N	-2	3	339.333	-0.659	20	0		EBADHL
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1	ZINC000826461340	583902829	/nfs/dbraw/zinc/90/28/29/583902829.db2.gz	QNRPQVBELYUKJP-SNVBAGLBSA-N	-2	3	339.333	-0.659	20	0		EBADHL
C[C@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-]	ZINC000827553292	583923647	/nfs/dbraw/zinc/92/36/47/583923647.db2.gz	MIEZBPVFFPOFLH-NXEZZACHSA-N	-2	3	344.393	-0.444	20	0		EBADHL
CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)N1CCOCC1	ZINC000828994114	583949901	/nfs/dbraw/zinc/94/99/01/583949901.db2.gz	BZXCHCCTBMCDOP-VIFPVBQESA-N	-2	3	346.361	-0.107	20	0		EBADHL
CCNS(=O)(=O)CC[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000829277959	583952297	/nfs/dbraw/zinc/95/22/97/583952297.db2.gz	DBVRDNVYEVFOQX-UHFFFAOYSA-N	-2	3	343.408	-0.941	20	0		EBADHL
Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])on1	ZINC000830096823	583963836	/nfs/dbraw/zinc/96/38/36/583963836.db2.gz	LEMHBHCPVUGWBJ-YIZRAAEISA-N	-2	3	327.293	-0.034	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)OC)oc1C	ZINC000831343182	583981885	/nfs/dbraw/zinc/98/18/85/583981885.db2.gz	DJVMYSFCDCSQAX-QMMMGPOBSA-N	-2	3	349.317	-0.331	20	0		EBADHL
CON(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000831836939	583992567	/nfs/dbraw/zinc/99/25/67/583992567.db2.gz	SAQBPEFTABOYAT-BDAKNGLRSA-N	-2	3	342.439	-0.232	20	0		EBADHL
O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000832758094	584001767	/nfs/dbraw/zinc/00/17/67/584001767.db2.gz	WPZATMPDOMKSDJ-NWDGAFQWSA-N	-2	3	346.343	-0.372	20	0		EBADHL
NC(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)O1	ZINC000833080578	584004475	/nfs/dbraw/zinc/00/44/75/584004475.db2.gz	BKNDQRVUQNPTAX-YUMQZZPRSA-N	-2	3	334.375	-0.243	20	0		EBADHL
O=C([O-])c1cn(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)nn1	ZINC000833120624	584005983	/nfs/dbraw/zinc/00/59/83/584005983.db2.gz	HISYFYDMZKFJSQ-UHFFFAOYSA-N	-2	3	328.292	-0.527	20	0		EBADHL
O=C([O-])c1cn(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)nn1	ZINC000833120624	584005984	/nfs/dbraw/zinc/00/59/84/584005984.db2.gz	HISYFYDMZKFJSQ-UHFFFAOYSA-N	-2	3	328.292	-0.527	20	0		EBADHL
O=C([O-])c1cn(CC(=O)NCCNC(=O)c2ccc([O-])cc2)nn1	ZINC000833120636	584006044	/nfs/dbraw/zinc/00/60/44/584006044.db2.gz	IPZXESAMIPPKRU-UHFFFAOYSA-N	-2	3	333.304	-0.772	20	0		EBADHL
O=C([O-])CNC(=O)CCN1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000833250568	584007569	/nfs/dbraw/zinc/00/75/69/584007569.db2.gz	KPFGKQBGNJMONI-UHFFFAOYSA-N	-2	3	335.360	-0.259	20	0		EBADHL
O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)c2c[n-]nn2)cc1	ZINC000833263158	584007827	/nfs/dbraw/zinc/00/78/27/584007827.db2.gz	HQFVQJVVXSUXOB-UHFFFAOYSA-N	-2	3	338.345	-0.266	20	0		EBADHL
O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)c2cnn[n-]2)cc1	ZINC000833263158	584007828	/nfs/dbraw/zinc/00/78/28/584007828.db2.gz	HQFVQJVVXSUXOB-UHFFFAOYSA-N	-2	3	338.345	-0.266	20	0		EBADHL
O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)c2cn[n-]n2)cc1	ZINC000833263158	584007829	/nfs/dbraw/zinc/00/78/29/584007829.db2.gz	HQFVQJVVXSUXOB-UHFFFAOYSA-N	-2	3	338.345	-0.266	20	0		EBADHL
O=C([O-])Cn1cc(CCS(=O)(=O)c2nc(C3CC3)n[n-]2)nn1	ZINC000833271993	584007955	/nfs/dbraw/zinc/00/79/55/584007955.db2.gz	RKIHNAUYIBYJQU-UHFFFAOYSA-N	-2	3	326.338	-0.625	20	0		EBADHL
O=C([O-])Cn1cc(CCS(=O)(=O)c2nnc(C3CC3)[n-]2)nn1	ZINC000833271993	584007958	/nfs/dbraw/zinc/00/79/58/584007958.db2.gz	RKIHNAUYIBYJQU-UHFFFAOYSA-N	-2	3	326.338	-0.625	20	0		EBADHL
CCC(CC)(CNC(=O)[O-])C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000833842336	584017180	/nfs/dbraw/zinc/01/71/80/584017180.db2.gz	TUCLTLITMDWRFK-AWEZNQCLSA-N	-2	3	326.353	-0.129	20	0		EBADHL
O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000834151479	584027238	/nfs/dbraw/zinc/02/72/38/584027238.db2.gz	WPZATMPDOMKSDJ-VXGBXAGGSA-N	-2	3	346.343	-0.372	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1	ZINC000846003157	584119393	/nfs/dbraw/zinc/11/93/93/584119393.db2.gz	XRAKVFHRGVBREG-UHFFFAOYSA-N	-2	3	349.434	-0.227	20	0		EBADHL
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000740341186	603095800	/nfs/dbraw/zinc/09/58/00/603095800.db2.gz	CBRFRDYKSYDZEE-ZETCQYMHSA-N	-2	3	325.325	-0.020	20	0		EBADHL
O=C(N[C@@H]1CCN(C(=O)c2ccccc2[O-])C1)c1n[nH]c(=O)[n-]c1=O	ZINC000941791623	652911539	/nfs/dbraw/zinc/91/15/39/652911539.db2.gz	AMHJKFIEHUPWED-MRVPVSSYSA-N	-2	3	345.315	-0.367	20	0		EBADHL
C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1NC(=O)c1cnc[n-]c1=O	ZINC000942168237	653051986	/nfs/dbraw/zinc/05/19/86/653051986.db2.gz	OZTMXAJMPHBJHQ-WCBMZHEXSA-N	-2	3	333.352	-0.354	20	0		EBADHL
O=C(N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21)c1cnc[n-]c1=O	ZINC000976712843	726396460	/nfs/dbraw/zinc/39/64/60/726396460.db2.gz	HDIJTELDMXJFOS-IAZYJMLFSA-N	-2	3	341.327	-0.217	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001001752063	726621832	/nfs/dbraw/zinc/62/18/32/726621832.db2.gz	STVUXILYBLQLOT-UHFFFAOYSA-N	-2	3	347.379	-0.044	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC001012960288	727711751	/nfs/dbraw/zinc/71/17/51/727711751.db2.gz	FZZILAMOXCTREW-APPZFPTMSA-N	-2	3	346.347	-0.048	20	0		EBADHL
CCN(C(=O)c1cnc[n-]c1=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001033871631	731082498	/nfs/dbraw/zinc/08/24/98/731082498.db2.gz	NQDKIVHRJDSKEA-SECBINFHSA-N	-2	3	333.352	-0.258	20	0		EBADHL
O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnc(C2CC2)[n-]c1=O	ZINC001038783241	731376341	/nfs/dbraw/zinc/37/63/41/731376341.db2.gz	ZVENRUALPCQCHI-VIFPVBQESA-N	-2	3	345.363	-0.112	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CC[C@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001041391543	732111949	/nfs/dbraw/zinc/11/19/49/732111949.db2.gz	FXZQORHMKFITSI-HNNXBMFYSA-N	-2	3	345.363	-0.256	20	0		EBADHL
O=C([O-])C[C@H](O)C(=O)Oc1ncnc2[n-]nc(Br)c21	ZINC001226666605	811877263	/nfs/dbraw/zinc/87/72/63/811877263.db2.gz	MMGPNNLKAQIVCZ-VKHMYHEASA-N	-2	3	331.082	-0.144	20	0		EBADHL
O=C(Oc1ccc(-c2nnn[n-]2)cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001231077358	812271329	/nfs/dbraw/zinc/27/13/29/812271329.db2.gz	SPKLVSBEZYQYNO-MRVPVSSYSA-N	-3	3	330.193	-0.758	20	0		EBADHL
O=C(Oc1ccc(-c2nn[n-]n2)cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001231077358	812271336	/nfs/dbraw/zinc/27/13/36/812271336.db2.gz	SPKLVSBEZYQYNO-MRVPVSSYSA-N	-3	3	330.193	-0.758	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)[C@H](O)C(=O)[O-]	ZINC001231076935	812271433	/nfs/dbraw/zinc/27/14/33/812271433.db2.gz	OSKQPJGVKJCFSV-WPRPVWTQSA-N	-3	3	336.260	-0.692	20	0		EBADHL
CN1C(=O)Cc2cc(S(=O)(=O)NCCP(=O)([O-])[O-])ccc21	ZINC001260162594	812826454	/nfs/dbraw/zinc/82/64/54/812826454.db2.gz	HBCPAOINEGKNHZ-UHFFFAOYSA-N	-2	3	334.290	-0.339	20	0		EBADHL
O=c1[nH]c(=O)c2cc(S(=O)(=O)NCCP(=O)([O-])[O-])ccc2[nH]1	ZINC001260619349	812844968	/nfs/dbraw/zinc/84/49/68/812844968.db2.gz	OUBBKZWPIHANHO-UHFFFAOYSA-N	-2	3	349.261	-0.503	20	0		EBADHL
C[C@H]1C[C@H]1C(=O)NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1	ZINC001087254572	816480884	/nfs/dbraw/zinc/48/08/84/816480884.db2.gz	LFKHBUDGQUATLF-IONNQARKSA-N	-2	3	333.352	-0.432	20	0		EBADHL
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2[O-])C3)nc1=O	ZINC001096990605	818921791	/nfs/dbraw/zinc/92/17/91/818921791.db2.gz	LOCBMIWQDACKSF-MXWKQRLJSA-N	-2	3	344.375	-0.256	20	0		EBADHL
NC(=O)c1nc(C[N-]S(=O)(=O)c2ccccc2C(=O)[O-])no1	ZINC001198798327	835724948	/nfs/dbraw/zinc/72/49/48/835724948.db2.gz	WETHMFGYIOECQU-UHFFFAOYSA-N	-2	3	326.290	-0.655	20	0		EBADHL
COCCn1cc(S(=O)(=O)[N-]N=c2[n-]ncc(N)c2Cl)cn1	ZINC001319591590	838156419	/nfs/dbraw/zinc/15/64/19/838156419.db2.gz	LBZDFCZIQIOJGE-UHFFFAOYSA-N	-2	3	347.788	-0.140	20	0		EBADHL
Cn1ncc(S(=O)(=O)[N-]CCOCC(=O)[O-])c1Br	ZINC001605561408	973794978	/nfs/dbraw/zinc/79/49/78/973794978.db2.gz	HOBYHTOCTHZIOD-UHFFFAOYSA-N	-2	3	342.171	-0.438	20	0		EBADHL
O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC001570945476	949485301	/nfs/dbraw/zinc/48/53/01/949485301.db2.gz	AFBAZEAGZZDOIV-MRVPVSSYSA-N	-2	3	344.339	-0.977	20	0		EBADHL
O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC001570945476	949485314	/nfs/dbraw/zinc/48/53/14/949485314.db2.gz	AFBAZEAGZZDOIV-MRVPVSSYSA-N	-2	3	344.339	-0.977	20	0		EBADHL
CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)[C@H](OC)C(=O)[O-]	ZINC001591280418	951128095	/nfs/dbraw/zinc/12/80/95/951128095.db2.gz	RKTDDCHUBVUPMC-XVKPBYJWSA-N	-2	3	326.309	-0.256	20	0		EBADHL
CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@H](OC)C(=O)[O-]	ZINC001591280418	951128101	/nfs/dbraw/zinc/12/81/01/951128101.db2.gz	RKTDDCHUBVUPMC-XVKPBYJWSA-N	-2	3	326.309	-0.256	20	0		EBADHL
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1	ZINC001594960319	955009795	/nfs/dbraw/zinc/00/97/95/955009795.db2.gz	VSCCPPGORYUUND-VIFPVBQESA-N	-2	3	341.345	-0.617	20	0		EBADHL
C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1nc(C(F)(F)F)n[n-]1	ZINC001589120700	956117673	/nfs/dbraw/zinc/11/76/73/956117673.db2.gz	WCJWCIKCPMFYNP-SCSAIBSYSA-N	-2	3	333.230	-0.009	20	0		EBADHL
CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)COCC(=O)[O-]	ZINC001594171632	959004541	/nfs/dbraw/zinc/00/45/41/959004541.db2.gz	URHJZTMEMHQQHP-UHFFFAOYSA-N	-2	3	334.325	-0.085	20	0		EBADHL
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CNC(=O)c1ccc([O-])cc1)C2	ZINC001605753050	972415459	/nfs/dbraw/zinc/41/54/59/972415459.db2.gz	WPHRDCWGOYRTKV-ZBEGNZNMSA-N	-2	3	334.328	-0.318	20	0		EBADHL
Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cccn(CC(=O)[O-])c1=O)C2	ZINC001594460484	959452669	/nfs/dbraw/zinc/45/26/69/959452669.db2.gz	WNWYDXBVLMRDPK-UHFFFAOYSA-N	-2	3	330.300	-0.107	20	0		EBADHL
O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1	ZINC001571216859	962514494	/nfs/dbraw/zinc/51/44/94/962514494.db2.gz	COOYLRPUQKYIHX-KYXWUPHJSA-N	-2	3	334.332	-0.473	20	0		EBADHL
COC(=O)[C@]1([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCSC1	ZINC001571223680	962563729	/nfs/dbraw/zinc/56/37/29/962563729.db2.gz	KKDWULQIRKNPQM-JTQLQIEISA-N	-2	3	335.363	-0.565	20	0		EBADHL
O=C([O-])CN1CCCC[C@H]([N-]S(=O)(=O)c2cscn2)C1=O	ZINC001606258957	973615951	/nfs/dbraw/zinc/61/59/51/973615951.db2.gz	KIAXPAQAUNMIPW-QMMMGPOBSA-N	-2	3	333.391	-0.113	20	0		EBADHL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-][C@@H]1COc2ccccc2[C@H]1O	ZINC001606388527	973839423	/nfs/dbraw/zinc/83/94/23/973839423.db2.gz	PGAGFMKHPUINST-NTZNESFSSA-N	-2	3	342.373	-0.136	20	0		EBADHL
C[C@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)c1cnc[n-]c1=O	ZINC001592593991	978528030	/nfs/dbraw/zinc/52/80/30/978528030.db2.gz	PFXCHYMTHFOSLO-MRVPVSSYSA-N	-2	3	332.320	-0.075	20	0		EBADHL
CC[C@@](COC)([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-]	ZINC001595199796	979944257	/nfs/dbraw/zinc/94/42/57/979944257.db2.gz	NHOPHEKNTBLEAA-UGZDLDLSSA-N	-2	3	331.416	-0.725	20	0		EBADHL
CC[C@@](COC)([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)[O-]	ZINC001595200272	979948561	/nfs/dbraw/zinc/94/85/61/979948561.db2.gz	WRQPXYYXYVLYDT-LBPRGKRZSA-N	-2	3	349.365	-0.337	20	0		EBADHL
CCCN(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1c(C)noc1C	ZINC001595848480	982778152	/nfs/dbraw/zinc/77/81/52/982778152.db2.gz	KDMVRFRXRDTBCE-UHFFFAOYSA-N	-2	3	333.366	-0.107	20	0		EBADHL
CC(C)(C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@]1(O)CCOC1	ZINC001590776716	990581226	/nfs/dbraw/zinc/58/12/26/990581226.db2.gz	ONDIBSQPLLJVGB-GFCCVEGCSA-N	-2	3	333.366	-0.436	20	0		EBADHL
CC(C)(C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@]1(O)CCCOC1	ZINC001590777102	990582086	/nfs/dbraw/zinc/58/20/86/990582086.db2.gz	WDRHRSGULYBMMA-ZDUSSCGKSA-N	-2	3	347.393	-0.046	20	0		EBADHL
CN(CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])CC(F)(F)F	ZINC001598494002	992337762	/nfs/dbraw/zinc/33/77/62/992337762.db2.gz	JGCDCXWCSZMSAR-UHFFFAOYSA-N	-2	3	330.288	-0.120	20	0		EBADHL
CN1C(=O)C[C@H]([N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])C1=O	ZINC001598549368	992984610	/nfs/dbraw/zinc/98/46/10/992984610.db2.gz	POTORQQCYDPFDT-JTQLQIEISA-N	-2	3	326.330	-0.439	20	0		EBADHL
COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001598696973	995155467	/nfs/dbraw/zinc/15/54/67/995155467.db2.gz	GXKFAQDDHXTLLQ-QMMMGPOBSA-N	-2	3	344.336	-0.186	20	0		EBADHL
COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001598697055	995156826	/nfs/dbraw/zinc/15/68/26/995156826.db2.gz	HRABTRZPROZKTH-RXMQYKEDSA-N	-2	3	327.265	-0.417	20	0		EBADHL
CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@](C)(C(=O)[O-])C1	ZINC001599129616	997918161	/nfs/dbraw/zinc/91/81/61/997918161.db2.gz	IASCIWNUNGTVNL-XPTSAGLGSA-N	-2	3	332.320	-0.034	20	0		EBADHL
CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@](C)(C(=O)[O-])C1	ZINC001599129616	997918177	/nfs/dbraw/zinc/91/81/77/997918177.db2.gz	IASCIWNUNGTVNL-XPTSAGLGSA-N	-2	3	332.320	-0.034	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)co1	ZINC001412483389	1129539125	/nfs/dbraw/zinc/53/91/25/1129539125.db2.gz	AIHCVHLUVNAYPE-ZETCQYMHSA-N	-2	3	326.338	-0.670	20	0		EBADHL
O=C(CCc1nnn[n-]1)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC001362234414	1131541733	/nfs/dbraw/zinc/54/17/33/1131541733.db2.gz	RVOGTCZPZGCELJ-UHFFFAOYSA-N	-2	3	330.348	-0.178	20	0		EBADHL
COC(=O)C1(CS(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])CCCCC1	ZINC000263466553	290892831	/nfs/dbraw/zinc/89/28/31/290892831.db2.gz	GITBPQREBHQMEI-GFCCVEGCSA-N	-2	3	337.394	-0.135	20	0		EBADHL
O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000372311031	304073716	/nfs/dbraw/zinc/07/37/16/304073716.db2.gz	XKJXFKYXZGZVII-QMMMGPOBSA-N	-3	3	331.350	-0.327	20	0		EBADHL
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c1	ZINC000036969024	375963369	/nfs/dbraw/zinc/96/33/69/375963369.db2.gz	VXVIUTUKKQSGKI-QMMMGPOBSA-N	-2	3	337.737	-0.150	20	0		EBADHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@@H]1CCCOC1	ZINC000584111489	376177382	/nfs/dbraw/zinc/17/73/82/376177382.db2.gz	GWZDPAHVALFSDZ-KOLCDFICSA-N	-2	3	345.377	-0.176	20	0		EBADHL
C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C[C@H]1C(=O)[O-]	ZINC000564976818	376692487	/nfs/dbraw/zinc/69/24/87/376692487.db2.gz	BLQQWJUDEBBOJC-VHSXEESVSA-N	-2	3	344.393	-0.732	20	0		EBADHL
CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000572997623	377195616	/nfs/dbraw/zinc/19/56/16/377195616.db2.gz	DWLTUEGEKHFLEI-ZCFIWIBFSA-N	-2	3	342.420	-0.057	20	0		EBADHL
Cc1oc(S(=O)(=O)[N-][C@H](C)CS(C)(=O)=O)cc1C(=O)[O-]	ZINC000563073353	377616260	/nfs/dbraw/zinc/61/62/60/377616260.db2.gz	SSTTXUDWVIXHBT-ZCFIWIBFSA-N	-2	3	325.364	-0.002	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])oc1C	ZINC000274868357	379718796	/nfs/dbraw/zinc/71/87/96/379718796.db2.gz	ABIBENPTDFHGNU-ZETCQYMHSA-N	-3	3	335.290	-0.419	20	0		EBADHL
CC[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C(=O)[O-]	ZINC000274909141	379722767	/nfs/dbraw/zinc/72/27/67/379722767.db2.gz	KDYRSJMSSZQFIG-QMMMGPOBSA-N	-2	3	342.333	-0.824	20	0		EBADHL
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000274975956	379729871	/nfs/dbraw/zinc/72/98/71/379729871.db2.gz	XBFRUGFRLBCSPQ-JTQLQIEISA-N	-2	3	346.336	-0.176	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])nc1Cl	ZINC000275820338	379784258	/nfs/dbraw/zinc/78/42/58/379784258.db2.gz	YZVBTAWWWPIYMC-JTQLQIEISA-N	-2	3	325.774	-0.175	20	0		EBADHL
CC(C)Cn1cnc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])c1	ZINC000278169046	379915772	/nfs/dbraw/zinc/91/57/72/379915772.db2.gz	DDMMJWFNNYRITQ-UHFFFAOYSA-N	-2	3	332.382	-0.592	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)cn1	ZINC000280015742	379968427	/nfs/dbraw/zinc/96/84/27/379968427.db2.gz	OFAMNFCSJGCROS-RKDXNWHRSA-N	-2	3	346.386	-0.207	20	0		EBADHL
Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1C(N)=O	ZINC000354549134	380052836	/nfs/dbraw/zinc/05/28/36/380052836.db2.gz	UPFIKNFJOFNEDK-UHFFFAOYSA-N	-2	3	349.328	-0.499	20	0		EBADHL
Cc1nn2cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])cnc2c1Cl	ZINC000548202487	380188134	/nfs/dbraw/zinc/18/81/34/380188134.db2.gz	CCVSYTLPBAHYIP-SSDOTTSWSA-N	-2	3	334.741	-0.585	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-]	ZINC000548525561	380211966	/nfs/dbraw/zinc/21/19/66/380211966.db2.gz	XFNDEKUXEZROOP-UHFFFAOYSA-N	-2	3	348.333	-0.892	20	0		EBADHL
COCC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-]	ZINC000548536109	380212716	/nfs/dbraw/zinc/21/27/16/380212716.db2.gz	PSWJHRCYMLQXGQ-LURJTMIESA-N	-2	3	338.363	-0.302	20	0		EBADHL
COCCCO[N-]C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000287972772	380385753	/nfs/dbraw/zinc/38/57/53/380385753.db2.gz	YCILWPNCXMOYFY-UHFFFAOYSA-N	-2	3	336.142	-0.204	20	0		EBADHL
COC(=O)CC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000372314536	380701982	/nfs/dbraw/zinc/70/19/82/380701982.db2.gz	DRVFAYDZYNLUTB-VIFPVBQESA-N	-2	3	345.377	-0.096	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)s1	ZINC000580571414	380795797	/nfs/dbraw/zinc/79/57/97/380795797.db2.gz	IWATYCPDGBIWAI-APPZFPTMSA-N	-2	3	349.390	-0.131	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C1=O	ZINC000417444024	380895846	/nfs/dbraw/zinc/89/58/46/380895846.db2.gz	BRIRGXJMUYMSIV-WCBMZHEXSA-N	-2	3	330.366	-0.602	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)C1=O	ZINC000417449571	380902300	/nfs/dbraw/zinc/90/23/00/380902300.db2.gz	YECQPURZGRXBOJ-NOOOWODRSA-N	-2	3	348.421	-0.207	20	0		EBADHL
C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])cn21	ZINC000581418116	381073432	/nfs/dbraw/zinc/07/34/32/381073432.db2.gz	WLGHGBKOTIMFRV-SFYZADRCSA-N	-3	3	331.350	-0.013	20	0		EBADHL
CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000347392112	381212666	/nfs/dbraw/zinc/21/26/66/381212666.db2.gz	YUPLMPQZAHLMLW-VIFPVBQESA-N	-2	3	332.382	-0.624	20	0		EBADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCn1cnnc1C1CC1	ZINC000571998541	381632568	/nfs/dbraw/zinc/63/25/68/381632568.db2.gz	ZGQZZWFIMWVJPP-UHFFFAOYSA-N	-2	3	326.338	-0.445	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])c1	ZINC000263510029	292001046	/nfs/dbraw/zinc/00/10/46/292001046.db2.gz	XISSUBXPKGPTLK-GFCCVEGCSA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)c1	ZINC000299200950	155149267	/nfs/dbraw/zinc/14/92/67/155149267.db2.gz	DEGQPOIHYVQMLZ-WKEGUHRASA-N	-2	3	335.309	-0.275	20	0		EBADHL
C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000331191950	155348504	/nfs/dbraw/zinc/34/85/04/155348504.db2.gz	KHAVLGLMGALXFC-ZETCQYMHSA-N	-2	3	326.371	-0.144	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-]	ZINC000261637490	154196095	/nfs/dbraw/zinc/19/60/95/154196095.db2.gz	FPMRRVFHCCCTRD-ZCFIWIBFSA-N	-3	3	340.354	-0.051	20	0		EBADHL
CN(CCC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C	ZINC000261684538	154198495	/nfs/dbraw/zinc/19/84/95/154198495.db2.gz	MDZWJAWPOCNXLL-UHFFFAOYSA-N	-2	3	342.333	-0.871	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000262080370	154211919	/nfs/dbraw/zinc/21/19/19/154211919.db2.gz	AVPAVKAXVTYYGF-XVKPBYJWSA-N	-2	3	345.377	-0.062	20	0		EBADHL
O=C([O-])[C@@]1(NC(=O)C[N-]S(=O)(=O)c2cccs2)CCOC1	ZINC000262244390	154219992	/nfs/dbraw/zinc/21/99/92/154219992.db2.gz	WYSJPQSHNKISCB-LLVKDONJSA-N	-2	3	334.375	-0.614	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N(CC(=O)[O-])C(C)C)cn1C	ZINC000262685489	154242197	/nfs/dbraw/zinc/24/21/97/154242197.db2.gz	AICASTCVRAOBGO-UHFFFAOYSA-N	-2	3	346.409	-0.281	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C)CC(=O)[O-]	ZINC000262991214	154251802	/nfs/dbraw/zinc/25/18/02/154251802.db2.gz	OIWCXWOTAKIALA-SVRRBLITSA-N	-2	3	333.366	-0.062	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000263268924	154256556	/nfs/dbraw/zinc/25/65/56/154256556.db2.gz	HXDNCJILNFQMBT-SFYZADRCSA-N	-2	3	333.366	-0.110	20	0		EBADHL
COCCN(CC(=O)[O-])C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1	ZINC000263298231	154257725	/nfs/dbraw/zinc/25/77/25/154257725.db2.gz	YPUKNNQQKXVZEK-MRXNPFEDSA-N	-2	3	349.343	-0.086	20	0		EBADHL
C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000263537660	154259098	/nfs/dbraw/zinc/25/90/98/154259098.db2.gz	AKLIJVYZXHZTIB-UHFFFAOYSA-N	-2	3	336.391	-0.310	20	0		EBADHL
O=C(CC[N-]S(=O)(=O)c1cccs1)NCc1n[nH]c(=O)[n-]1	ZINC000359265847	157308302	/nfs/dbraw/zinc/30/83/02/157308302.db2.gz	DCPHALXQIAQESY-UHFFFAOYSA-N	-2	3	331.379	-0.443	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](CC(C)C)C(=O)[O-])cn1C	ZINC000360818428	157399732	/nfs/dbraw/zinc/39/97/32/157399732.db2.gz	NLWLDCXRVRRTQH-JTQLQIEISA-N	-2	3	346.409	-0.378	20	0		EBADHL
O=C(N=c1nc(-c2cccnc2)[n-]s1)[C@@H]1CCS(=O)(=O)[N-]1	ZINC000653023080	419783675	/nfs/dbraw/zinc/78/36/75/419783675.db2.gz	WYZJGNAZXKKELU-QMMMGPOBSA-N	-2	3	325.375	-0.348	20	0		EBADHL
CN(CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)S(C)(=O)=O	ZINC000645952378	420529515	/nfs/dbraw/zinc/52/95/15/420529515.db2.gz	QIHCZNQMVJWFGL-UHFFFAOYSA-N	-2	3	340.379	-0.462	20	0		EBADHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCOC1	ZINC000656564369	420898981	/nfs/dbraw/zinc/89/89/81/420898981.db2.gz	KWRYRMDSIWIXMI-LBPRGKRZSA-N	-2	3	346.292	-0.218	20	0		EBADHL
Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C2	ZINC000656180915	420882913	/nfs/dbraw/zinc/88/29/13/420882913.db2.gz	PUVTUCXKVZQXDT-ZETCQYMHSA-N	-2	3	326.334	-0.058	20	0		EBADHL
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000663097316	421125742	/nfs/dbraw/zinc/12/57/42/421125742.db2.gz	AXNTYEFJMAZEBW-JKSUJKDBSA-N	-2	3	349.343	-0.153	20	0		EBADHL
CCc1nc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])cn1CC1CC1	ZINC000663285026	421128407	/nfs/dbraw/zinc/12/84/07/421128407.db2.gz	BSZCKVBXULXEHN-SECBINFHSA-N	-2	3	344.393	-0.538	20	0		EBADHL
O=C(Nc1ccncc1[O-])[C@@H]1CC[C@@H](C(=O)Nc2ccncc2[O-])O1	ZINC000427652797	265109614	/nfs/dbraw/zinc/10/96/14/265109614.db2.gz	FVQBAIGWNXLLJW-KBPBESRZSA-N	-2	3	344.327	-0.144	20	0		EBADHL
C[C@@]1(c2cccc(C(=O)NCCc3nc(=O)o[n-]3)c2)NC(=O)[N-]C1=O	ZINC000447635325	265376000	/nfs/dbraw/zinc/37/60/00/265376000.db2.gz	ZIPJSLFPYBPLER-HNNXBMFYSA-N	-2	3	345.315	-0.610	20	0		EBADHL
C[C@@](O)(CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-]	ZINC000262574722	289120944	/nfs/dbraw/zinc/12/09/44/289120944.db2.gz	ZVINOHDXAOKWSI-OAHLLOKOSA-N	-2	3	335.316	-0.968	20	0		EBADHL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000275036789	302783009	/nfs/dbraw/zinc/78/30/09/302783009.db2.gz	UVBZLCAVSIMPDK-LURJTMIESA-N	-3	3	339.757	-0.164	20	0		EBADHL
CC(C)c1nc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)c[nH]1	ZINC000681579544	546307505	/nfs/dbraw/zinc/30/75/05/546307505.db2.gz	BZYIIXWYDNUAAA-VIFPVBQESA-N	-2	3	344.393	-0.256	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)C(=O)[O-]	ZINC000650412867	582548160	/nfs/dbraw/zinc/54/81/60/582548160.db2.gz	LMQODTGWYIPENS-QMMMGPOBSA-N	-2	3	334.350	-0.332	20	0		EBADHL
O=C([N-]S(=O)(=O)N1CCCC1)c1sccc1-c1nnn[n-]1	ZINC000738140883	582695110	/nfs/dbraw/zinc/69/51/10/582695110.db2.gz	YINQDTHKFUTTBU-UHFFFAOYSA-N	-2	3	328.379	-0.001	20	0		EBADHL
O=C([N-]S(=O)(=O)N1CCCC1)c1sccc1-c1nn[n-]n1	ZINC000738140883	582695112	/nfs/dbraw/zinc/69/51/12/582695112.db2.gz	YINQDTHKFUTTBU-UHFFFAOYSA-N	-2	3	328.379	-0.001	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)cn1	ZINC000737609423	583020808	/nfs/dbraw/zinc/02/08/08/583020808.db2.gz	HBEWNNCJODRJFN-UHFFFAOYSA-N	-2	3	339.362	-0.220	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)cn1	ZINC000737609423	583020811	/nfs/dbraw/zinc/02/08/11/583020811.db2.gz	HBEWNNCJODRJFN-UHFFFAOYSA-N	-2	3	339.362	-0.220	20	0		EBADHL
Cn1c([O-])c(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c(=O)n(C)c1=O	ZINC000768127119	583312289	/nfs/dbraw/zinc/31/22/89/583312289.db2.gz	PHHMVWPMXNFSFZ-UHFFFAOYSA-N	-2	3	344.283	-0.825	20	0		EBADHL
COc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc(OC)c1[O-]	ZINC000800550962	583615680	/nfs/dbraw/zinc/61/56/80/583615680.db2.gz	LBJPQYJJRKVSGN-UHFFFAOYSA-N	-2	3	346.361	-0.395	20	0		EBADHL
C[C@H](CC(N)=O)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000820235310	583768908	/nfs/dbraw/zinc/76/89/08/583768908.db2.gz	RRQLUWJKDWPDJY-RXMQYKEDSA-N	-2	3	346.319	-0.313	20	0		EBADHL
C[C@H](CC(N)=O)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000820235310	583768910	/nfs/dbraw/zinc/76/89/10/583768910.db2.gz	RRQLUWJKDWPDJY-RXMQYKEDSA-N	-2	3	346.319	-0.313	20	0		EBADHL
CS(=O)(=O)[N-]c1cccc(C(=O)OCC(=O)NCC(=O)[O-])c1	ZINC000820894121	583782490	/nfs/dbraw/zinc/78/24/90/583782490.db2.gz	BIZJNTHTENPBCG-UHFFFAOYSA-N	-2	3	330.318	-0.584	20	0		EBADHL
Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nnn1C	ZINC000822021058	583807277	/nfs/dbraw/zinc/80/72/77/583807277.db2.gz	UBUBIPYKVRBJRI-UHFFFAOYSA-N	-2	3	348.348	-0.578	20	0		EBADHL
Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nnn1C	ZINC000822021058	583807279	/nfs/dbraw/zinc/80/72/79/583807279.db2.gz	UBUBIPYKVRBJRI-UHFFFAOYSA-N	-2	3	348.348	-0.578	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C[C@H]2CCCCO2)n1	ZINC000822619828	583814634	/nfs/dbraw/zinc/81/46/34/583814634.db2.gz	HIWBHEOINQGEAX-MRVPVSSYSA-N	-2	3	327.370	-0.089	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc3nonc32)n1	ZINC000822622976	583814748	/nfs/dbraw/zinc/81/47/48/583814748.db2.gz	MXPLWXDRRLPVLH-UHFFFAOYSA-N	-2	3	347.320	-0.063	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)cn1	ZINC000822684632	583816268	/nfs/dbraw/zinc/81/62/68/583816268.db2.gz	FNZQBHKXLJYYFF-UHFFFAOYSA-N	-2	3	339.362	-0.220	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)cn1	ZINC000822684632	583816270	/nfs/dbraw/zinc/81/62/70/583816270.db2.gz	FNZQBHKXLJYYFF-UHFFFAOYSA-N	-2	3	339.362	-0.220	20	0		EBADHL
O=C(COc1cccc(-c2nnn[n-]2)c1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823044365	583823419	/nfs/dbraw/zinc/82/34/19/583823419.db2.gz	UKJYUILYUQXFDS-UHFFFAOYSA-N	-2	3	344.335	-0.182	20	0		EBADHL
O=C(COc1cccc(-c2nn[n-]n2)c1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823044365	583823421	/nfs/dbraw/zinc/82/34/21/583823421.db2.gz	UKJYUILYUQXFDS-UHFFFAOYSA-N	-2	3	344.335	-0.182	20	0		EBADHL
CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCC(N)=O	ZINC000824206704	583842319	/nfs/dbraw/zinc/84/23/19/583842319.db2.gz	HDTKOMLQTIPJBX-GFCCVEGCSA-N	-2	3	334.336	-0.197	20	0		EBADHL
CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCC(N)=O	ZINC000824206704	583842321	/nfs/dbraw/zinc/84/23/21/583842321.db2.gz	HDTKOMLQTIPJBX-GFCCVEGCSA-N	-2	3	334.336	-0.197	20	0		EBADHL
C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000824731362	583849608	/nfs/dbraw/zinc/84/96/08/583849608.db2.gz	UZMCPNBZUZXXJW-BJOHPYRUSA-N	-2	3	347.331	-0.006	20	0		EBADHL
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000824731362	583849610	/nfs/dbraw/zinc/84/96/10/583849610.db2.gz	UZMCPNBZUZXXJW-BJOHPYRUSA-N	-2	3	347.331	-0.006	20	0		EBADHL
C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1	ZINC000825236998	583856555	/nfs/dbraw/zinc/85/65/55/583856555.db2.gz	QYURHVWIBCDLCT-RNFRBKRXSA-N	-2	3	325.325	-0.022	20	0		EBADHL
COCCOCCS(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000826161143	583886371	/nfs/dbraw/zinc/88/63/71/583886371.db2.gz	VLZMTLGIYOWPFB-UHFFFAOYSA-N	-3	3	343.365	-0.023	20	0		EBADHL
NC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[nH]n1	ZINC000826392551	583897873	/nfs/dbraw/zinc/89/78/73/583897873.db2.gz	CKEDPOWDGNWFNG-UHFFFAOYSA-N	-2	3	334.321	-0.511	20	0		EBADHL
NC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[nH]n1	ZINC000826392551	583897874	/nfs/dbraw/zinc/89/78/74/583897874.db2.gz	CKEDPOWDGNWFNG-UHFFFAOYSA-N	-2	3	334.321	-0.511	20	0		EBADHL
O=S(=O)([N-]C1(CO)CC1)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000826487123	583905210	/nfs/dbraw/zinc/90/52/10/583905210.db2.gz	DNPZRMMHCAQDDG-UHFFFAOYSA-N	-2	3	331.304	-0.052	20	0		EBADHL
O=S(=O)([N-]C1(CO)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000826487123	583905211	/nfs/dbraw/zinc/90/52/11/583905211.db2.gz	DNPZRMMHCAQDDG-UHFFFAOYSA-N	-2	3	331.304	-0.052	20	0		EBADHL
Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])on1	ZINC000830096821	583963787	/nfs/dbraw/zinc/96/37/87/583963787.db2.gz	LEMHBHCPVUGWBJ-XHNCKOQMSA-N	-2	3	327.293	-0.034	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)OC[C@H](C)NC(=O)[O-])cn1C	ZINC000830775002	583970825	/nfs/dbraw/zinc/97/08/25/583970825.db2.gz	KYIIJUIGODCJFP-QMMMGPOBSA-N	-2	3	348.381	-0.404	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])c(C)o1	ZINC000831034278	583975334	/nfs/dbraw/zinc/97/53/34/583975334.db2.gz	RJDVQHPFGKHIGS-ZETCQYMHSA-N	-2	3	348.333	-0.758	20	0		EBADHL
COC(=O)[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CCOC1	ZINC000831094247	583976497	/nfs/dbraw/zinc/97/64/97/583976497.db2.gz	PAEGTDJLVPMEQO-LBPRGKRZSA-N	-2	3	333.318	-0.103	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]2CC(=O)[O-])cn1C	ZINC000833002584	584002794	/nfs/dbraw/zinc/00/27/94/584002794.db2.gz	CQMBWJOBSFYTQY-JTQLQIEISA-N	-2	3	344.393	-0.527	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cncc(C(=O)[O-])c2)c1	ZINC000833058455	584003956	/nfs/dbraw/zinc/00/39/56/584003956.db2.gz	XEDSRXKLILYAQM-UHFFFAOYSA-N	-2	3	339.333	-0.570	20	0		EBADHL
NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)O1	ZINC000833082635	584004800	/nfs/dbraw/zinc/00/48/00/584004800.db2.gz	PJMNOZSXGHTRLZ-PSASIEDQSA-N	-2	3	346.336	-0.165	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-]CCn2ncnn2)cc(F)c1F	ZINC000833304702	584008655	/nfs/dbraw/zinc/00/86/55/584008655.db2.gz	FJTPRKJDTDWVTI-UHFFFAOYSA-N	-2	3	333.276	-0.372	20	0		EBADHL
O=C([O-])N1CCC[C@@H](OCC(=O)Nc2nnc(SCCO)[n-]2)C1	ZINC000834009397	584024093	/nfs/dbraw/zinc/02/40/93/584024093.db2.gz	GBCLDULNGCHFDI-MRVPVSSYSA-N	-2	3	345.381	-0.013	20	0		EBADHL
O=C([O-])N1CCC[C@@H](OCC(=O)Nc2n[n-]c(SCCO)n2)C1	ZINC000834009397	584024095	/nfs/dbraw/zinc/02/40/95/584024095.db2.gz	GBCLDULNGCHFDI-MRVPVSSYSA-N	-2	3	345.381	-0.013	20	0		EBADHL
O=C([O-])N1CCC[C@@H](OCC(=O)Nc2nc(SCCO)n[n-]2)C1	ZINC000834009397	584024096	/nfs/dbraw/zinc/02/40/96/584024096.db2.gz	GBCLDULNGCHFDI-MRVPVSSYSA-N	-2	3	345.381	-0.013	20	0		EBADHL
O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000834290963	584030947	/nfs/dbraw/zinc/03/09/47/584030947.db2.gz	VAXWDIMLFVDXHH-IUCAKERBSA-N	-2	3	342.377	-0.766	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])c1	ZINC000841783450	584055195	/nfs/dbraw/zinc/05/51/95/584055195.db2.gz	YSLQQWOKLVGQSX-GFCCVEGCSA-N	-2	3	335.309	-0.274	20	0		EBADHL
O=C([N-]n1c(=O)[n-][nH]c1=O)[C@H](C[C@H]1COCCO1)C(F)(F)F	ZINC000854612749	584244722	/nfs/dbraw/zinc/24/47/22/584244722.db2.gz	PWLUTPVASOVFNJ-WDSKDSINSA-N	-2	3	326.231	-0.257	20	0		EBADHL
CCOC(Cn1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)cn1)OCC	ZINC000854613384	584244924	/nfs/dbraw/zinc/24/49/24/584244924.db2.gz	ZCEKITYGEQRHCR-UHFFFAOYSA-N	-2	3	326.313	-0.331	20	0		EBADHL
CC(C)(CO)O[N-]C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000857286410	584276910	/nfs/dbraw/zinc/27/69/10/584276910.db2.gz	ABBVVNDZVFBNGP-UHFFFAOYSA-N	-2	3	336.142	-0.470	20	0		EBADHL
O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(-c2nnn[n-]2)nc1	ZINC000738340539	598859414	/nfs/dbraw/zinc/85/94/14/598859414.db2.gz	XTBDZDVHLGPATE-UHFFFAOYSA-N	-2	3	344.320	-0.500	20	0		EBADHL
O=C([O-])N1CCOC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000740444321	602897970	/nfs/dbraw/zinc/89/79/70/602897970.db2.gz	FBJAEMCSHXFIHB-NSHDSACASA-N	-2	3	332.320	-0.138	20	0		EBADHL
NC(=O)COCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000318574158	605073552	/nfs/dbraw/zinc/07/35/52/605073552.db2.gz	FVTQWJPANMUKHH-UHFFFAOYSA-N	-2	3	338.288	-0.557	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1C	ZINC000942570274	653151810	/nfs/dbraw/zinc/15/18/10/653151810.db2.gz	VVFLVMWDVWNTBW-WCBMZHEXSA-N	-2	3	347.379	-0.045	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H](C)C2)c1[O-]	ZINC000947205180	653334492	/nfs/dbraw/zinc/33/44/92/653334492.db2.gz	NGCUBDHGIAJNCE-PSASIEDQSA-N	-2	3	349.395	-0.372	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CC(N(C)C(=O)c3c(C)nc[n-]c3=O)C2)c1[O-]	ZINC000955065472	720034245	/nfs/dbraw/zinc/03/42/45/720034245.db2.gz	XBZCORPDOMNLNC-UHFFFAOYSA-N	-2	3	346.347	-0.176	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1C	ZINC000967944048	724937831	/nfs/dbraw/zinc/93/78/31/724937831.db2.gz	LPRVXMMGHFJCPI-PSASIEDQSA-N	-2	3	347.379	-0.045	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC000974951176	726085173	/nfs/dbraw/zinc/08/51/73/726085173.db2.gz	HICKIMNKUOHVHW-SECBINFHSA-N	-2	3	347.379	-0.045	20	0		EBADHL
Cn1[n-]c(CN2CCC[C@H](NC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001007182408	726790163	/nfs/dbraw/zinc/79/01/63/726790163.db2.gz	BAVNULJXIFWOLE-JTQLQIEISA-N	-2	3	332.364	-0.397	20	0		EBADHL
C[C@@H](CCNC(=O)c1ccccc1[O-])NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001075664005	742269274	/nfs/dbraw/zinc/26/92/74/742269274.db2.gz	TXBFCNBGGICQSA-QMMMGPOBSA-N	-2	3	347.331	-0.073	20	0		EBADHL
O=C(c1ncccc1[O-])N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001078385817	743619959	/nfs/dbraw/zinc/61/99/59/743619959.db2.gz	QOJLECGESXROMK-SNVBAGLBSA-N	-2	3	348.363	-0.368	20	0		EBADHL
Cc1n[nH]c(C(=O)NC2CN(C(=O)c3c(C)nc[n-]c3=O)C2)c1[O-]	ZINC000990853952	808951218	/nfs/dbraw/zinc/95/12/18/808951218.db2.gz	JNNRCTRTGUWVSC-UHFFFAOYSA-N	-2	3	332.320	-0.518	20	0		EBADHL
O=P([O-])([O-])CCO[C@@H](C[n+]1ccccc1)CS(=O)(=O)[O-]	ZINC001224603235	811767041	/nfs/dbraw/zinc/76/70/41/811767041.db2.gz	WOECJHXXBAKRCN-JTQLQIEISA-O	-2	3	326.287	-0.575	20	0		EBADHL
COc1cnc(=O)[n-]c1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001226820697	811886470	/nfs/dbraw/zinc/88/64/70/811886470.db2.gz	CSDGTRQLZYKNAK-VIFPVBQESA-N	-2	3	349.365	-0.842	20	0		EBADHL
CN(C)c1nc([N-]S(=O)(=O)CS(C)(=O)=O)c(N=O)c(=O)[n-]1	ZINC001260584134	812837634	/nfs/dbraw/zinc/83/76/34/812837634.db2.gz	BXXUEDLHRLNFHG-UHFFFAOYSA-N	-2	3	339.355	-0.610	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)c1ccoc1	ZINC001087254323	816479251	/nfs/dbraw/zinc/47/92/51/816479251.db2.gz	BPZRJOQNAGFSOG-UHFFFAOYSA-N	-2	3	345.319	-0.181	20	0		EBADHL
C[C@@H]1C[C@H]1C(=O)NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1	ZINC001087254573	816481472	/nfs/dbraw/zinc/48/14/72/816481472.db2.gz	LFKHBUDGQUATLF-VXNVDRBHSA-N	-2	3	333.352	-0.432	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)[C@@H]1CC12CC2	ZINC001087260657	816492120	/nfs/dbraw/zinc/49/21/20/816492120.db2.gz	WEEOOLDJCKLJKU-VIFPVBQESA-N	-2	3	345.363	-0.288	20	0		EBADHL
Cn1[n-]c(C(=O)N2Cc3[nH]nc(C(=O)[N-]c4nnco4)c3C2)cc1=O	ZINC001275609789	817258924	/nfs/dbraw/zinc/25/89/24/817258924.db2.gz	CLEKVOOVIMHLRF-UHFFFAOYSA-N	-2	3	344.291	-0.360	20	0		EBADHL
CO[N-]C(=O)CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O	ZINC001304258850	821763422	/nfs/dbraw/zinc/76/34/22/821763422.db2.gz	PJAMTRBFEUUYMZ-UHFFFAOYSA-N	-2	3	345.359	-0.133	20	0		EBADHL
O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]CCN1CCCS1(=O)=O	ZINC001180179125	833052362	/nfs/dbraw/zinc/05/23/62/833052362.db2.gz	DYVZNYMCSGYSRG-UHFFFAOYSA-N	-2	3	336.263	-0.507	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nn3cnnc3s2)o1	ZINC001118998182	827040334	/nfs/dbraw/zinc/04/03/34/827040334.db2.gz	ZAONDCWIQILMBX-UHFFFAOYSA-N	-2	3	328.335	-0.061	20	0		EBADHL
COc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])cc1C(=O)[O-]	ZINC001185324120	833355649	/nfs/dbraw/zinc/35/56/49/833355649.db2.gz	CNLTVPVJVQDKOG-UHFFFAOYSA-N	-3	3	339.262	-0.151	20	0		EBADHL
COc1cc2[n-]cc(C(=O)NN3CC(=O)[N-]C3=O)c(=O)c2c(OC)c1	ZINC001160530245	831859672	/nfs/dbraw/zinc/85/96/72/831859672.db2.gz	MESGBCSYAQKGTO-UHFFFAOYSA-N	-2	3	346.299	-0.258	20	0		EBADHL
O=C([N-]CCNS(=O)(=O)c1ncc[n-]1)C(F)(F)Br	ZINC001190762900	834337245	/nfs/dbraw/zinc/33/72/45/834337245.db2.gz	YUUGZBDFUDPJLQ-UHFFFAOYSA-N	-2	3	347.141	-0.208	20	0		EBADHL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCn1cnnn1	ZINC001594894835	954557865	/nfs/dbraw/zinc/55/78/65/954557865.db2.gz	AFZFHIWQOKQOGU-HTQZYQBOSA-N	-2	3	336.274	-0.731	20	0		EBADHL
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1	ZINC001594960318	955009677	/nfs/dbraw/zinc/00/96/77/955009677.db2.gz	VSCCPPGORYUUND-SECBINFHSA-N	-2	3	341.345	-0.617	20	0		EBADHL
Cn1ncc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c1Br	ZINC001594586753	956005582	/nfs/dbraw/zinc/00/55/82/956005582.db2.gz	PJSSFTUDALSHDN-QMMMGPOBSA-N	-2	3	342.171	-0.704	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)N2CCc3c(=O)[n-]cnc3C2)n[nH]1	ZINC001571164641	961980619	/nfs/dbraw/zinc/98/06/19/961980619.db2.gz	RRFUPZHRFSFIEQ-UHFFFAOYSA-N	-2	3	325.306	-0.650	20	0		EBADHL
CNC(=O)c1n[n-]nc1NC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001574037485	962057289	/nfs/dbraw/zinc/05/72/89/962057289.db2.gz	YPMINLFFMRPWJM-LBPRGKRZSA-N	-2	3	326.313	-0.881	20	0		EBADHL
COC(=O)CC[C@H](NC(=O)CCc1c(C)nc[n-]c1=O)C(=O)[O-]	ZINC001574063510	962224946	/nfs/dbraw/zinc/22/49/46/962224946.db2.gz	RBWXWEIVEFFSDR-JTQLQIEISA-N	-2	3	325.321	-0.054	20	0		EBADHL
NC(=O)C1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCOCC1	ZINC001571224081	962567401	/nfs/dbraw/zinc/56/74/01/962567401.db2.gz	OGEKRQCTOLGNEO-UHFFFAOYSA-N	-2	3	335.363	-0.846	20	0		EBADHL
CNC(=O)c1n[n-]nc1NC(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC001604249282	972778283	/nfs/dbraw/zinc/77/82/83/972778283.db2.gz	IGKSJZUIJYSUPT-UHFFFAOYSA-N	-2	3	340.340	-0.348	20	0		EBADHL
Cn1nnc(C[N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n1	ZINC000398108637	973071239	/nfs/dbraw/zinc/07/12/39/973071239.db2.gz	WJZXAJAYMDTBBD-UHFFFAOYSA-N	-2	3	341.349	-0.458	20	0		EBADHL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-][C@H]1COc2ccccc2[C@@H]1O	ZINC001606388522	973839348	/nfs/dbraw/zinc/83/93/48/973839348.db2.gz	PGAGFMKHPUINST-GVXVVHGQSA-N	-2	3	342.373	-0.136	20	0		EBADHL
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCCn1cc(C(=O)[O-])nn1	ZINC001589719387	987879480	/nfs/dbraw/zinc/87/94/80/987879480.db2.gz	DNIFHCHBWXEILW-SECBINFHSA-N	-2	3	348.381	-0.517	20	0		EBADHL
CCc1cc(=O)[n-]c(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])n1	ZINC001597487247	987992673	/nfs/dbraw/zinc/99/26/73/987992673.db2.gz	JYVJVKXTEKVOMI-UWVGGRQHSA-N	-2	3	349.347	-0.676	20	0		EBADHL
CCn1cnnc1CC[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001597923706	989866670	/nfs/dbraw/zinc/86/66/70/989866670.db2.gz	YEXNKTZQWVFFOW-UHFFFAOYSA-N	-2	3	331.379	-0.026	20	0		EBADHL
CC(C)(C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@]1(O)CCOC1	ZINC001590776717	990580926	/nfs/dbraw/zinc/58/09/26/990580926.db2.gz	ONDIBSQPLLJVGB-LBPRGKRZSA-N	-2	3	333.366	-0.436	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c(C)o1	ZINC001598673438	994798390	/nfs/dbraw/zinc/79/83/90/994798390.db2.gz	NJORHYUPCYAQMN-UHFFFAOYSA-N	-2	3	346.361	-0.452	20	0		EBADHL
COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC001598703820	995260034	/nfs/dbraw/zinc/26/00/34/995260034.db2.gz	JHFAMKWBBJFSNB-MWLCHTKSSA-N	-2	3	330.362	-0.194	20	0		EBADHL
COC(=O)[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C(=O)[O-]	ZINC001598810859	996230387	/nfs/dbraw/zinc/23/03/87/996230387.db2.gz	MEINMICGDAUVHI-GHMZBOCLSA-N	-2	3	337.332	-0.245	20	0		EBADHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC	ZINC001598857284	996648542	/nfs/dbraw/zinc/64/85/42/996648542.db2.gz	DPTCDDNPFMVFNN-MRVPVSSYSA-N	-2	3	339.366	-0.489	20	0		EBADHL
COC(=O)N1CCC([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1	ZINC001598879394	996792387	/nfs/dbraw/zinc/79/23/87/996792387.db2.gz	JLANAZLUAXYUMU-UHFFFAOYSA-N	-2	3	346.365	-0.075	20	0		EBADHL
COC1CCN(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC001599124954	997823999	/nfs/dbraw/zinc/82/39/99/997823999.db2.gz	WQVQEFGWSOEXPE-UHFFFAOYSA-N	-2	3	332.382	-0.503	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])[n-]n1	ZINC001598953374	998195793	/nfs/dbraw/zinc/19/57/93/998195793.db2.gz	BBHAGPVIIAKYID-RXMQYKEDSA-N	-2	3	345.255	-0.120	20	0		EBADHL
C[C@]1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCS(=O)(=O)C1	ZINC000134680880	376033888	/nfs/dbraw/zinc/03/38/88/376033888.db2.gz	GMASMSIMCKLMCR-VIFPVBQESA-N	-2	3	340.404	-0.303	20	0		EBADHL
C[C@@]1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCS(=O)(=O)C1	ZINC000134680907	376034040	/nfs/dbraw/zinc/03/40/40/376034040.db2.gz	GMASMSIMCKLMCR-SECBINFHSA-N	-2	3	340.404	-0.303	20	0		EBADHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@H]1CCCOC1	ZINC000584111491	376177448	/nfs/dbraw/zinc/17/74/48/376177448.db2.gz	GWZDPAHVALFSDZ-ONGXEEELSA-N	-2	3	345.377	-0.176	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-]	ZINC000561852260	376883893	/nfs/dbraw/zinc/88/38/93/376883893.db2.gz	YEVHRAZJPVEYNR-VIFPVBQESA-N	-2	3	335.309	-0.010	20	0		EBADHL
CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](CF)C(=O)[O-]	ZINC000570568372	377256555	/nfs/dbraw/zinc/25/65/55/377256555.db2.gz	VUJQUMFCMYYWDV-ZETCQYMHSA-N	-2	3	340.354	-0.704	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-][C@H](CCC(=O)OC)C(=O)[O-])nc1C	ZINC000318172352	377261802	/nfs/dbraw/zinc/26/18/02/377261802.db2.gz	AWGQUBKFXOFJBD-SECBINFHSA-N	-2	3	333.366	-0.104	20	0		EBADHL
CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c(F)c1	ZINC000314274583	377458059	/nfs/dbraw/zinc/45/80/59/377458059.db2.gz	JFAXITVJNMMDFS-KBUNVGBDSA-N	-2	3	334.325	-0.104	20	0		EBADHL
C[C@]1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCS(=O)(=O)C1	ZINC000563075476	377714226	/nfs/dbraw/zinc/71/42/26/377714226.db2.gz	UKLVSVJHOLKIKO-VIFPVBQESA-N	-2	3	340.404	-0.303	20	0		EBADHL
COCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)OC)co2)n[n-]1	ZINC000594828682	377962979	/nfs/dbraw/zinc/96/29/79/377962979.db2.gz	VFTNVVXBTUPLHD-UHFFFAOYSA-N	-2	3	330.322	-0.191	20	0		EBADHL
C[C@]1(c2ccc(CNC(=O)N3CC(C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000621830125	379363441	/nfs/dbraw/zinc/36/34/41/379363441.db2.gz	ZSTNGWZTXCMNJE-MRXNPFEDSA-N	-2	3	346.343	-0.033	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274912809	379723212	/nfs/dbraw/zinc/72/32/12/379723212.db2.gz	LDCVKPOJVIUBHG-QMMMGPOBSA-N	-3	3	349.292	-0.182	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])nc1Cl	ZINC000274955477	379727817	/nfs/dbraw/zinc/72/78/17/379727817.db2.gz	IKHOUEGTKSYPKE-YFKPBYRVSA-N	-3	3	325.730	-0.473	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])cc1F	ZINC000278252265	379916835	/nfs/dbraw/zinc/91/68/35/379916835.db2.gz	XAHQNXHQULNLCF-SECBINFHSA-N	-3	3	349.292	-0.182	20	0		EBADHL
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-]	ZINC000278235245	379916892	/nfs/dbraw/zinc/91/68/92/379916892.db2.gz	KVQQGHBQMSQGDT-SSDOTTSWSA-N	-2	3	336.753	-0.045	20	0		EBADHL
C[C@]1(c2ccc(C(=O)NCCOCC(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000630263101	380025232	/nfs/dbraw/zinc/02/52/32/380025232.db2.gz	UVSCMEDNHLTIKZ-OAHLLOKOSA-N	-2	3	335.316	-0.428	20	0		EBADHL
Cc1nn2cc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])cnc2c1Cl	ZINC000547868481	380166896	/nfs/dbraw/zinc/16/68/96/380166896.db2.gz	GPHLSNURFIMHPT-QMMMGPOBSA-N	-2	3	348.768	-0.195	20	0		EBADHL
Cn1cc(C[C@@H]([N-]S(=O)(=O)c2cncc(F)c2)C(=O)[O-])cn1	ZINC000547895722	380169766	/nfs/dbraw/zinc/16/97/66/380169766.db2.gz	YGNLPGZCBYGBLJ-LLVKDONJSA-N	-2	3	328.325	-0.072	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-]	ZINC000548210986	380189959	/nfs/dbraw/zinc/18/99/59/380189959.db2.gz	APWGRBRYGMOVNR-MRVPVSSYSA-N	-2	3	335.309	-0.010	20	0		EBADHL
Cc1cnn(C[C@H]([N-]S(=O)(=O)c2cn(C)c(C)n2)C(=O)[O-])c1	ZINC000548536276	380213548	/nfs/dbraw/zinc/21/35/48/380213548.db2.gz	XXAUETRVBHUMMY-JTQLQIEISA-N	-2	3	327.366	-0.335	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])c[nH]1	ZINC000548542452	380215136	/nfs/dbraw/zinc/21/51/36/380215136.db2.gz	NRYDFCRVGDWFGU-SNVBAGLBSA-N	-2	3	327.366	-0.327	20	0		EBADHL
CCc1ncc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)s1	ZINC000573352538	380669507	/nfs/dbraw/zinc/66/95/07/380669507.db2.gz	SRFJGLUVVFGQQG-UHFFFAOYSA-N	-2	3	331.379	-0.026	20	0		EBADHL
CC(C)[C@@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)c2ccn(C)n2)C1=O	ZINC000577221246	380812161	/nfs/dbraw/zinc/81/21/61/380812161.db2.gz	JQECBCWAAFBDKQ-ONGXEEELSA-N	-2	3	344.393	-0.592	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)C[C@@H](C)C(=O)[O-])cn1C	ZINC000579717677	381009584	/nfs/dbraw/zinc/00/95/84/381009584.db2.gz	GMLGFHPBXNFVQS-MRVPVSSYSA-N	-2	3	332.382	-0.814	20	0		EBADHL
O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000344114789	381017574	/nfs/dbraw/zinc/01/75/74/381017574.db2.gz	XZEQRDDIVHDEAG-SNVBAGLBSA-N	-2	3	343.299	-0.594	20	0		EBADHL
CCCC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000347266409	381199424	/nfs/dbraw/zinc/19/94/24/381199424.db2.gz	MJYAXXFHGMGVQO-JTQLQIEISA-N	-2	3	346.409	-0.234	20	0		EBADHL
O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000611956740	381730277	/nfs/dbraw/zinc/73/02/77/381730277.db2.gz	SQSLCJAOHDKKHV-JTQLQIEISA-N	-2	3	343.299	-0.594	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1ccccc1F)NC1(c2nnn[n-]2)CC1	ZINC000572450016	381733833	/nfs/dbraw/zinc/73/38/33/381733833.db2.gz	OAEXQBRKPJGORY-UHFFFAOYSA-N	-2	3	340.340	-0.577	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1ccccc1F)NC1(c2nn[n-]n2)CC1	ZINC000572450016	381733836	/nfs/dbraw/zinc/73/38/36/381733836.db2.gz	OAEXQBRKPJGORY-UHFFFAOYSA-N	-2	3	340.340	-0.577	20	0		EBADHL
COc1nc([N-]C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)n[n-]1	ZINC000450546502	382208361	/nfs/dbraw/zinc/20/83/61/382208361.db2.gz	ILPDPKNRTUBIPT-UHFFFAOYSA-N	-2	3	336.333	-0.322	20	0		EBADHL
COC[C@](C)(NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000262185681	154217364	/nfs/dbraw/zinc/21/73/64/154217364.db2.gz	YBFLLGHVFBUVAY-HOTGVXAUSA-N	-2	3	349.343	-0.039	20	0		EBADHL
COCCN(CC(=O)[O-])C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000262352004	154226675	/nfs/dbraw/zinc/22/66/75/154226675.db2.gz	BOKOCLHAHAPMOZ-INIZCTEOSA-N	-2	3	349.343	-0.086	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000262496286	154233835	/nfs/dbraw/zinc/23/38/35/154233835.db2.gz	HCCWZTDZLKTOHU-HTRCEHHLSA-N	-2	3	333.366	-0.205	20	0		EBADHL
C[C@]1(c2cccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c2)NC(=O)[N-]C1=O	ZINC000262608064	154239497	/nfs/dbraw/zinc/23/94/97/154239497.db2.gz	ATGAWTMNUSJWSK-MEDUHNTESA-N	-2	3	347.327	-0.333	20	0		EBADHL
C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-]	ZINC000263511980	154258918	/nfs/dbraw/zinc/25/89/18/154258918.db2.gz	YCXYMFLEWDDFQR-JTQLQIEISA-N	-2	3	335.725	-0.010	20	0		EBADHL
O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1	ZINC000276616139	154702959	/nfs/dbraw/zinc/70/29/59/154702959.db2.gz	TZIYSJAKVKDHAJ-LLVKDONJSA-N	-2	3	325.350	-0.124	20	0		EBADHL
COc1cc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)nn1C	ZINC000355632026	157016269	/nfs/dbraw/zinc/01/62/69/157016269.db2.gz	FYEHAGXCAAQNOY-UHFFFAOYSA-N	-2	3	332.367	-0.096	20	0		EBADHL
Cc1c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])coc1C(=O)N(C)C	ZINC000650388185	419011975	/nfs/dbraw/zinc/01/19/75/419011975.db2.gz	WFTMLADSUCQJMM-ZETCQYMHSA-N	-3	3	348.333	-0.504	20	0		EBADHL
CC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000647255751	419054570	/nfs/dbraw/zinc/05/45/70/419054570.db2.gz	OGQVONXSTFEOFO-VIFPVBQESA-N	-2	3	332.382	-0.624	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N(CC(=O)[O-])C2CCC2)cn1C	ZINC000655591277	419448450	/nfs/dbraw/zinc/44/84/50/419448450.db2.gz	IRVDIJAWZYNCND-UHFFFAOYSA-N	-2	3	344.393	-0.527	20	0		EBADHL
CN(C)c1nc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc(=O)[n-]1	ZINC000521446464	419728340	/nfs/dbraw/zinc/72/83/40/419728340.db2.gz	BINUYYBSRYCTIM-VIFPVBQESA-N	-2	3	332.368	-0.233	20	0		EBADHL
CS(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC000516071195	419987810	/nfs/dbraw/zinc/98/78/10/419987810.db2.gz	FYIVKMZDFPDHBY-MRVPVSSYSA-N	-2	3	338.363	-0.710	20	0		EBADHL
Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C2	ZINC000656179798	420882636	/nfs/dbraw/zinc/88/26/36/420882636.db2.gz	DLRSLGCDNMWRFX-ZCFIWIBFSA-N	-2	3	343.390	-0.194	20	0		EBADHL
CCN(C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@@H](C)C(=O)[O-]	ZINC000659772701	421031665	/nfs/dbraw/zinc/03/16/65/421031665.db2.gz	QJMGNWABSLYTPC-QMMMGPOBSA-N	-2	3	332.382	-0.672	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@](C)(OC)C(=O)[O-])s1	ZINC000663061554	421124327	/nfs/dbraw/zinc/12/43/27/421124327.db2.gz	BTPJOAMJGPWSJI-NSHDSACASA-N	-2	3	336.391	-0.238	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cccc(-c2nnn[n-]2)c1	ZINC000730521892	582829084	/nfs/dbraw/zinc/82/90/84/582829084.db2.gz	XRSVTXIHPVTXLJ-UHFFFAOYSA-N	-2	3	337.303	-0.110	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1cccc(-c2nn[n-]n2)c1	ZINC000730521892	582829085	/nfs/dbraw/zinc/82/90/85/582829085.db2.gz	XRSVTXIHPVTXLJ-UHFFFAOYSA-N	-2	3	337.303	-0.110	20	0		EBADHL
C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000736540506	582939273	/nfs/dbraw/zinc/93/92/73/582939273.db2.gz	ITYVVCNYKQRENV-CMPLNLGQSA-N	-2	3	349.391	-0.510	20	0		EBADHL
CCC[C@@](C)(NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000736954299	582976926	/nfs/dbraw/zinc/97/69/26/582976926.db2.gz	KSTMZLYQSQWJKP-CYBMUJFWSA-N	-2	3	346.409	-0.234	20	0		EBADHL
O=C(NN1CC(=O)[N-]C1=O)[C@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000743287839	583084543	/nfs/dbraw/zinc/08/45/43/583084543.db2.gz	RCWJJGOXGZSSKZ-SNVBAGLBSA-N	-2	3	332.316	-0.420	20	0		EBADHL
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1F	ZINC000776536811	583405396	/nfs/dbraw/zinc/40/53/96/583405396.db2.gz	BCZGFJCAYLLFEP-LURJTMIESA-N	-2	3	339.272	-0.525	20	0		EBADHL
O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)nc2sccn21	ZINC000776540492	583405819	/nfs/dbraw/zinc/40/58/19/583405819.db2.gz	SBFLMUZWDASRTQ-BYPYZUCNSA-N	-2	3	325.755	-0.227	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)c2ccccc2)c1	ZINC000776599131	583407295	/nfs/dbraw/zinc/40/72/95/583407295.db2.gz	FQTOWOBGUFYCQG-VXGBXAGGSA-N	-2	3	325.346	-0.115	20	0		EBADHL
Cn1[n-]cc2c(=NC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)ccnc1-2	ZINC000806492917	583650797	/nfs/dbraw/zinc/65/07/97/583650797.db2.gz	PYIUTKCMIYAGMD-JTQLQIEISA-N	-2	3	329.320	-0.890	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)[N-]OCCOC)ccc1F	ZINC000807068637	583657696	/nfs/dbraw/zinc/65/76/96/583657696.db2.gz	NCUVCFRXMOCQCX-UHFFFAOYSA-N	-2	3	349.340	-0.634	20	0		EBADHL
CSc1nc(C)c(CCC(=O)Nn2c(=O)[n-][nH]c2=O)c(=O)[n-]1	ZINC000820292174	583770999	/nfs/dbraw/zinc/77/09/99/583770999.db2.gz	QRPDSOQJNXNYSP-UHFFFAOYSA-N	-2	3	326.338	-0.082	20	0		EBADHL
CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000821088694	583784666	/nfs/dbraw/zinc/78/46/66/583784666.db2.gz	SRZNJVJQDVXIDP-UHFFFAOYSA-N	-2	3	327.370	-0.478	20	0		EBADHL
CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000821088694	583784667	/nfs/dbraw/zinc/78/46/67/583784667.db2.gz	SRZNJVJQDVXIDP-UHFFFAOYSA-N	-2	3	327.370	-0.478	20	0		EBADHL
CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000821697458	583802630	/nfs/dbraw/zinc/80/26/30/583802630.db2.gz	BBGSOJBPXGUNMW-ZETCQYMHSA-N	-2	3	326.338	-0.789	20	0		EBADHL
CO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000821697458	583802632	/nfs/dbraw/zinc/80/26/32/583802632.db2.gz	BBGSOJBPXGUNMW-ZETCQYMHSA-N	-2	3	326.338	-0.789	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000822623436	583814711	/nfs/dbraw/zinc/81/47/11/583814711.db2.gz	XCHBYSKHCNYZJF-UHFFFAOYSA-N	-3	3	338.309	-0.573	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)cn1	ZINC000822685219	583816207	/nfs/dbraw/zinc/81/62/07/583816207.db2.gz	VHHVKPBMRNXMKQ-UHFFFAOYSA-N	-2	3	336.337	-0.943	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)cn1	ZINC000822685219	583816209	/nfs/dbraw/zinc/81/62/09/583816209.db2.gz	VHHVKPBMRNXMKQ-UHFFFAOYSA-N	-2	3	336.337	-0.943	20	0		EBADHL
O=C1OCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000823551647	583832887	/nfs/dbraw/zinc/83/28/87/583832887.db2.gz	YNRIDKSIRXFELY-QMMMGPOBSA-N	-2	3	345.287	-0.261	20	0		EBADHL
O=C1OCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000823551647	583832889	/nfs/dbraw/zinc/83/28/89/583832889.db2.gz	YNRIDKSIRXFELY-QMMMGPOBSA-N	-2	3	345.287	-0.261	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)[O-]	ZINC000824635035	583848055	/nfs/dbraw/zinc/84/80/55/583848055.db2.gz	YAUPMHGCAPESHL-BYPYZUCNSA-N	-3	3	333.276	-0.104	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-]	ZINC000824635035	583848056	/nfs/dbraw/zinc/84/80/56/583848056.db2.gz	YAUPMHGCAPESHL-BYPYZUCNSA-N	-3	3	333.276	-0.104	20	0		EBADHL
C[C@]1(c2ccc(C(=O)NC3CN(C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000825766478	583866384	/nfs/dbraw/zinc/86/63/84/583866384.db2.gz	QNVJENVGGDMIMN-OAHLLOKOSA-N	-2	3	332.316	-0.167	20	0		EBADHL
C[C@@]1(c2cccc(C(=O)NC3CN(C(=O)[O-])C3)c2)NC(=O)[N-]C1=O	ZINC000825772335	583866732	/nfs/dbraw/zinc/86/67/32/583866732.db2.gz	HSRZWYCZXAGZJL-HNNXBMFYSA-N	-2	3	332.316	-0.167	20	0		EBADHL
C[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)[C@H]1CNC(=O)[O-]	ZINC000825905406	583870683	/nfs/dbraw/zinc/87/06/83/583870683.db2.gz	LUPOHPKJMJYUBF-UTLUCORTSA-N	-2	3	326.353	-0.131	20	0		EBADHL
C[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)[C@H]1CNC(=O)[O-]	ZINC000825905400	583870758	/nfs/dbraw/zinc/87/07/58/583870758.db2.gz	LUPOHPKJMJYUBF-BBBLOLIVSA-N	-2	3	326.353	-0.131	20	0		EBADHL
NC(=O)c1nccnc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000826393981	583898415	/nfs/dbraw/zinc/89/84/15/583898415.db2.gz	RUAGBNQGQLXLDN-UHFFFAOYSA-N	-2	3	326.276	-0.287	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1	ZINC000826450024	583902811	/nfs/dbraw/zinc/90/28/11/583902811.db2.gz	UBZMLEMFMQTONT-VIFPVBQESA-N	-2	3	337.361	-0.037	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1	ZINC000826450024	583902814	/nfs/dbraw/zinc/90/28/14/583902814.db2.gz	UBZMLEMFMQTONT-VIFPVBQESA-N	-2	3	337.361	-0.037	20	0		EBADHL
O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826449679	583902857	/nfs/dbraw/zinc/90/28/57/583902857.db2.gz	FESWMYKCSXFXKE-QMMMGPOBSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826449679	583902859	/nfs/dbraw/zinc/90/28/59/583902859.db2.gz	FESWMYKCSXFXKE-QMMMGPOBSA-N	-2	3	326.338	-0.567	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N(C)[C@H]1CCN(C(=O)[O-])C1	ZINC000827350511	583919364	/nfs/dbraw/zinc/91/93/64/583919364.db2.gz	UWXDAMSLDWVXMB-QMMMGPOBSA-N	-2	3	346.365	-0.041	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N(C)[C@H]1CCN(C(=O)[O-])C1	ZINC000827350511	583919366	/nfs/dbraw/zinc/91/93/66/583919366.db2.gz	UWXDAMSLDWVXMB-QMMMGPOBSA-N	-2	3	346.365	-0.041	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n1	ZINC000828700129	583945818	/nfs/dbraw/zinc/94/58/18/583945818.db2.gz	PZHPIKYFWAQXDU-QMMMGPOBSA-N	-2	3	341.324	-0.382	20	0		EBADHL
COC(=O)Cc1nnc(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)[n-]1	ZINC000828700129	583945819	/nfs/dbraw/zinc/94/58/19/583945819.db2.gz	PZHPIKYFWAQXDU-QMMMGPOBSA-N	-2	3	341.324	-0.382	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n[n-]1	ZINC000828700129	583945821	/nfs/dbraw/zinc/94/58/21/583945821.db2.gz	PZHPIKYFWAQXDU-QMMMGPOBSA-N	-2	3	341.324	-0.382	20	0		EBADHL
CN(CCC(=O)[O-])S(=O)(=O)[N-]CC(=O)OCc1ccccc1	ZINC000830742437	583970208	/nfs/dbraw/zinc/97/02/08/583970208.db2.gz	BJAGKFOOCAFHFW-UHFFFAOYSA-N	-2	3	330.362	-0.029	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCCN2CCN(C(=O)[O-])CC2)cn1C	ZINC000830775944	583970928	/nfs/dbraw/zinc/97/09/28/583970928.db2.gz	WKAAUBMGVWJXJM-UHFFFAOYSA-N	-2	3	345.425	-0.307	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1F	ZINC000831029534	583974934	/nfs/dbraw/zinc/97/49/34/583974934.db2.gz	VAPHUTBMMWCLAN-CYBMUJFWSA-N	-2	3	346.336	-0.293	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1F	ZINC000831029552	583974993	/nfs/dbraw/zinc/97/49/93/583974993.db2.gz	VRZUMRMBBKQLHW-JTQLQIEISA-N	-2	3	346.336	-0.341	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)NCCC(=O)[O-])c(C)o1	ZINC000831034083	583975279	/nfs/dbraw/zinc/97/52/79/583975279.db2.gz	KLNFWARUKNUQOZ-UHFFFAOYSA-N	-2	3	348.333	-0.756	20	0		EBADHL
Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000832858032	584002403	/nfs/dbraw/zinc/00/24/03/584002403.db2.gz	HLYRKFOJSMOCSU-UHFFFAOYSA-N	-2	3	326.334	-0.224	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)OCc2ccc(C(=O)[O-])o2)c1	ZINC000833057501	584003707	/nfs/dbraw/zinc/00/37/07/584003707.db2.gz	AFZDRFVNDPZORZ-UHFFFAOYSA-N	-2	3	343.317	-0.267	20	0		EBADHL
NC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CCOCC1	ZINC000833083085	584004880	/nfs/dbraw/zinc/00/48/80/584004880.db2.gz	WNMKUQVBURGRCS-UHFFFAOYSA-N	-2	3	334.375	-0.241	20	0		EBADHL
CNC(=O)C1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCCC1	ZINC000833699173	584014109	/nfs/dbraw/zinc/01/41/09/584014109.db2.gz	HJYYBLFNUZBERY-UHFFFAOYSA-N	-2	3	330.366	-0.247	20	0		EBADHL
O=C([O-])NCCc1ccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000834246034	584030023	/nfs/dbraw/zinc/03/00/23/584030023.db2.gz	WUZMIZVFARKHAS-NSHDSACASA-N	-2	3	334.332	-0.289	20	0		EBADHL
O=C([O-])NCc1nc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cs1	ZINC000834248600	584030076	/nfs/dbraw/zinc/03/00/76/584030076.db2.gz	HEVZMZAXLRASPF-ZETCQYMHSA-N	-2	3	339.333	-0.713	20	0		EBADHL
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000844787795	584097026	/nfs/dbraw/zinc/09/70/26/584097026.db2.gz	ZVBVEJZYVQHFCI-YUSALJHKSA-N	-2	3	344.389	-0.431	20	0		EBADHL
NC(=O)CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-]	ZINC000844783344	584097087	/nfs/dbraw/zinc/09/70/87/584097087.db2.gz	BRDRPPCKEICUKO-SSDOTTSWSA-N	-2	3	339.732	-0.129	20	0		EBADHL
COCCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F	ZINC000844893723	584098061	/nfs/dbraw/zinc/09/80/61/584098061.db2.gz	IZRNANFMPUODQA-UHFFFAOYSA-N	-2	3	348.352	-0.127	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000846494275	584126852	/nfs/dbraw/zinc/12/68/52/584126852.db2.gz	GTHQSOZSIRKVMA-HNNXBMFYSA-N	-2	3	334.332	-0.461	20	0		EBADHL
Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)nn1	ZINC000851017334	584190966	/nfs/dbraw/zinc/19/09/66/584190966.db2.gz	QTFCQMXBMHXYAG-UHFFFAOYSA-N	-2	3	335.349	-0.476	20	0		EBADHL
O=C([N-]C/C=C\CO)C(F)(F)C(F)(F)C(=O)[N-]C/C=C\CO	ZINC000855404087	584258064	/nfs/dbraw/zinc/25/80/64/584258064.db2.gz	QHGUQQIIMMSVTR-CCAGOZQPSA-N	-2	3	328.262	-0.414	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1cccs1)[N-]OCCN1CCCC1=O	ZINC000856038199	584266102	/nfs/dbraw/zinc/26/61/02/584266102.db2.gz	WWMOTRVNOWJVQS-UHFFFAOYSA-N	-2	3	347.418	-0.303	20	0		EBADHL
CC(=O)C[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-]	ZINC000863408973	584369935	/nfs/dbraw/zinc/36/99/35/584369935.db2.gz	VWAXZGSTGRQLPU-SSDOTTSWSA-N	-2	3	335.363	-0.188	20	0		EBADHL
Cc1ccc(C(=O)NCCC(=O)OCC(=O)NCC(=O)[O-])c([O-])c1	ZINC000738514990	599789064	/nfs/dbraw/zinc/78/90/64/599789064.db2.gz	QVNGYTRZJDLPNU-UHFFFAOYSA-N	-2	3	338.316	-0.435	20	0		EBADHL
O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCn2ncnn2)c1F	ZINC000379843825	602210538	/nfs/dbraw/zinc/21/05/38/602210538.db2.gz	DCBAEVWZMRIKGH-UHFFFAOYSA-N	-2	3	333.276	-0.372	20	0		EBADHL
Cc1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000057124910	649960214	/nfs/dbraw/zinc/96/02/14/649960214.db2.gz	VCIZBSLTXLLYMO-SNVBAGLBSA-N	-2	3	347.418	-0.325	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2C)c1[O-]	ZINC000941964987	653008726	/nfs/dbraw/zinc/00/87/26/653008726.db2.gz	VHNJGTQUMXCJHO-WCBMZHEXSA-N	-2	3	349.395	-0.514	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)c1[O-]	ZINC000971359571	725360481	/nfs/dbraw/zinc/36/04/81/725360481.db2.gz	GVMBCGHBZQKDAR-SECBINFHSA-N	-2	3	335.368	-0.808	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000974033400	725851231	/nfs/dbraw/zinc/85/12/31/725851231.db2.gz	UAZGMIZZNLSMRU-OCAPTIKFSA-N	-2	3	332.320	-0.390	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC1(C)C	ZINC000974951294	726085314	/nfs/dbraw/zinc/08/53/14/726085314.db2.gz	HICKIMNKUOHVHW-VIFPVBQESA-N	-2	3	347.379	-0.045	20	0		EBADHL
CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001043014129	732711492	/nfs/dbraw/zinc/71/14/92/732711492.db2.gz	RFSOAJAXQZRFNN-UHFFFAOYSA-N	-2	3	345.363	-0.160	20	0		EBADHL
O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnc[n-]c1=O	ZINC001052479420	735626249	/nfs/dbraw/zinc/62/62/49/735626249.db2.gz	ACDCBEKHAIDQMF-SECBINFHSA-N	-2	3	333.352	-0.210	20	0		EBADHL
O=C(NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ncccc1[O-]	ZINC000978068678	804644074	/nfs/dbraw/zinc/64/40/74/804644074.db2.gz	VYEYTWAMNPIDEU-OWUUHHOZSA-N	-2	3	330.348	-0.281	20	0		EBADHL
Cc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc([O-])c1F	ZINC001216078295	810358640	/nfs/dbraw/zinc/35/86/40/810358640.db2.gz	AAOLAHJXOYTEPI-UHFFFAOYSA-N	-2	3	345.312	-0.149	20	0		EBADHL
O=C([O-])C[C@H](C(=O)OCCCCP(=O)([O-])[O-])[C@@H](O)C(=O)[O-]	ZINC001225018698	811787737	/nfs/dbraw/zinc/78/77/37/811787737.db2.gz	FTAYTEYNSCQZKK-POYBYMJQSA-N	-4	3	328.210	-0.976	20	0		EBADHL
COc1cnc(=O)[n-]c1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001226820696	811885895	/nfs/dbraw/zinc/88/58/95/811885895.db2.gz	CSDGTRQLZYKNAK-SECBINFHSA-N	-2	3	349.365	-0.842	20	0		EBADHL
COC(=O)c1ccc([O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228192450	811968045	/nfs/dbraw/zinc/96/80/45/811968045.db2.gz	KPNUCFLKQYOQGI-GZMMTYOYSA-N	-3	3	342.256	-0.379	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-]C(CO)CO)c(F)cc1Cl	ZINC001259221907	812808428	/nfs/dbraw/zinc/80/84/28/812808428.db2.gz	ZECHZQAHQFSEDR-UHFFFAOYSA-N	-2	3	327.717	-0.191	20	0		EBADHL
CCOC(=O)C(NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)=C(C)[O-]	ZINC001260401270	812831586	/nfs/dbraw/zinc/83/15/86/812831586.db2.gz	FVWXJBSYFFBWDZ-LLVKDONJSA-N	-2	3	345.329	-0.111	20	0		EBADHL
CS(=O)(=O)c1cccc(S(=O)(=O)NCCP(=O)([O-])[O-])c1	ZINC001260607665	812844076	/nfs/dbraw/zinc/84/40/76/812844076.db2.gz	MAYNOMWNKUFFLJ-UHFFFAOYSA-N	-2	3	343.319	-0.454	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)c1ccon1	ZINC001087255390	816482242	/nfs/dbraw/zinc/48/22/42/816482242.db2.gz	RBRQEDYWYWGBDB-UHFFFAOYSA-N	-2	3	346.307	-0.786	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)c1cocn1	ZINC001087255898	816484542	/nfs/dbraw/zinc/48/45/42/816484542.db2.gz	QCHGUMKTPAHSGO-UHFFFAOYSA-N	-2	3	346.307	-0.786	20	0		EBADHL
CC1(C)C[C@@H]1C(=O)NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1	ZINC001087256164	816485133	/nfs/dbraw/zinc/48/51/33/816485133.db2.gz	BIDDXLWBSISGIN-SECBINFHSA-N	-2	3	347.379	-0.042	20	0		EBADHL
CO[N-]C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F	ZINC001309914745	821783837	/nfs/dbraw/zinc/78/38/37/821783837.db2.gz	ADRULWBNCBTLLF-UHFFFAOYSA-N	-2	3	334.325	-0.123	20	0		EBADHL
COc1cnc(C(C)(C)NC(=O)CCn2cc[n-]c(=O)c2=O)[n-]c1=O	ZINC001156558392	831481682	/nfs/dbraw/zinc/48/16/82/831481682.db2.gz	CLTIFZVGIZDEGU-UHFFFAOYSA-N	-2	3	349.347	-0.518	20	0		EBADHL
O=C(NCCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnc[n-]c1=O	ZINC001160450138	831852773	/nfs/dbraw/zinc/85/27/73/831852773.db2.gz	SXTFWBXTNARDLE-UHFFFAOYSA-N	-2	3	345.363	-0.042	20	0		EBADHL
C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C(=O)N1S(=O)(=O)[O-]	ZINC001167861883	832379563	/nfs/dbraw/zinc/37/95/63/832379563.db2.gz	WFUTVIXGAQFION-XNCJUZBTSA-N	-2	3	325.310	-0.924	20	0		EBADHL
C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C(=O)N1S(=O)(=O)[O-]	ZINC001167861883	832379569	/nfs/dbraw/zinc/37/95/69/832379569.db2.gz	WFUTVIXGAQFION-XNCJUZBTSA-N	-2	3	325.310	-0.924	20	0		EBADHL
CS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195185754	835195326	/nfs/dbraw/zinc/19/53/26/835195326.db2.gz	ACXIDIJFAGOEKT-UHFFFAOYSA-N	-2	3	343.329	-0.014	20	0		EBADHL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCn1cnnn1	ZINC001594894842	954558270	/nfs/dbraw/zinc/55/82/70/954558270.db2.gz	AFZFHIWQOKQOGU-YUMQZZPRSA-N	-2	3	336.274	-0.731	20	0		EBADHL
COC(=O)CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccc([O-])cc1	ZINC001593839673	955347750	/nfs/dbraw/zinc/34/77/50/955347750.db2.gz	QGCIJFRKWLGYQO-UHFFFAOYSA-N	-2	3	338.316	-0.402	20	0		EBADHL
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccc3c(c1)C(=O)[N-]C3=O)C2	ZINC001549226390	958259586	/nfs/dbraw/zinc/25/95/86/958259586.db2.gz	ZFERVUXCNLIINR-FVMDXXJSSA-N	-2	3	330.296	-0.257	20	0		EBADHL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1	ZINC001573900925	961423966	/nfs/dbraw/zinc/42/39/66/961423966.db2.gz	JLKUKPYQNNTKJV-LBPRGKRZSA-N	-2	3	347.349	-0.583	20	0		EBADHL
COC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC(CO)C1	ZINC001571208029	962422769	/nfs/dbraw/zinc/42/27/69/962422769.db2.gz	IHUACBKSRHTXFQ-UHFFFAOYSA-N	-2	3	333.318	-0.430	20	0		EBADHL
O=C([O-])CN1CC[C@@H](OC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1=O	ZINC001595082069	970294535	/nfs/dbraw/zinc/29/45/35/970294535.db2.gz	NPAOTRXSRDPFAK-SNVBAGLBSA-N	-2	3	332.268	-0.588	20	0		EBADHL
Cc1cc(=O)[n-]c(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)n1	ZINC001605092757	972745846	/nfs/dbraw/zinc/74/58/46/972745846.db2.gz	QWVQROZFJMARAN-UHFFFAOYSA-N	-2	3	343.361	-0.614	20	0		EBADHL
CO[C@H](C(=O)[O-])C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O	ZINC001604433086	973224851	/nfs/dbraw/zinc/22/48/51/973224851.db2.gz	YEWIENWPZJUVNU-JTQLQIEISA-N	-2	3	334.325	-0.087	20	0		EBADHL
C[C@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cnc[n-]c1=O	ZINC001592530592	978399608	/nfs/dbraw/zinc/39/96/08/978399608.db2.gz	JSIJZZUYPALUJL-MRVPVSSYSA-N	-2	3	332.320	-0.287	20	0		EBADHL
C[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])S(C)(=O)=O	ZINC001592721360	979219915	/nfs/dbraw/zinc/21/99/15/979219915.db2.gz	CLMNJWZPRIJSPA-RXMQYKEDSA-N	-2	3	328.393	-0.447	20	0		EBADHL
CC[C@@](COC)([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-]	ZINC001595199798	979944117	/nfs/dbraw/zinc/94/41/17/979944117.db2.gz	NHOPHEKNTBLEAA-ZRNGKTOUSA-N	-2	3	331.416	-0.725	20	0		EBADHL
CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001596514687	984288437	/nfs/dbraw/zinc/28/84/37/984288437.db2.gz	AFYWNDSVMGQETB-GFCCVEGCSA-N	-2	3	335.334	-0.121	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001599900577	984815768	/nfs/dbraw/zinc/81/57/68/984815768.db2.gz	YPQFQRPYWVYSBS-WDSKDSINSA-N	-2	3	338.773	-0.670	20	0		EBADHL
CNS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001598672439	994780985	/nfs/dbraw/zinc/78/09/85/994780985.db2.gz	SDDUXIUHSZYHRK-UHFFFAOYSA-N	-2	3	340.379	-0.496	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(CO)C(=O)[O-])ccc1F	ZINC001598673501	994799884	/nfs/dbraw/zinc/79/98/84/994799884.db2.gz	QSFXCUYRBRNKKU-LBPRGKRZSA-N	-2	3	334.325	-0.701	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(CO)C(=O)[O-])ccc1F	ZINC001598673500	994800448	/nfs/dbraw/zinc/80/04/48/994800448.db2.gz	QSFXCUYRBRNKKU-GFCCVEGCSA-N	-2	3	334.325	-0.701	20	0		EBADHL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCSCC(=O)[O-]	ZINC001598911708	997382272	/nfs/dbraw/zinc/38/22/72/997382272.db2.gz	KCLISRYVSZMDBW-UHFFFAOYSA-N	-2	3	337.379	-0.399	20	0		EBADHL
O=C([O-])c1ccc(F)c(S(=O)(=O)NCCP(=O)([O-])[O-])c1	ZINC001260218180	1130542879	/nfs/dbraw/zinc/54/28/79/1130542879.db2.gz	WTKVLRFXTUBPEG-UHFFFAOYSA-N	-3	3	327.226	-0.020	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@H](c2nn[n-]n2)C1	ZINC001362690961	1131642700	/nfs/dbraw/zinc/64/27/00/1131642700.db2.gz	ZLCZUGUETJYQEA-VIFPVBQESA-N	-2	3	331.336	-0.564	20	0		EBADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1	ZINC000134665914	376032912	/nfs/dbraw/zinc/03/29/12/376032912.db2.gz	PDFFLMICOYVBKK-YFKPBYRVSA-N	-2	3	326.377	-0.693	20	0		EBADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1	ZINC000134665891	376033564	/nfs/dbraw/zinc/03/35/64/376033564.db2.gz	PDFFLMICOYVBKK-RXMQYKEDSA-N	-2	3	326.377	-0.693	20	0		EBADHL
C[C@@](O)(CNC(=O)CC[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000090274839	376244030	/nfs/dbraw/zinc/24/40/30/376244030.db2.gz	RVFKZYXFDAUEGU-LLVKDONJSA-N	-2	3	336.391	-0.632	20	0		EBADHL
Cc1cc(C(=O)N2CCN(C)C[C@H]2CN)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000582065383	377508336	/nfs/dbraw/zinc/50/83/36/377508336.db2.gz	KNKNCPWKCYHPOI-SECBINFHSA-N	-2	3	332.364	-0.541	20	0		EBADHL
Cc1oc(C[N-]S(=O)(=O)CCS(C)(=O)=O)cc1C(=O)[O-]	ZINC000063142600	378631086	/nfs/dbraw/zinc/63/10/86/378631086.db2.gz	BBDUJINCLMTWCL-UHFFFAOYSA-N	-2	3	325.364	-0.250	20	0		EBADHL
C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCc3nc(=O)o[n-]3)cn21	ZINC000563609363	379051471	/nfs/dbraw/zinc/05/14/71/379051471.db2.gz	CZDDXJPZPDSPQI-MRVPVSSYSA-N	-2	3	327.366	-0.022	20	0		EBADHL
COC(=O)c1csc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c1	ZINC000274883382	379720336	/nfs/dbraw/zinc/72/03/36/379720336.db2.gz	DJCPTUJVACDFLB-ZCFIWIBFSA-N	-2	3	336.347	-0.858	20	0		EBADHL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274883415	379720383	/nfs/dbraw/zinc/72/03/83/379720383.db2.gz	DJUNMVKZTLGOAC-YFKPBYRVSA-N	-3	3	325.730	-0.412	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])nc1Cl	ZINC000274941532	379724662	/nfs/dbraw/zinc/72/46/62/379724662.db2.gz	QZLAHISRMDOOPP-ZETCQYMHSA-N	-2	3	333.757	-0.229	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-][C@@H](Cc2cnc[nH]2)C(=O)[O-])nc1Cl	ZINC000274941532	379724672	/nfs/dbraw/zinc/72/46/72/379724672.db2.gz	QZLAHISRMDOOPP-ZETCQYMHSA-N	-2	3	333.757	-0.229	20	0		EBADHL
N#CC1(CS(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)CCCC1	ZINC000547582551	380146897	/nfs/dbraw/zinc/14/68/97/380146897.db2.gz	PLSQUCZOZBTWNF-UHFFFAOYSA-N	-2	3	327.366	-0.134	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1ccccc1F)NCc1n[nH]c(=O)[n-]1	ZINC000354917728	380115388	/nfs/dbraw/zinc/11/53/88/380115388.db2.gz	KRZBAPWRESLLRO-UHFFFAOYSA-N	-2	3	329.313	-0.756	20	0		EBADHL
COC(=O)c1coc(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])c1	ZINC000548200309	380188726	/nfs/dbraw/zinc/18/87/26/380188726.db2.gz	BIALUNRULFAZBV-VIFPVBQESA-N	-2	3	343.317	-0.237	20	0		EBADHL
COC(=O)c1coc(S(=O)(=O)[N-][C@@H](Cc2cnc[nH]2)C(=O)[O-])c1	ZINC000548200309	380188732	/nfs/dbraw/zinc/18/87/32/380188732.db2.gz	BIALUNRULFAZBV-VIFPVBQESA-N	-2	3	343.317	-0.237	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-][C@H](Cc2cnn(C)c2)C(=O)[O-])nc1C	ZINC000548556490	380215207	/nfs/dbraw/zinc/21/52/07/380215207.db2.gz	HMMISLJMTTXNPF-LLVKDONJSA-N	-2	3	341.393	-0.081	20	0		EBADHL
CC(=O)NCCN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H](C)C(=O)[O-]	ZINC000564967800	380390874	/nfs/dbraw/zinc/39/08/74/380390874.db2.gz	PKVVEMJWBWKFAB-MRVPVSSYSA-N	-2	3	347.327	-0.378	20	0		EBADHL
C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000566174586	380450367	/nfs/dbraw/zinc/45/03/67/380450367.db2.gz	RZDKPDHWIZHERD-UHFFFAOYSA-N	-2	3	348.402	-0.168	20	0		EBADHL
O=C([O-])CC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000368408186	380506428	/nfs/dbraw/zinc/50/64/28/380506428.db2.gz	WLLYWIALQNZCLR-QMMMGPOBSA-N	-3	3	331.350	-0.184	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)cn1	ZINC000567605799	380530294	/nfs/dbraw/zinc/53/02/94/380530294.db2.gz	FXBAGPOEMQCSRE-ZKCHVHJHSA-N	-2	3	334.375	-0.373	20	0		EBADHL
COc1cc(F)c(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])cc1OC	ZINC000275137071	380569176	/nfs/dbraw/zinc/56/91/76/380569176.db2.gz	WFFYOGIBRWPCKZ-QMMMGPOBSA-N	-2	3	337.325	-0.043	20	0		EBADHL
O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cn2c(n1)CCCC2	ZINC000366719243	380655788	/nfs/dbraw/zinc/65/57/88/380655788.db2.gz	HENYCRUEXAPGCT-SNVBAGLBSA-N	-2	3	339.377	-0.083	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]CCOCC(=O)[O-])cc1F	ZINC000574753114	380723203	/nfs/dbraw/zinc/72/32/03/380723203.db2.gz	STOODHBLVWYCCO-UHFFFAOYSA-N	-2	3	335.309	-0.008	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@@H]([N-]S(=O)(=O)C[C@H]2CCCO2)C1=O	ZINC000417445581	380891757	/nfs/dbraw/zinc/89/17/57/380891757.db2.gz	HOTZUHFAQKNKIX-IJLUTSLNSA-N	-2	3	348.421	-0.205	20	0		EBADHL
O=C(c1nn(-c2ccccc2)cc1[O-])N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000579747701	381011601	/nfs/dbraw/zinc/01/16/01/381011601.db2.gz	JLCCLAIHHJUDLZ-LLVKDONJSA-N	-2	3	341.327	-0.046	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]C[C@H](Cc2cnn(C)c2)C(=O)[O-])c1	ZINC000582581467	381050811	/nfs/dbraw/zinc/05/08/11/381050811.db2.gz	XRUPAMNWUDRMDA-JTQLQIEISA-N	-2	3	327.366	-0.625	20	0		EBADHL
CCOc1ccncc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000582849120	381082200	/nfs/dbraw/zinc/08/22/00/381082200.db2.gz	SBUAVLPPEHOHDJ-QMMMGPOBSA-N	-3	3	332.334	-0.066	20	0		EBADHL
CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000347392108	381213831	/nfs/dbraw/zinc/21/38/31/381213831.db2.gz	YUPLMPQZAHLMLW-SECBINFHSA-N	-2	3	332.382	-0.624	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])cn1C	ZINC000572218589	381650240	/nfs/dbraw/zinc/65/02/40/381650240.db2.gz	OFYIRDUYOFXUMH-LLVKDONJSA-N	-2	3	341.393	-0.316	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])c(C)o1	ZINC000275007277	292005044	/nfs/dbraw/zinc/00/50/44/292005044.db2.gz	BJJURAKYXLCPOE-ZETCQYMHSA-N	-2	3	348.333	-0.628	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-]	ZINC000261724095	154197895	/nfs/dbraw/zinc/19/78/95/154197895.db2.gz	RLULJVTYMQYZSK-LURJTMIESA-N	-2	3	325.339	-0.019	20	0		EBADHL
C[C@@]1(c2ccc(C(=O)N[C@]3(C(=O)[O-])CCOC3)cc2)NC(=O)[N-]C1=O	ZINC000262167004	154217190	/nfs/dbraw/zinc/21/71/90/154217190.db2.gz	VYDFEBMFSPRJCV-JKSUJKDBSA-N	-2	3	347.327	-0.285	20	0		EBADHL
CCN(CC(=O)[O-])C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000262458337	154231901	/nfs/dbraw/zinc/23/19/01/154231901.db2.gz	RUWOSBMPYFYAGK-QMMMGPOBSA-N	-2	3	333.366	-0.109	20	0		EBADHL
O=C([O-])[C@H]1CN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CCO1	ZINC000263051219	154253514	/nfs/dbraw/zinc/25/35/14/154253514.db2.gz	WYLQVLLWFSQKLD-GFCCVEGCSA-N	-2	3	347.327	-0.608	20	0		EBADHL
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1	ZINC000263146749	154254301	/nfs/dbraw/zinc/25/43/01/154254301.db2.gz	FASCJVSCFQEMRE-VHSXEESVSA-N	-2	3	344.393	-0.732	20	0		EBADHL
CO[C@H](CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000263137969	154254773	/nfs/dbraw/zinc/25/47/73/154254773.db2.gz	UQAMGLNRGGIQGG-BMIGLBTASA-N	-2	3	335.316	-0.429	20	0		EBADHL
Cc1cc(C(=O)NC[C@H]2CN(C)CCN2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000266853068	154355819	/nfs/dbraw/zinc/35/58/19/154355819.db2.gz	REJQKUYZLFLLBG-JTQLQIEISA-N	-2	3	346.391	-0.280	20	0		EBADHL
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cnc3n[nH]nc3c2)s1	ZINC000357107911	157118426	/nfs/dbraw/zinc/11/84/26/157118426.db2.gz	FZYKMZVUUNEYHQ-UHFFFAOYSA-N	-2	3	340.350	-0.172	20	0		EBADHL
COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-]	ZINC000650392349	419012061	/nfs/dbraw/zinc/01/20/61/419012061.db2.gz	AFNOVKNLFICFNJ-QMMMGPOBSA-N	-2	3	334.325	-0.169	20	0		EBADHL
O=C([O-])[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CCO1	ZINC000647727983	419243596	/nfs/dbraw/zinc/24/35/96/419243596.db2.gz	OUQNIECMTFZZPW-JTQLQIEISA-N	-2	3	346.336	-0.584	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N(CC(=O)[O-])CC2CC2)c1	ZINC000653325092	419215669	/nfs/dbraw/zinc/21/56/69/419215669.db2.gz	LOPLBURZKAUVFM-UHFFFAOYSA-N	-2	3	330.366	-0.978	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@H](C)C(=O)[O-])cn1C	ZINC000655562303	419413090	/nfs/dbraw/zinc/41/30/90/419413090.db2.gz	WMRDWEJIYIHPBY-QMMMGPOBSA-N	-2	3	332.382	-0.766	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)o1	ZINC000533113570	419963887	/nfs/dbraw/zinc/96/38/87/419963887.db2.gz	CNRXVWXCJYKJEF-QMMMGPOBSA-N	-2	3	340.365	-0.279	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)o1	ZINC000533113570	419963893	/nfs/dbraw/zinc/96/38/93/419963893.db2.gz	CNRXVWXCJYKJEF-QMMMGPOBSA-N	-2	3	340.365	-0.279	20	0		EBADHL
COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)nn1C	ZINC000547822673	420531907	/nfs/dbraw/zinc/53/19/07/420531907.db2.gz	YRALLKBEPWPCNJ-UHFFFAOYSA-N	-2	3	336.329	0.113	20	0		EBADHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCOC1	ZINC000656564368	420898672	/nfs/dbraw/zinc/89/86/72/420898672.db2.gz	KWRYRMDSIWIXMI-GFCCVEGCSA-N	-2	3	346.292	-0.218	20	0		EBADHL
CCN(C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@H](C)C(=O)[O-]	ZINC000659772688	421031087	/nfs/dbraw/zinc/03/10/87/421031087.db2.gz	QJMGNWABSLYTPC-MRVPVSSYSA-N	-2	3	332.382	-0.672	20	0		EBADHL
CCCc1nc(=NC(=O)C[N-]S(=O)(=O)CCCOC)s[n-]1	ZINC000433192491	265185390	/nfs/dbraw/zinc/18/53/90/265185390.db2.gz	ZFAYCXVYIKOJSA-UHFFFAOYSA-N	-2	3	336.439	-0.193	20	0		EBADHL
C[C@]1(c2ccc(C(=O)NCCc3nc(=O)o[n-]3)cc2)NC(=O)[N-]C1=O	ZINC000447638458	265375077	/nfs/dbraw/zinc/37/50/77/265375077.db2.gz	ZTGJUTGMSHDVHB-OAHLLOKOSA-N	-2	3	345.315	-0.610	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)s1	ZINC000683333305	546347192	/nfs/dbraw/zinc/34/71/92/546347192.db2.gz	BJTPEGBPWIFWGQ-IUCAKERBSA-N	-2	3	348.402	-0.095	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)[N-]OC[C@@H]2CCOC2)cn1C	ZINC000788269623	582646379	/nfs/dbraw/zinc/64/63/79/582646379.db2.gz	BUGQIQGNTLNDAK-SNVBAGLBSA-N	-2	3	332.382	-0.909	20	0		EBADHL
COc1ccc(C(=O)[N-]C(=O)COC(=O)CN2CC(=O)[N-]C2=O)cc1	ZINC000731913582	582842378	/nfs/dbraw/zinc/84/23/78/582842378.db2.gz	XNONENQKNMTTLS-UHFFFAOYSA-N	-2	3	349.299	-0.953	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000733144825	582855969	/nfs/dbraw/zinc/85/59/69/582855969.db2.gz	OJHHXACHXGXKRP-UHFFFAOYSA-N	-2	3	327.304	-0.255	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000733144825	582855970	/nfs/dbraw/zinc/85/59/70/582855970.db2.gz	OJHHXACHXGXKRP-UHFFFAOYSA-N	-2	3	327.304	-0.255	20	0		EBADHL
CC(=O)N1CCN(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000736135211	582920054	/nfs/dbraw/zinc/92/00/54/582920054.db2.gz	XUXOVIYHSMQQQP-UHFFFAOYSA-N	-2	3	345.377	-0.580	20	0		EBADHL
C[C@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000736586504	582944472	/nfs/dbraw/zinc/94/44/72/582944472.db2.gz	NIDUEYUHYQLIGH-SNVBAGLBSA-N	-2	3	331.394	-0.108	20	0		EBADHL
Nc1c(-c2nnn[n-]2)cnn1C(=O)CNC(=O)c1ccc([O-])cc1	ZINC000737778066	583027533	/nfs/dbraw/zinc/02/75/33/583027533.db2.gz	WINOIAMUTMAEPL-UHFFFAOYSA-N	-2	3	328.292	-0.579	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1sccc1-c1nnn[n-]1	ZINC000737983733	583036835	/nfs/dbraw/zinc/03/68/35/583036835.db2.gz	YXEOUUHATNDSRO-UHFFFAOYSA-N	-2	3	343.332	-0.049	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1sccc1-c1nn[n-]n1	ZINC000737983733	583036837	/nfs/dbraw/zinc/03/68/37/583036837.db2.gz	YXEOUUHATNDSRO-UHFFFAOYSA-N	-2	3	343.332	-0.049	20	0		EBADHL
C[C@H](CC(=O)Nc1nnn[n-]1)[N-]S(=O)(=O)c1cccnc1Cl	ZINC000760613894	583230524	/nfs/dbraw/zinc/23/05/24/583230524.db2.gz	VKPMEDWMRBDNNR-ZCFIWIBFSA-N	-2	3	345.772	-0.056	20	0		EBADHL
O=C([O-])c1cn(CC[N-]S(=O)(=O)c2cccc3nonc32)nn1	ZINC000761404057	583240517	/nfs/dbraw/zinc/24/05/17/583240517.db2.gz	ZIDBFPBEZFIURP-UHFFFAOYSA-N	-2	3	338.305	-0.509	20	0		EBADHL
Cn1[n-]c(COC(=O)C[N-]S(=O)(=O)c2ccccc2F)nc1=O	ZINC000765415465	583281683	/nfs/dbraw/zinc/28/16/83/583281683.db2.gz	UCGLMJPNRKGKIW-UHFFFAOYSA-N	-2	3	344.324	-0.731	20	0		EBADHL
Cn1ccnc1-c1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n[n-]1	ZINC000772484590	583360717	/nfs/dbraw/zinc/36/07/17/583360717.db2.gz	QVSSYQKZJKVICK-UHFFFAOYSA-N	-2	3	339.319	-0.167	20	0		EBADHL
Cn1ccnc1-c1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[n-]n1	ZINC000772484590	583360720	/nfs/dbraw/zinc/36/07/20/583360720.db2.gz	QVSSYQKZJKVICK-UHFFFAOYSA-N	-2	3	339.319	-0.167	20	0		EBADHL
COc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])cnc1Cl	ZINC000776442934	583404458	/nfs/dbraw/zinc/40/44/58/583404458.db2.gz	AQWBYQDVWVPULK-ZCFIWIBFSA-N	-3	3	338.725	-0.050	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCOCC(=O)[O-])c1	ZINC000776589761	583406830	/nfs/dbraw/zinc/40/68/30/583406830.db2.gz	ZZXOPMOWUJSDTP-UHFFFAOYSA-N	-2	3	335.309	-0.008	20	0		EBADHL
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC000819908626	583763167	/nfs/dbraw/zinc/76/31/67/583763167.db2.gz	JBFDFNCBRPJPMT-JTQLQIEISA-N	-2	3	348.381	-0.630	20	0		EBADHL
C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NN1CC(=O)[N-]C1=O	ZINC000820530304	583774761	/nfs/dbraw/zinc/77/47/61/583774761.db2.gz	ZYYGGWHPKRXOHO-ZETCQYMHSA-N	-2	3	331.292	-0.783	20	0		EBADHL
O=C([O-])CNC(=O)C[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC000821534152	583792818	/nfs/dbraw/zinc/79/28/18/583792818.db2.gz	GSEAEWQGJUMGSG-QFIPXVFZSA-N	-2	3	341.267	-0.350	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cc1C(N)=O	ZINC000822685068	583816239	/nfs/dbraw/zinc/81/62/39/583816239.db2.gz	RKAMQTFWYGJATI-UHFFFAOYSA-N	-2	3	348.348	-0.500	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1C(N)=O	ZINC000822685068	583816240	/nfs/dbraw/zinc/81/62/40/583816240.db2.gz	RKAMQTFWYGJATI-UHFFFAOYSA-N	-2	3	348.348	-0.500	20	0		EBADHL
NC(=O)C1([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1	ZINC000822858608	583818796	/nfs/dbraw/zinc/81/87/96/583818796.db2.gz	CEPBUFFSYMNFOV-UHFFFAOYSA-N	-2	3	344.303	-0.559	20	0		EBADHL
NC(=O)C1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1	ZINC000822858608	583818797	/nfs/dbraw/zinc/81/87/97/583818797.db2.gz	CEPBUFFSYMNFOV-UHFFFAOYSA-N	-2	3	344.303	-0.559	20	0		EBADHL
O=C(CN1CCCS1(=O)=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000822997816	583822325	/nfs/dbraw/zinc/82/23/25/583822325.db2.gz	VNIVQMMBIHKJFM-UHFFFAOYSA-N	-2	3	338.349	-0.454	20	0		EBADHL
O=C(CNc1ccc(-c2nnn[n-]2)cc1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823009539	583822929	/nfs/dbraw/zinc/82/29/29/583822929.db2.gz	MHTPWOOIBRWQMS-UHFFFAOYSA-N	-2	3	343.351	-0.149	20	0		EBADHL
O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823009539	583822931	/nfs/dbraw/zinc/82/29/31/583822931.db2.gz	MHTPWOOIBRWQMS-UHFFFAOYSA-N	-2	3	343.351	-0.149	20	0		EBADHL
O=C([O-])[C@@H]1COCCN1C(=O)COc1ccc(-c2nnn[n-]2)cc1	ZINC000823387436	583828789	/nfs/dbraw/zinc/82/87/89/583828789.db2.gz	JWKNVMNHUKZHJQ-NSHDSACASA-N	-2	3	333.304	-0.443	20	0		EBADHL
O=C([O-])[C@@H]1COCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000823387436	583828790	/nfs/dbraw/zinc/82/87/90/583828790.db2.gz	JWKNVMNHUKZHJQ-NSHDSACASA-N	-2	3	333.304	-0.443	20	0		EBADHL
C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000824680208	583848995	/nfs/dbraw/zinc/84/89/95/583848995.db2.gz	ZCFGKQNXXRDMGQ-MADCSZMMSA-N	-2	3	346.347	-0.214	20	0		EBADHL
C[C@H](O)c1cn(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])nn1	ZINC000824707577	583849204	/nfs/dbraw/zinc/84/92/04/583849204.db2.gz	SYAWNBZWTZCQNA-ZETCQYMHSA-N	-2	3	330.308	-0.144	20	0		EBADHL
CN1CC(=O)N(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])C1=O	ZINC000826018356	583873664	/nfs/dbraw/zinc/87/36/64/583873664.db2.gz	WSMNNSBETQYSGF-UHFFFAOYSA-N	-2	3	331.292	-0.595	20	0		EBADHL
O=C(CCc1[nH]c(O)nc1O)Nc1cc(-c2nnn[n-]2)ccc1[O-]	ZINC000826405916	583899245	/nfs/dbraw/zinc/89/92/45/583899245.db2.gz	ZIQQRVNPJBLZKE-ZETCQYMHSA-N	-2	3	331.292	-0.501	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826449877	583902692	/nfs/dbraw/zinc/90/26/92/583902692.db2.gz	NFHBSBJDIAEODS-SSDOTTSWSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826449877	583902694	/nfs/dbraw/zinc/90/26/94/583902694.db2.gz	NFHBSBJDIAEODS-SSDOTTSWSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cn2c(n1)CCCC2	ZINC000826492658	583906016	/nfs/dbraw/zinc/90/60/16/583906016.db2.gz	WXICKGAJRFIFPN-UHFFFAOYSA-N	-2	3	335.353	-0.077	20	0		EBADHL
C[C@H](CS(=O)(=O)[N-][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C(=O)[O-]	ZINC000827550653	583923323	/nfs/dbraw/zinc/92/33/23/583923323.db2.gz	BUANKWAWYPLCCY-FXPVBKGRSA-N	-2	3	344.393	-0.446	20	0		EBADHL
C[C@H](CS(=O)(=O)[N-][C@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-]	ZINC000827553300	583923596	/nfs/dbraw/zinc/92/35/96/583923596.db2.gz	MIEZBPVFFPOFLH-ZJUUUORDSA-N	-2	3	344.393	-0.444	20	0		EBADHL
CCn1cnc(S(=O)(=O)[N-]CC(=O)N2CCN(C(=O)[O-])CC2)c1	ZINC000827705484	583926361	/nfs/dbraw/zinc/92/63/61/583926361.db2.gz	AUKAPOLVXCIZAL-UHFFFAOYSA-N	-2	3	345.381	-0.997	20	0		EBADHL
C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)NCC(=O)[O-]	ZINC000827811848	583928245	/nfs/dbraw/zinc/92/82/45/583928245.db2.gz	XEBQQVVZYIKSLK-IONNQARKSA-N	-2	3	338.382	-0.917	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)OC[C@@H](C)NC(=O)[O-])cn1C	ZINC000830775001	583970477	/nfs/dbraw/zinc/97/04/77/583970477.db2.gz	KYIIJUIGODCJFP-MRVPVSSYSA-N	-2	3	348.381	-0.404	20	0		EBADHL
COCCCS(=O)(=O)[N-]CC(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC000831705288	583990379	/nfs/dbraw/zinc/99/03/79/583990379.db2.gz	JPAHQCJXEYSYNE-UHFFFAOYSA-N	-2	3	333.366	-0.084	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]2CC(=O)[O-])c1	ZINC000833057954	584003723	/nfs/dbraw/zinc/00/37/23/584003723.db2.gz	PHZFLGSSSYGTBL-SECBINFHSA-N	-2	3	330.366	-0.836	20	0		EBADHL
NC(=O)[C@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccccc1	ZINC000833077988	584004120	/nfs/dbraw/zinc/00/41/20/584004120.db2.gz	IJIOADTVSBUZQI-GFCCVEGCSA-N	-2	3	338.345	-0.527	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000833523157	584011685	/nfs/dbraw/zinc/01/16/85/584011685.db2.gz	KMKPVCLYIOMIMG-HLTSFMKQSA-N	-2	3	348.402	-0.539	20	0		EBADHL
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000834161587	584027492	/nfs/dbraw/zinc/02/74/92/584027492.db2.gz	UJENZAFSTIOREQ-POUFUNEPSA-N	-2	3	338.364	-0.084	20	0		EBADHL
O=C([O-])NCc1nc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cs1	ZINC000834248599	584030130	/nfs/dbraw/zinc/03/01/30/584030130.db2.gz	HEVZMZAXLRASPF-SSDOTTSWSA-N	-2	3	339.333	-0.713	20	0		EBADHL
CC(=O)c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1[O-]	ZINC000834325188	584031721	/nfs/dbraw/zinc/03/17/21/584031721.db2.gz	ZGDOQIBHMCFNEC-UHFFFAOYSA-N	-2	3	328.346	-0.210	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000846497542	584127123	/nfs/dbraw/zinc/12/71/23/584127123.db2.gz	PUOLKNYPKSQTDO-UHFFFAOYSA-N	-2	3	346.343	-0.558	20	0		EBADHL
Cc1cc(F)c(S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)cc1C(=O)[O-]	ZINC000846768051	584131013	/nfs/dbraw/zinc/13/10/13/584131013.db2.gz	VWJXAMILANNYKK-CYBMUJFWSA-N	-2	3	346.336	-0.245	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC=C(C(=O)[O-])C2)cn1	ZINC000853068842	584222994	/nfs/dbraw/zinc/22/29/94/584222994.db2.gz	GMUWXZXPBWGTAZ-VIFPVBQESA-N	-2	3	346.386	-0.063	20	0		EBADHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC2CC2)o1	ZINC000740176636	599770397	/nfs/dbraw/zinc/77/03/97/599770397.db2.gz	MAKWHENXUDUKCH-UHFFFAOYSA-N	-2	3	338.363	-0.662	20	0		EBADHL
O=C([O-])[C@H]1C[C@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000739296150	600161123	/nfs/dbraw/zinc/16/11/23/600161123.db2.gz	CSKIJYIQWLTVFB-SFYZADRCSA-N	-2	3	346.299	-0.184	20	0		EBADHL
O=C([O-])N1CCN(CCNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1	ZINC000740438274	602568431	/nfs/dbraw/zinc/56/84/31/602568431.db2.gz	BXMRAAWRWLSHNT-UHFFFAOYSA-N	-2	3	346.343	-0.404	20	0		EBADHL
O=C([O-])N1CCN(CC(=O)Nc2n[n-]c(-c3ccco3)n2)C(=O)C1	ZINC000740371258	603025433	/nfs/dbraw/zinc/02/54/33/603025433.db2.gz	UKJGVEHKFGAFAG-UHFFFAOYSA-N	-2	3	334.292	-0.175	20	0		EBADHL
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1cccs1	ZINC000740376170	603157662	/nfs/dbraw/zinc/15/76/62/603157662.db2.gz	HUFFJSPZXRNFHE-HTQZYQBOSA-N	-2	3	342.329	-0.339	20	0		EBADHL
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)[N-]C(=O)c1cccs1	ZINC000740376173	603157696	/nfs/dbraw/zinc/15/76/96/603157696.db2.gz	HUFFJSPZXRNFHE-YUMQZZPRSA-N	-2	3	342.329	-0.339	20	0		EBADHL
C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1nc(=O)n(C)[n-]1	ZINC000947231423	653342549	/nfs/dbraw/zinc/34/25/49/653342549.db2.gz	LYTOCGZLKIXCBW-QWRGUYRKSA-N	-2	3	346.391	-0.008	20	0		EBADHL
CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnc[n-]c1=O	ZINC000974707692	726055763	/nfs/dbraw/zinc/05/57/63/726055763.db2.gz	DNWMZOUBZHNZIR-VIFPVBQESA-N	-2	3	333.352	-0.354	20	0		EBADHL
CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1	ZINC001027456775	730217132	/nfs/dbraw/zinc/21/71/32/730217132.db2.gz	MRRXAVIXNLLSPX-SECBINFHSA-N	-2	3	333.352	-0.258	20	0		EBADHL
O=C(NCC1(O)CN(C(=O)c2ncccc2[O-])C1)c1ncccc1[O-]	ZINC001042712733	732546194	/nfs/dbraw/zinc/54/61/94/732546194.db2.gz	GNKMZLQBKGKXAH-UHFFFAOYSA-N	-2	3	344.327	-0.495	20	0		EBADHL
CC1(NC(=O)c2cnc[n-]c2=O)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001045473273	733701005	/nfs/dbraw/zinc/70/10/05/733701005.db2.gz	VTZZXCUCARRFKR-UHFFFAOYSA-N	-2	3	333.352	-0.210	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3nc(=O)n(C)[n-]3)CC2)c1[O-]	ZINC001052311248	735587054	/nfs/dbraw/zinc/58/70/54/735587054.db2.gz	HUTILKIWLSKCQI-SNVBAGLBSA-N	-2	3	349.395	-0.370	20	0		EBADHL
C[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CN1Cc1nc(=O)n(C)[n-]1	ZINC001071454537	741139839	/nfs/dbraw/zinc/13/98/39/741139839.db2.gz	NJIFMFOFCGWATK-QWRGUYRKSA-N	-2	3	346.391	-0.008	20	0		EBADHL
Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)c2cnc[n-]c2=O)c1[O-]	ZINC001076168003	742393611	/nfs/dbraw/zinc/39/36/11/742393611.db2.gz	WKZOBOMITOFXEZ-ZETCQYMHSA-N	-2	3	334.336	-0.142	20	0		EBADHL
Cc1nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cc(=O)[n-]1	ZINC001226511394	811867876	/nfs/dbraw/zinc/86/78/76/811867876.db2.gz	YOLDZHPBLZQWOV-JTQLQIEISA-N	-2	3	333.366	-0.542	20	0		EBADHL
CC(C)(C)OC(=O)N1CCN2C[C@@H](Oc3nc(=O)[n-]c(=O)[n-]3)[C@H]1C2	ZINC001227569283	811930100	/nfs/dbraw/zinc/93/01/00/811930100.db2.gz	YBUGAFKWPKBABN-RKDXNWHRSA-N	-2	3	339.352	-0.035	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001080304574	811975928	/nfs/dbraw/zinc/97/59/28/811975928.db2.gz	OLJIQYZDSRXOJL-VXNVDRBHSA-N	-2	3	333.352	-0.435	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1ccccc1-c1nnn[n-]1)[C@@H](O)C(=O)[O-]	ZINC001229950625	812064699	/nfs/dbraw/zinc/06/46/99/812064699.db2.gz	NDPPTJSKMDWAEW-OIBJUYFYSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1ccccc1-c1nn[n-]n1)[C@@H](O)C(=O)[O-]	ZINC001229950625	812064706	/nfs/dbraw/zinc/06/47/06/812064706.db2.gz	NDPPTJSKMDWAEW-OIBJUYFYSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C(Oc1cccc(-c2nnn[n-]2)c1)[C@H](O)COP(=O)([O-])[O-]	ZINC001231121860	812274748	/nfs/dbraw/zinc/27/47/48/812274748.db2.gz	OGEBRDWZMKTQFZ-MRVPVSSYSA-N	-3	3	330.193	-0.758	20	0		EBADHL
O=C(Oc1cccc(-c2nn[n-]n2)c1)[C@H](O)COP(=O)([O-])[O-]	ZINC001231121860	812274756	/nfs/dbraw/zinc/27/47/56/812274756.db2.gz	OGEBRDWZMKTQFZ-MRVPVSSYSA-N	-3	3	330.193	-0.758	20	0		EBADHL
O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccc1[O-]	ZINC001090081920	817014152	/nfs/dbraw/zinc/01/41/52/817014152.db2.gz	DEBGRUPHFUGFSW-ZYHUDNBSSA-N	-2	3	333.348	-0.419	20	0		EBADHL
COC(=O)C(NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)=C(C)[O-]	ZINC001185326416	833356069	/nfs/dbraw/zinc/35/60/69/833356069.db2.gz	OEFZVHNXWXETCR-LLVKDONJSA-N	-2	3	345.329	-0.198	20	0		EBADHL
CO[N-]C(=O)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC001157837272	831596613	/nfs/dbraw/zinc/59/66/13/831596613.db2.gz	XICUPRIGRQYBAJ-UHFFFAOYSA-N	-2	3	345.352	-0.326	20	0		EBADHL
C[C@@H](O)[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195187163	835195462	/nfs/dbraw/zinc/19/54/62/835195462.db2.gz	PGGDGXTUMYXMLQ-MLUIRONXSA-N	-2	3	325.289	-0.317	20	0		EBADHL
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1=O	ZINC001320954719	838868243	/nfs/dbraw/zinc/86/82/43/838868243.db2.gz	YETCBFKROCSROH-GFCCVEGCSA-N	-2	3	344.349	-0.447	20	0		EBADHL
CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1	ZINC001602765344	971490151	/nfs/dbraw/zinc/49/01/51/971490151.db2.gz	XVVDTCASFQODNT-UHFFFAOYSA-N	-2	3	335.316	-0.280	20	0		EBADHL
C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(-c2nnn[n-]2)cc1	ZINC001570927597	948713916	/nfs/dbraw/zinc/71/39/16/948713916.db2.gz	UHKRPYANRBUISK-ZCFIWIBFSA-N	-2	3	328.292	-0.046	20	0		EBADHL
C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(-c2nn[n-]n2)cc1	ZINC001570927597	948713922	/nfs/dbraw/zinc/71/39/22/948713922.db2.gz	UHKRPYANRBUISK-ZCFIWIBFSA-N	-2	3	328.292	-0.046	20	0		EBADHL
O=C([O-])CN1CCC[C@@H](C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)C1=O	ZINC001595081576	951685741	/nfs/dbraw/zinc/68/57/41/951685741.db2.gz	BNITYTVGZJDQBS-NSHDSACASA-N	-2	3	348.359	-0.001	20	0		EBADHL
CN(C)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001593692141	954048660	/nfs/dbraw/zinc/04/86/60/954048660.db2.gz	QOABTNBHMLKLBW-CBAPKCEASA-N	-2	3	325.287	-0.329	20	0		EBADHL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCOCCO	ZINC001594896840	954572873	/nfs/dbraw/zinc/57/28/73/954572873.db2.gz	SXIWKJVBULNSHW-BDAKNGLRSA-N	-2	3	328.287	-0.409	20	0		EBADHL
O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1cc(=O)[n-]c(C2CC2)n1	ZINC001594961414	955018574	/nfs/dbraw/zinc/01/85/74/955018574.db2.gz	KVOUWJNIRWYEMR-SNVBAGLBSA-N	-2	3	327.362	-0.257	20	0		EBADHL
CC[C@@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC001589526261	955119132	/nfs/dbraw/zinc/11/91/32/955119132.db2.gz	PDEOQSJQFWKLFL-LURJTMIESA-N	-2	3	348.153	-0.062	20	0		EBADHL
CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1	ZINC000134711948	958858024	/nfs/dbraw/zinc/85/80/24/958858024.db2.gz	WLJRRTMYLHJLGF-MRVPVSSYSA-N	-2	3	334.423	-0.635	20	0		EBADHL
Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C2	ZINC001594460322	959449573	/nfs/dbraw/zinc/44/95/73/959449573.db2.gz	GQPCJIGZDYKHJA-SECBINFHSA-N	-2	3	334.332	-0.344	20	0		EBADHL
CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000230990695	960176855	/nfs/dbraw/zinc/17/68/55/960176855.db2.gz	XCQFYJLJQQMZME-UHFFFAOYSA-N	-2	3	326.352	-0.853	20	0		EBADHL
CS(C)(=O)=NC(=O)C[N-]S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001571173163	962067183	/nfs/dbraw/zinc/06/71/83/962067183.db2.gz	OLIFEFOOIUHOPA-SFYZADRCSA-N	-2	3	326.396	-0.587	20	0		EBADHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-]	ZINC001571216178	962500582	/nfs/dbraw/zinc/50/05/82/962500582.db2.gz	IGNYTDAKWKHULD-MOFOKWOHSA-N	-2	3	334.281	-0.628	20	0		EBADHL
O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCC(=O)NC2=O)c1F	ZINC000321011943	970736681	/nfs/dbraw/zinc/73/66/81/970736681.db2.gz	UPIQMVLWFKUCPI-LURJTMIESA-N	-2	3	348.283	-0.254	20	0		EBADHL
O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCC(=O)NC2=O)c1F	ZINC000321011948	970737100	/nfs/dbraw/zinc/73/71/00/970737100.db2.gz	UPIQMVLWFKUCPI-ZCFIWIBFSA-N	-2	3	348.283	-0.254	20	0		EBADHL
O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1	ZINC001605814056	972532737	/nfs/dbraw/zinc/53/27/37/972532737.db2.gz	XHFNJLNCTUGWOG-YFKPBYRVSA-N	-2	3	335.242	-0.627	20	0		EBADHL
CO[C@@H](C(=O)[O-])C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O	ZINC001604433090	973224663	/nfs/dbraw/zinc/22/46/63/973224663.db2.gz	YEWIENWPZJUVNU-SNVBAGLBSA-N	-2	3	334.325	-0.087	20	0		EBADHL
CCN(CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1nc(=O)n(C)[n-]1	ZINC001596326976	983761431	/nfs/dbraw/zinc/76/14/31/983761431.db2.gz	OIYHUCFNVKOGQZ-VHSXEESVSA-N	-2	3	325.369	-0.843	20	0		EBADHL
CCOC(=O)c1nnc(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)[n-]1	ZINC001596749693	985091966	/nfs/dbraw/zinc/09/19/66/985091966.db2.gz	ZBYPCLHAWONZDM-ZXFLCMHBSA-N	-2	3	326.309	-0.524	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)[O-])s1	ZINC001589224809	985748203	/nfs/dbraw/zinc/74/82/03/985748203.db2.gz	LGQKKKZYTCNNOU-ZETCQYMHSA-N	-2	3	337.379	-0.396	20	0		EBADHL
CN(CCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])Cc1nc(=O)n(C)[n-]1	ZINC001598478098	992107084	/nfs/dbraw/zinc/10/70/84/992107084.db2.gz	ZQCNSVZGAQALMU-ZJUUUORDSA-N	-2	3	325.369	-0.891	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CN(C)CCN1C	ZINC001593325221	994865161	/nfs/dbraw/zinc/86/51/61/994865161.db2.gz	IFZBFCIGZLFNGB-WPRPVWTQSA-N	-2	3	331.398	-0.980	20	0		EBADHL
COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001598685918	995002568	/nfs/dbraw/zinc/00/25/68/995002568.db2.gz	MZZDTOFZJLXTHV-NSHDSACASA-N	-2	3	337.329	-0.014	20	0		EBADHL
COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCc1c(C)nc(C)[n-]c1=O	ZINC001598695659	995132801	/nfs/dbraw/zinc/13/28/01/995132801.db2.gz	WHKLZEFBAUEOPT-SNVBAGLBSA-N	-2	3	325.321	-0.136	20	0		EBADHL
COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001598699766	995202660	/nfs/dbraw/zinc/20/26/60/995202660.db2.gz	ZOEWIPMZVAVATF-MRVPVSSYSA-N	-2	3	337.350	-0.782	20	0		EBADHL
COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC001598703815	995259537	/nfs/dbraw/zinc/25/95/37/995259537.db2.gz	JHFAMKWBBJFSNB-GXSJLCMTSA-N	-2	3	330.362	-0.194	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2SC(=O)[N-]C2=O)s1	ZINC001260708536	1130546411	/nfs/dbraw/zinc/54/64/11/1130546411.db2.gz	SJYWFGXTWJOVSR-LURJTMIESA-N	-2	3	336.376	-0.311	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]Cc2nc(=O)o[n-]2)c(Br)n1	ZINC001363953358	1132141179	/nfs/dbraw/zinc/14/11/79/1132141179.db2.gz	ZDOOBHHWNQGQAQ-UHFFFAOYSA-N	-2	3	338.143	-0.663	20	0		EBADHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000044243081	376108400	/nfs/dbraw/zinc/10/84/00/376108400.db2.gz	PVZIMBRXBYOKDT-MRVPVSSYSA-N	-2	3	339.167	-0.042	20	0		EBADHL
COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])s1	ZINC000274884466	379719776	/nfs/dbraw/zinc/71/97/76/379719776.db2.gz	DPDDAAYELHJAHX-MRVPVSSYSA-N	-2	3	337.375	-0.423	20	0		EBADHL
Cc1ncc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)s1	ZINC000275055967	379734456	/nfs/dbraw/zinc/73/44/56/379734456.db2.gz	YAEFTLIMTJHLHN-MRVPVSSYSA-N	-2	3	333.391	-0.337	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-][C@@H](Cc2cnn(C)c2)C(=O)[O-])cn1C	ZINC000275210107	379742144	/nfs/dbraw/zinc/74/21/44/379742144.db2.gz	HNGSNMLXVWXJAJ-JTQLQIEISA-N	-2	3	327.366	-0.564	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](Cc1cnn(C)c1)C(=O)[O-]	ZINC000275373709	379752669	/nfs/dbraw/zinc/75/26/69/379752669.db2.gz	YZJTZHHCJASIBV-JTQLQIEISA-N	-2	3	328.350	-0.001	20	0		EBADHL
Cc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000275455593	379758287	/nfs/dbraw/zinc/75/82/87/379758287.db2.gz	OSDVNVNJAMBCKG-SNVBAGLBSA-N	-2	3	347.375	-0.117	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)cc1F	ZINC000277945557	379909165	/nfs/dbraw/zinc/90/91/65/379909165.db2.gz	GWWOXQTYPRDBLA-LDWIPMOCSA-N	-2	3	335.309	-0.275	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])cc1F	ZINC000278144176	379915512	/nfs/dbraw/zinc/91/55/12/379915512.db2.gz	NSEBYZBYSWYPQU-JTQLQIEISA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)n1	ZINC000277124641	379875970	/nfs/dbraw/zinc/87/59/70/379875970.db2.gz	NZDMBKYERWKOFV-UHFFFAOYSA-N	-2	3	337.258	-0.084	20	0		EBADHL
COC(=O)Cc1nnc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[n-]1	ZINC000277124641	379875976	/nfs/dbraw/zinc/87/59/76/379875976.db2.gz	NZDMBKYERWKOFV-UHFFFAOYSA-N	-2	3	337.258	-0.084	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)n[n-]1	ZINC000277124641	379875983	/nfs/dbraw/zinc/87/59/83/379875983.db2.gz	NZDMBKYERWKOFV-UHFFFAOYSA-N	-2	3	337.258	-0.084	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])cc1F	ZINC000277861945	379906001	/nfs/dbraw/zinc/90/60/01/379906001.db2.gz	AJDLLDUZHONDSM-UHFFFAOYSA-N	-2	3	348.308	-0.909	20	0		EBADHL
O=C([O-])[C@H]1CC(=O)N(CC[N-]S(=O)(=O)c2cncc(F)c2)C1	ZINC000547574785	380147170	/nfs/dbraw/zinc/14/71/70/380147170.db2.gz	ARQTVVHGWFFPLP-QMMMGPOBSA-N	-2	3	331.325	-0.568	20	0		EBADHL
CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c1	ZINC000547876283	380167000	/nfs/dbraw/zinc/16/70/00/380167000.db2.gz	LKGVBQSEOLXJRW-SNVBAGLBSA-N	-2	3	335.309	-0.274	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-]	ZINC000547903969	380169839	/nfs/dbraw/zinc/16/98/39/380169839.db2.gz	AGGVUHWEMUAOIU-MRVPVSSYSA-N	-2	3	349.365	-0.567	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-]	ZINC000547903969	380169846	/nfs/dbraw/zinc/16/98/46/380169846.db2.gz	AGGVUHWEMUAOIU-MRVPVSSYSA-N	-2	3	349.365	-0.567	20	0		EBADHL
CCn1cnc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)c1	ZINC000547895248	380170014	/nfs/dbraw/zinc/17/00/14/380170014.db2.gz	QVZAQYOESBPYDW-SECBINFHSA-N	-2	3	330.366	-0.886	20	0		EBADHL
O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2	ZINC000548543032	380215423	/nfs/dbraw/zinc/21/54/23/380215423.db2.gz	RGPLVSGBHBHVPJ-VIFPVBQESA-N	-2	3	348.764	-0.052	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1C	ZINC000361606310	380326870	/nfs/dbraw/zinc/32/68/70/380326870.db2.gz	GEBDSQYTTWGMAT-SNVBAGLBSA-N	-2	3	344.393	-0.670	20	0		EBADHL
CS(=O)(=O)CCCC[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000566066566	380443259	/nfs/dbraw/zinc/44/32/59/380443259.db2.gz	YRRJVDQESXZPIA-UHFFFAOYSA-N	-2	3	342.420	-0.056	20	0		EBADHL
O=C([O-])c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1	ZINC000566227507	380455736	/nfs/dbraw/zinc/45/57/36/380455736.db2.gz	YDZQRDIBENAJTN-SNVBAGLBSA-N	-2	3	346.299	-0.914	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)cc1F	ZINC000290204694	380462895	/nfs/dbraw/zinc/46/28/95/380462895.db2.gz	UKFUXDDYLMGICR-UHFFFAOYSA-N	-2	3	345.308	-0.190	20	0		EBADHL
Cc1oc(S(=O)(=O)[N-]CCCS(C)(=O)=O)cc1C(=O)[O-]	ZINC000568389286	380597446	/nfs/dbraw/zinc/59/74/46/380597446.db2.gz	BDMRJKMEHBSQDT-UHFFFAOYSA-N	-2	3	325.364	-0.001	20	0		EBADHL
O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[n-]nn2)C1=O	ZINC000573205951	380663789	/nfs/dbraw/zinc/66/37/89/380663789.db2.gz	KONBFDYQFWQXJN-JQWIXIFHSA-N	-2	3	329.316	-0.039	20	0		EBADHL
O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cn[n-]n2)C1=O	ZINC000573205951	380663793	/nfs/dbraw/zinc/66/37/93/380663793.db2.gz	KONBFDYQFWQXJN-JQWIXIFHSA-N	-2	3	329.316	-0.039	20	0		EBADHL
O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cnn[n-]2)C1=O	ZINC000573205951	380663797	/nfs/dbraw/zinc/66/37/97/380663797.db2.gz	KONBFDYQFWQXJN-JQWIXIFHSA-N	-2	3	329.316	-0.039	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000035085413	381150825	/nfs/dbraw/zinc/15/08/25/381150825.db2.gz	KCERIXBSFYCRJU-UHFFFAOYSA-N	-2	3	330.347	-0.830	20	0		EBADHL
O=C(N[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)[n-]cn1)c1cc(=O)[n-]cn1	ZINC000626660743	381594921	/nfs/dbraw/zinc/59/49/21/381594921.db2.gz	MPAJKHALRAGFHM-RKDXNWHRSA-N	-2	3	344.331	-0.241	20	0		EBADHL
CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000262412518	154230369	/nfs/dbraw/zinc/23/03/69/154230369.db2.gz	XYEIMSYLQRWPDM-JTQLQIEISA-N	-2	3	346.409	-0.234	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000262536586	154237010	/nfs/dbraw/zinc/23/70/10/154237010.db2.gz	UKKTZSSNQLBKIF-IUCAKERBSA-N	-2	3	348.402	-0.273	20	0		EBADHL
COC[C@](C)(NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000263006405	154252850	/nfs/dbraw/zinc/25/28/50/154252850.db2.gz	WADATRUCURRPCY-HOTGVXAUSA-N	-2	3	349.343	-0.039	20	0		EBADHL
O=C(CNC(=O)c1cccc([O-])c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000294399615	155060423	/nfs/dbraw/zinc/06/04/23/155060423.db2.gz	VUGBKBHOKHLEOF-NSHDSACASA-N	-2	3	345.359	-0.060	20	0		EBADHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-]	ZINC000296918605	155078983	/nfs/dbraw/zinc/07/89/83/155078983.db2.gz	KOKDVJZTRVHZMW-MHTLYPKNSA-N	-2	3	335.725	-0.012	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c(F)cc1C	ZINC000296921278	155079863	/nfs/dbraw/zinc/07/98/63/155079863.db2.gz	KUOWZANTAVAGMX-VIFPVBQESA-N	-2	3	335.309	-0.355	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000358391209	157240570	/nfs/dbraw/zinc/24/05/70/157240570.db2.gz	OFAHCAHWARSSBR-SSDOTTSWSA-N	-2	3	343.340	-0.367	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1C	ZINC000647262066	419057687	/nfs/dbraw/zinc/05/76/87/419057687.db2.gz	ZDCKQQHMJPUOGV-VHSXEESVSA-N	-2	3	344.393	-0.624	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000274963712	419325515	/nfs/dbraw/zinc/32/55/15/419325515.db2.gz	JNQSJCJDEDWBLA-SSDOTTSWSA-N	-2	3	335.363	-0.265	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000274963712	419325518	/nfs/dbraw/zinc/32/55/18/419325518.db2.gz	JNQSJCJDEDWBLA-SSDOTTSWSA-N	-2	3	335.363	-0.265	20	0		EBADHL
CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000322761761	420522621	/nfs/dbraw/zinc/52/26/21/420522621.db2.gz	ZVJYSSPBVVDMPJ-VIFPVBQESA-N	-3	3	348.308	-0.010	20	0		EBADHL
C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@H](C)C(=O)Nc1ncccc1[O-]	ZINC000646202140	420539142	/nfs/dbraw/zinc/53/91/42/420539142.db2.gz	JAXYIDPQWCPKCY-DTWKUNHWSA-N	-2	3	349.347	-0.582	20	0		EBADHL
CC(C)(C)n1nnc(C[N-]S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000656180697	420881884	/nfs/dbraw/zinc/88/18/84/420881884.db2.gz	MLFKXSQGMBCCLE-SECBINFHSA-N	-2	3	346.413	-0.441	20	0		EBADHL
CC(C)(C)n1nnc(C[N-]S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)n1	ZINC000656180698	420882993	/nfs/dbraw/zinc/88/29/93/420882993.db2.gz	MLFKXSQGMBCCLE-VIFPVBQESA-N	-2	3	346.413	-0.441	20	0		EBADHL
C[C@]1(c2ccc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000659173175	420993527	/nfs/dbraw/zinc/99/35/27/420993527.db2.gz	QNLPAVLODGBZKV-OHUAYANFSA-N	-2	3	347.327	-0.287	20	0		EBADHL
C[C@H](CC(=O)[O-])NC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000427744147	265109668	/nfs/dbraw/zinc/10/96/68/265109668.db2.gz	WXVILUZBWQFYEG-RXMQYKEDSA-N	-2	3	334.126	-0.309	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@@H]2C(=O)[O-])c1	ZINC000262663173	303018264	/nfs/dbraw/zinc/01/82/64/303018264.db2.gz	MIMFYKYXLRZHRB-SECBINFHSA-N	-2	3	330.366	-0.836	20	0		EBADHL
NC(=O)CC[C@@H]([N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275138400	303247811	/nfs/dbraw/zinc/24/78/11/303247811.db2.gz	WJTFFCKDVDRJOR-SSDOTTSWSA-N	-2	3	328.306	-0.780	20	0		EBADHL
CC(=O)Nc1cc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)ccc1[O-]	ZINC000671661554	546033630	/nfs/dbraw/zinc/03/36/30/546033630.db2.gz	ZPARNJVGTLEWBD-UHFFFAOYSA-N	-2	3	339.333	-0.027	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1	ZINC000737757470	582727954	/nfs/dbraw/zinc/72/79/54/582727954.db2.gz	ZARWTMDKDCSKAU-UHFFFAOYSA-N	-2	3	342.160	-0.133	20	0		EBADHL
O=C(c1sccc1-c1nnn[n-]1)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000738289086	583047217	/nfs/dbraw/zinc/04/72/17/583047217.db2.gz	GHGWRRWDFRVCRS-SSDOTTSWSA-N	-2	3	333.337	-0.345	20	0		EBADHL
O=C(c1sccc1-c1nnn[n-]1)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000738289086	583047219	/nfs/dbraw/zinc/04/72/19/583047219.db2.gz	GHGWRRWDFRVCRS-SSDOTTSWSA-N	-2	3	333.337	-0.345	20	0		EBADHL
O=C(c1sccc1-c1nn[n-]n1)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000738289086	583047223	/nfs/dbraw/zinc/04/72/23/583047223.db2.gz	GHGWRRWDFRVCRS-SSDOTTSWSA-N	-2	3	333.337	-0.345	20	0		EBADHL
COCCn1cc(S(=O)(=O)[N-]N=c2nc(OC)cc(C)[n-]2)cn1	ZINC000747792033	583115801	/nfs/dbraw/zinc/11/58/01/583115801.db2.gz	PDSTWPPDOLFVRF-UHFFFAOYSA-N	-2	3	342.381	-0.058	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-]	ZINC000747845992	583116234	/nfs/dbraw/zinc/11/62/34/583116234.db2.gz	RSPRGHZIGSGWHE-LURJTMIESA-N	-3	3	337.331	-0.259	20	0		EBADHL
Cn1[n-]c(COC(=O)CC[N-]S(=O)(=O)c2cccs2)nc1=O	ZINC000765418792	583281784	/nfs/dbraw/zinc/28/17/84/583281784.db2.gz	LYHFEMLMGURGMR-UHFFFAOYSA-N	-2	3	346.390	-0.418	20	0		EBADHL
Cc1ccc(C(=O)NCCC(=O)OCc2nc(=O)n(C)[n-]2)c([O-])c1	ZINC000765464090	583283011	/nfs/dbraw/zinc/28/30/11/583283011.db2.gz	MRXYMLCNIQCRST-UHFFFAOYSA-N	-2	3	334.332	-0.014	20	0		EBADHL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCOCC(=O)[O-]	ZINC000776589711	583406775	/nfs/dbraw/zinc/40/67/75/583406775.db2.gz	ZLUNLXSNXIQAML-UHFFFAOYSA-N	-2	3	335.338	-0.726	20	0		EBADHL
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cccc3nonc32)nn1	ZINC000776627816	583407470	/nfs/dbraw/zinc/40/74/70/583407470.db2.gz	LEXVQOSWLXVEGI-UHFFFAOYSA-N	-2	3	338.305	-0.623	20	0		EBADHL
CC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-]	ZINC000787934118	583525464	/nfs/dbraw/zinc/52/54/64/583525464.db2.gz	LCXWXRDWHSQCPS-SECBINFHSA-N	-2	3	349.386	-0.199	20	0		EBADHL
CC(C)NC(=O)CN(C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000820131395	583767127	/nfs/dbraw/zinc/76/71/27/583767127.db2.gz	CGCANRODIJVCCG-UHFFFAOYSA-N	-2	3	347.379	-0.033	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NN1CC(=O)[N-]C1=O	ZINC000820530303	583774977	/nfs/dbraw/zinc/77/49/77/583774977.db2.gz	ZYYGGWHPKRXOHO-SSDOTTSWSA-N	-2	3	331.292	-0.783	20	0		EBADHL
COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1	ZINC000821689251	583801653	/nfs/dbraw/zinc/80/16/53/583801653.db2.gz	SARCFYLYQMMVLN-UHFFFAOYSA-N	-2	3	346.394	-0.519	20	0		EBADHL
COCCN(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1	ZINC000821689251	583801655	/nfs/dbraw/zinc/80/16/55/583801655.db2.gz	SARCFYLYQMMVLN-UHFFFAOYSA-N	-2	3	346.394	-0.519	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000822645678	583815563	/nfs/dbraw/zinc/81/55/63/583815563.db2.gz	KGSCQJTYCHIZDZ-UHFFFAOYSA-N	-2	3	333.333	-0.281	20	0		EBADHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000822645678	583815566	/nfs/dbraw/zinc/81/55/66/583815566.db2.gz	KGSCQJTYCHIZDZ-UHFFFAOYSA-N	-2	3	333.333	-0.281	20	0		EBADHL
Cn1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c(=O)n(C)c1=O	ZINC000822670049	583816415	/nfs/dbraw/zinc/81/64/15/583816415.db2.gz	ZPPYSTVNVQPXTJ-UHFFFAOYSA-N	-2	3	343.303	-0.778	20	0		EBADHL
O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000823483784	583829845	/nfs/dbraw/zinc/82/98/45/583829845.db2.gz	NDSBUTSTQMWZEV-LURJTMIESA-N	-2	3	333.337	-0.345	20	0		EBADHL
O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000823483784	583829846	/nfs/dbraw/zinc/82/98/46/583829846.db2.gz	NDSBUTSTQMWZEV-LURJTMIESA-N	-2	3	333.337	-0.345	20	0		EBADHL
O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000823483784	583829847	/nfs/dbraw/zinc/82/98/47/583829847.db2.gz	NDSBUTSTQMWZEV-LURJTMIESA-N	-2	3	333.337	-0.345	20	0		EBADHL
O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000823483784	583829848	/nfs/dbraw/zinc/82/98/48/583829848.db2.gz	NDSBUTSTQMWZEV-LURJTMIESA-N	-2	3	333.337	-0.345	20	0		EBADHL
C[C@@]1(c2ccc(C(=O)NC3CN(C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000825766477	583866376	/nfs/dbraw/zinc/86/63/76/583866376.db2.gz	QNVJENVGGDMIMN-HNNXBMFYSA-N	-2	3	332.316	-0.167	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1	ZINC000825804760	583867307	/nfs/dbraw/zinc/86/73/07/583867307.db2.gz	GCOARNKDDFQDSV-UHFFFAOYSA-N	-2	3	336.337	-0.470	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1	ZINC000825804760	583867309	/nfs/dbraw/zinc/86/73/09/583867309.db2.gz	GCOARNKDDFQDSV-UHFFFAOYSA-N	-2	3	336.337	-0.470	20	0		EBADHL
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N	ZINC000826124410	583880531	/nfs/dbraw/zinc/88/05/31/583880531.db2.gz	BQWMNLZWTKBSAM-PHDIDXHHSA-N	-2	3	341.324	-0.297	20	0		EBADHL
COCCOCCS(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1	ZINC000826160652	583886296	/nfs/dbraw/zinc/88/62/96/583886296.db2.gz	ACPVPZQONNJDCI-UHFFFAOYSA-N	-2	3	331.358	-0.995	20	0		EBADHL
Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1C(N)=O	ZINC000826292855	583890522	/nfs/dbraw/zinc/89/05/22/583890522.db2.gz	ORGIKBNNVWOEBF-UHFFFAOYSA-N	-2	3	348.348	-0.202	20	0		EBADHL
Cc1onc(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1-c1nnn[n-]1	ZINC000826344985	583892718	/nfs/dbraw/zinc/89/27/18/583892718.db2.gz	YSSFMILRYHSTGP-QMMMGPOBSA-N	-2	3	344.339	-0.375	20	0		EBADHL
Cc1onc(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1-c1nnn[n-]1	ZINC000826344985	583892719	/nfs/dbraw/zinc/89/27/19/583892719.db2.gz	YSSFMILRYHSTGP-QMMMGPOBSA-N	-2	3	344.339	-0.375	20	0		EBADHL
Cc1onc(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1-c1nn[n-]n1	ZINC000826344985	583892720	/nfs/dbraw/zinc/89/27/20/583892720.db2.gz	YSSFMILRYHSTGP-QMMMGPOBSA-N	-2	3	344.339	-0.375	20	0		EBADHL
Cc1onc(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1-c1nn[n-]n1	ZINC000826344985	583892721	/nfs/dbraw/zinc/89/27/21/583892721.db2.gz	YSSFMILRYHSTGP-QMMMGPOBSA-N	-2	3	344.339	-0.375	20	0		EBADHL
NS(=O)(=O)c1ccc([O-])c(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1	ZINC000826394918	583898732	/nfs/dbraw/zinc/89/87/32/583898732.db2.gz	FBXPONDWQGRGTC-UHFFFAOYSA-N	-2	3	349.332	-0.200	20	0		EBADHL
NS(=O)(=O)c1ccc([O-])c(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1	ZINC000826394918	583898734	/nfs/dbraw/zinc/89/87/34/583898734.db2.gz	FBXPONDWQGRGTC-UHFFFAOYSA-N	-2	3	349.332	-0.200	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000827349315	583919471	/nfs/dbraw/zinc/91/94/71/583919471.db2.gz	ISQHIQORPOBYTL-QMMMGPOBSA-N	-2	3	346.365	-0.041	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000827349315	583919472	/nfs/dbraw/zinc/91/94/72/583919472.db2.gz	ISQHIQORPOBYTL-QMMMGPOBSA-N	-2	3	346.365	-0.041	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])n1	ZINC000828699730	583945657	/nfs/dbraw/zinc/94/56/57/583945657.db2.gz	KCYBDWHRTGEMEN-RCOVLWMOSA-N	-2	3	341.324	-0.038	20	0		EBADHL
COC(=O)Cc1nnc(NC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])[n-]1	ZINC000828699730	583945658	/nfs/dbraw/zinc/94/56/58/583945658.db2.gz	KCYBDWHRTGEMEN-RCOVLWMOSA-N	-2	3	341.324	-0.038	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])n[n-]1	ZINC000828699730	583945659	/nfs/dbraw/zinc/94/56/59/583945659.db2.gz	KCYBDWHRTGEMEN-RCOVLWMOSA-N	-2	3	341.324	-0.038	20	0		EBADHL
CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000830136895	583964279	/nfs/dbraw/zinc/96/42/79/583964279.db2.gz	NAVAULNFRAYGIG-UHFFFAOYSA-N	-2	3	340.379	-0.496	20	0		EBADHL
Cn1cc(C(=O)C(=O)[N-]c2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)cn1	ZINC000830990011	583973690	/nfs/dbraw/zinc/97/36/90/583973690.db2.gz	XPASFDWGUSZUPC-UHFFFAOYSA-N	-2	3	348.323	-0.840	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1F	ZINC000831029535	583974973	/nfs/dbraw/zinc/97/49/73/583974973.db2.gz	VAPHUTBMMWCLAN-ZDUSSCGKSA-N	-2	3	346.336	-0.293	20	0		EBADHL
COC(=O)CNC(=O)COC(=O)c1ccc(NC(=O)[O-])c([O-])c1	ZINC000831180684	583978419	/nfs/dbraw/zinc/97/84/19/583978419.db2.gz	ZRKNXTAYQHYNJQ-UHFFFAOYSA-N	-2	3	326.261	-0.072	20	0		EBADHL
Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000832917672	584002528	/nfs/dbraw/zinc/00/25/28/584002528.db2.gz	VLKHRZDAFIWNHX-LBPRGKRZSA-N	-2	3	346.343	-0.132	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000833523158	584011775	/nfs/dbraw/zinc/01/17/75/584011775.db2.gz	KMKPVCLYIOMIMG-YIZRAAEISA-N	-2	3	348.402	-0.539	20	0		EBADHL
CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC000833656340	584013317	/nfs/dbraw/zinc/01/33/17/584013317.db2.gz	CHHZVFYYIPGTMS-ZETCQYMHSA-N	-2	3	348.406	-0.077	20	0		EBADHL
O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000834151477	584027113	/nfs/dbraw/zinc/02/71/13/584027113.db2.gz	WPZATMPDOMKSDJ-NEPJUHHUSA-N	-2	3	346.343	-0.372	20	0		EBADHL
O=C([O-])N[C@H]1CCc2ncc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2C1	ZINC000834192832	584027870	/nfs/dbraw/zinc/02/78/70/584027870.db2.gz	QVUVXPHWQABQNB-KWQFWETISA-N	-2	3	347.331	-0.257	20	0		EBADHL
O=C([O-])N(CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccccc1	ZINC000834289697	584030699	/nfs/dbraw/zinc/03/06/99/584030699.db2.gz	NSRUIHKHYYHRSC-NSHDSACASA-N	-2	3	332.316	-0.066	20	0		EBADHL
CCS(=O)(=O)[N-]C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000850838612	584188804	/nfs/dbraw/zinc/18/88/04/584188804.db2.gz	ZZIPNYXCTVINBY-CYBMUJFWSA-N	-2	3	325.346	-0.179	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)[N-]N1CCOC1=O	ZINC000862697151	584356068	/nfs/dbraw/zinc/35/60/68/584356068.db2.gz	VHNNGXGBQAYPEQ-UHFFFAOYSA-N	-2	3	335.288	-0.274	20	0		EBADHL
NC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000315735972	599768504	/nfs/dbraw/zinc/76/85/04/599768504.db2.gz	FTAUXCOUMMIBOS-UHFFFAOYSA-N	-2	3	331.350	-0.794	20	0		EBADHL
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)Nc3nnn[n-]3)cc2)[n-]1	ZINC000739877438	600185405	/nfs/dbraw/zinc/18/54/05/600185405.db2.gz	OULYWBVALJLHGZ-UHFFFAOYSA-N	-3	3	329.276	-0.442	20	0		EBADHL
O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)Nc3nn[n-]n3)cc2)[n-]1	ZINC000739877438	600185408	/nfs/dbraw/zinc/18/54/08/600185408.db2.gz	OULYWBVALJLHGZ-UHFFFAOYSA-N	-3	3	329.276	-0.442	20	0		EBADHL
CN(C[C@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1)C(=O)[O-]	ZINC000739638764	603089191	/nfs/dbraw/zinc/08/91/91/603089191.db2.gz	QTGORDODXNXHRK-SSDOTTSWSA-N	-2	3	325.325	-0.068	20	0		EBADHL
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1	ZINC000912558572	650209309	/nfs/dbraw/zinc/20/93/09/650209309.db2.gz	QFNGBTNYVOYMAT-UHFFFAOYSA-N	-2	3	329.290	-0.034	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)c1[O-]	ZINC000994882577	726108964	/nfs/dbraw/zinc/10/89/64/726108964.db2.gz	VZSYBZLHPBFAQQ-BDAKNGLRSA-N	-2	3	335.368	-0.064	20	0		EBADHL
Cc1n[nH]c(C(=O)NCC2CCN(Cc3nc(=O)n(C)[n-]3)CC2)c1[O-]	ZINC001001311121	726602306	/nfs/dbraw/zinc/60/23/06/726602306.db2.gz	CNQZYFJMTUHCBG-UHFFFAOYSA-N	-2	3	349.395	-0.512	20	0		EBADHL
CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1	ZINC001027381041	730211134	/nfs/dbraw/zinc/21/11/34/730211134.db2.gz	QVTVNPIFMAMERR-NSHDSACASA-N	-2	3	346.391	-0.054	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001033346494	731012718	/nfs/dbraw/zinc/01/27/18/731012718.db2.gz	IFQYQIOJJKQAMX-VIFPVBQESA-N	-2	3	333.352	-0.339	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001048884384	734557192	/nfs/dbraw/zinc/55/71/92/734557192.db2.gz	RZPIKDAKZWDAQY-DTORHVGOSA-N	-2	3	331.336	-0.790	20	0		EBADHL
O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1)c1ccccc1[O-]	ZINC001053741295	735986971	/nfs/dbraw/zinc/98/69/71/735986971.db2.gz	FSGJDVCEEUKSQU-JTQLQIEISA-N	-2	3	345.359	-0.011	20	0		EBADHL
Cc1[nH]nc(C(=O)N2C[C@H](CNCc3n[nH]c(=O)[n-]3)C[C@H]2C)c1[O-]	ZINC000980511586	805919640	/nfs/dbraw/zinc/91/96/40/805919640.db2.gz	GUGNJZFJFLVCHM-APPZFPTMSA-N	-2	3	335.368	-0.112	20	0		EBADHL
Cn1[n-]c(CN2CCCN(C(=O)c3ncccc3[O-])CC2)nc1=O	ZINC000981026632	806061596	/nfs/dbraw/zinc/06/15/96/806061596.db2.gz	HAKWELBKQGNXFJ-UHFFFAOYSA-N	-2	3	332.364	-0.443	20	0		EBADHL
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC000979274001	805253660	/nfs/dbraw/zinc/25/36/60/805253660.db2.gz	JZSQMBBUIRVOSE-ONGXEEELSA-N	-2	3	348.363	-0.370	20	0		EBADHL
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC000979273984	805253850	/nfs/dbraw/zinc/25/38/50/805253850.db2.gz	JZSQMBBUIRVOSE-KOLCDFICSA-N	-2	3	348.363	-0.370	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000979644928	805463658	/nfs/dbraw/zinc/46/36/58/805463658.db2.gz	FOMGRQSKDNIKQV-KYZUINATSA-N	-2	3	346.347	-0.142	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001008261825	810121115	/nfs/dbraw/zinc/12/11/15/810121115.db2.gz	CGEBHGHBAWHXSY-SECBINFHSA-N	-2	3	333.352	-0.291	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)OCCCCP(=O)([O-])[O-])[C@H](O)C(=O)[O-]	ZINC001225018699	811787655	/nfs/dbraw/zinc/78/76/55/811787655.db2.gz	FTAYTEYNSCQZKK-SVRRBLITSA-N	-4	3	328.210	-0.976	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1nc2ncnc-2c([S-])[n-]1)[C@@H](O)C(=O)[O-]	ZINC001226785085	811885262	/nfs/dbraw/zinc/88/52/62/811885262.db2.gz	JMWVUJKUNTYTLW-BBIVZNJYSA-N	-4	3	342.289	-0.917	20	0		EBADHL
Cc1nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c(C)c(=O)[n-]1	ZINC001229687172	812048560	/nfs/dbraw/zinc/04/85/60/812048560.db2.gz	YNNCESJFUWOEDY-NSHDSACASA-N	-2	3	347.393	-0.234	20	0		EBADHL
CO[C@@H]1O[C@H](COc2[n-]c(=O)nc3cn[n-]c32)[C@H]2OC(C)(C)O[C@@H]12	ZINC001233934216	812370852	/nfs/dbraw/zinc/37/08/52/812370852.db2.gz	IMUFYJGQXISZOS-UGKPPGOTSA-N	-2	3	338.320	-0.084	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)C1CCC1	ZINC001087254051	816479090	/nfs/dbraw/zinc/47/90/90/816479090.db2.gz	QFFQSMMYYLVFQV-UHFFFAOYSA-N	-2	3	333.352	-0.288	20	0		EBADHL
C[C@@]1(CNC(=O)c2cnc[n-]c2=O)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001108012804	824089614	/nfs/dbraw/zinc/08/96/14/824089614.db2.gz	DYUHWZLRHBLHGI-CQSZACIVSA-N	-2	3	349.351	-0.973	20	0		EBADHL
O=C(NCCCNCc1n[nH]c(=O)[n-]1)c1ccc2oc(=O)nc-2[n-]1	ZINC001171063848	832540415	/nfs/dbraw/zinc/54/04/15/832540415.db2.gz	GDEIXDDCDQFMFM-UHFFFAOYSA-N	-2	3	333.308	-0.338	20	0		EBADHL
COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195250517	835203530	/nfs/dbraw/zinc/20/35/30/835203530.db2.gz	ZXQHSZUWUCEGRH-MRVPVSSYSA-N	-2	3	339.272	-0.525	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC(=O)NC2=O)c(F)cc1F	ZINC001195247772	835204765	/nfs/dbraw/zinc/20/47/65/835204765.db2.gz	WBNFIQXZPVGMTI-QMMMGPOBSA-N	-2	3	348.283	-0.254	20	0		EBADHL
O=P([O-])([O-])CCCCNC(=S)NCCN1CCOCC1	ZINC001200138679	835917072	/nfs/dbraw/zinc/91/70/72/835917072.db2.gz	XBSKBNOQQTXUHO-UHFFFAOYSA-N	-2	3	325.371	-0.259	20	0		EBADHL
O=C(NCCn1cnc(-c2nnn[n-]2)n1)c1cnc(C2CC2)[n-]c1=O	ZINC001570938584	949109428	/nfs/dbraw/zinc/10/94/28/949109428.db2.gz	FRPXGQOYLIFALN-UHFFFAOYSA-N	-2	3	342.323	-0.739	20	0		EBADHL
Cn1nnc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2Cl)n1	ZINC001570940359	949178741	/nfs/dbraw/zinc/17/87/41/949178741.db2.gz	WBQHPFXBEJAOOU-UHFFFAOYSA-N	-2	3	341.744	-0.156	20	0		EBADHL
Cn1nnc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2Cl)n1	ZINC001570940359	949178752	/nfs/dbraw/zinc/17/87/52/949178752.db2.gz	WBQHPFXBEJAOOU-UHFFFAOYSA-N	-2	3	341.744	-0.156	20	0		EBADHL
O=C([O-])C1(C(=O)NCCCc2cc(=O)[nH][n-]2)CCS(=O)(=O)CC1	ZINC001595284950	950001933	/nfs/dbraw/zinc/00/19/33/950001933.db2.gz	JKNZDWAAXYYBLV-UHFFFAOYSA-N	-2	3	345.377	-0.962	20	0		EBADHL
CN(C)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001593692145	954048501	/nfs/dbraw/zinc/04/85/01/954048501.db2.gz	QOABTNBHMLKLBW-VXNVDRBHSA-N	-2	3	325.287	-0.329	20	0		EBADHL
O=C([O-])[C@]12COC[C@H]1CN(C(=O)CNC(=O)c1ccc([O-])cc1)C2	ZINC001605753049	972415863	/nfs/dbraw/zinc/41/58/63/972415863.db2.gz	WPHRDCWGOYRTKV-BDJLRTHQSA-N	-2	3	334.328	-0.318	20	0		EBADHL
COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000318460118	970436559	/nfs/dbraw/zinc/43/65/59/970436559.db2.gz	HUBNTUUEAWLSJQ-LURJTMIESA-N	-2	3	339.272	-0.525	20	0		EBADHL
CCC1(CC)CNC(=O)[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001595375865	980900744	/nfs/dbraw/zinc/90/07/44/980900744.db2.gz	FRVGSYSTUYGLQA-MRVPVSSYSA-N	-2	3	330.366	-0.309	20	0		EBADHL
C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c1	ZINC001588661723	983787653	/nfs/dbraw/zinc/78/76/53/983787653.db2.gz	OXBIMXATOOHBSW-NSHDSACASA-N	-2	3	345.315	-0.009	20	0		EBADHL
CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1(C)C	ZINC001596847978	985566529	/nfs/dbraw/zinc/56/65/29/985566529.db2.gz	WODGPLDLXODHCY-TVQRCGJNSA-N	-2	3	347.393	-0.048	20	0		EBADHL
CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1(C)C	ZINC001596847979	985566671	/nfs/dbraw/zinc/56/66/71/985566671.db2.gz	WODGPLDLXODHCY-ZANVPECISA-N	-2	3	347.393	-0.048	20	0		EBADHL
CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O	ZINC001589800997	988204932	/nfs/dbraw/zinc/20/49/32/988204932.db2.gz	IJGLZBPPSDTVCM-SSDOTTSWSA-N	-2	3	330.366	-0.214	20	0		EBADHL
CS(=O)(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001599762692	992143613	/nfs/dbraw/zinc/14/36/13/992143613.db2.gz	MHVBTLLVBNIGKW-IZLXSQMJSA-N	-2	3	340.404	-0.305	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])cn1	ZINC001599772628	992263605	/nfs/dbraw/zinc/26/36/05/992263605.db2.gz	FQUOBBWAISSOOM-ZETCQYMHSA-N	-2	3	326.327	-0.814	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](CC(=O)[O-])C(=O)OC)c(C)o1	ZINC001598673931	994808129	/nfs/dbraw/zinc/80/81/29/994808129.db2.gz	GPJRCTSAVHGJCV-MRVPVSSYSA-N	-2	3	349.317	-0.331	20	0		EBADHL
COCCNC(=O)C1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1	ZINC001599242461	998069561	/nfs/dbraw/zinc/06/95/61/998069561.db2.gz	QPKOVKYHHVETOZ-UHFFFAOYSA-N	-2	3	349.390	-0.585	20	0		EBADHL
CCCN(CCNC(=O)c1[nH]nc(C)c1[O-])Cc1nc(=O)n(C)[n-]1	ZINC001481134793	1125929625	/nfs/dbraw/zinc/92/96/25/1125929625.db2.gz	WAVRGWLGFOKSPL-UHFFFAOYSA-N	-2	3	337.384	-0.512	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CNCCC2=O)c(F)cc1F	ZINC001238628838	1130533546	/nfs/dbraw/zinc/53/35/46/1130533546.db2.gz	UPQIOVAWAQVDSZ-VIFPVBQESA-N	-2	3	334.300	-0.128	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-]CCOP(=O)([O-])[O-])s1	ZINC001260709002	1130546379	/nfs/dbraw/zinc/54/63/79/1130546379.db2.gz	PFZWTARJPBSJMK-UHFFFAOYSA-N	-3	3	345.295	-0.511	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1	ZINC001363763303	1132079372	/nfs/dbraw/zinc/07/93/72/1132079372.db2.gz	QGYCJDQQSXKVPM-SECBINFHSA-N	-2	3	331.332	-0.038	20	0		EBADHL
C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000263560838	290796736	/nfs/dbraw/zinc/79/67/36/290796736.db2.gz	RJCVPYTWFDAJAD-QMMMGPOBSA-N	-2	3	336.391	-0.312	20	0		EBADHL
O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000372311030	304081540	/nfs/dbraw/zinc/08/15/40/304081540.db2.gz	XKJXFKYXZGZVII-MRVPVSSYSA-N	-3	3	331.350	-0.327	20	0		EBADHL
CS(=O)(=O)CCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000584229548	376220158	/nfs/dbraw/zinc/22/01/58/376220158.db2.gz	AWVWCDBELCJMGZ-UHFFFAOYSA-N	-2	3	342.420	-0.056	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])c(F)c1	ZINC000589063157	377397466	/nfs/dbraw/zinc/39/74/66/377397466.db2.gz	SWUXXIHJXXBTAS-VIFPVBQESA-N	-2	3	335.309	-0.010	20	0		EBADHL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]Cc1nocc1C(=O)[O-]	ZINC000594572310	377943583	/nfs/dbraw/zinc/94/35/83/377943583.db2.gz	YQLBMYYDBOXFEO-SNVBAGLBSA-N	-2	3	347.349	-0.265	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3nnn[n-]3)CCCC2)co1	ZINC000339219744	378866770	/nfs/dbraw/zinc/86/67/70/378866770.db2.gz	RJLAEEJLMDBBKK-UHFFFAOYSA-N	-2	3	340.365	-0.100	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)co1	ZINC000339219744	378866776	/nfs/dbraw/zinc/86/67/76/378866776.db2.gz	RJLAEEJLMDBBKK-UHFFFAOYSA-N	-2	3	340.365	-0.100	20	0		EBADHL
Cc1cc(C(=O)NCCN2CC[C@H](O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000629913664	379214547	/nfs/dbraw/zinc/21/45/47/379214547.db2.gz	NAKMWQFKTKFYLB-VIFPVBQESA-N	-2	3	333.348	-0.459	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-]	ZINC000268139875	379278684	/nfs/dbraw/zinc/27/86/84/379278684.db2.gz	QOFUKZXLJLUUCX-UHFFFAOYSA-N	-2	3	348.308	-0.909	20	0		EBADHL
C[C@@H](CO[N-]C(=O)CN1CC(=O)[N-]C1=O)NC(=O)OC(C)(C)C	ZINC000270913773	379488489	/nfs/dbraw/zinc/48/84/89/379488489.db2.gz	BQQGDGAEBXRJLD-QMMMGPOBSA-N	-2	3	330.341	-0.501	20	0		EBADHL
C[C@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C(=O)[O-]	ZINC000274908230	379722115	/nfs/dbraw/zinc/72/21/15/379722115.db2.gz	JTPRTWNZAKNFGV-ZCFIWIBFSA-N	-2	3	342.333	-0.967	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CCO)C(=O)[O-]	ZINC000274911748	379722790	/nfs/dbraw/zinc/72/27/90/379722790.db2.gz	KTCQPILUWZBYKF-MRVPVSSYSA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])s1	ZINC000274945525	379724776	/nfs/dbraw/zinc/72/47/76/379724776.db2.gz	RSEUVNHCYPXGQA-RXMQYKEDSA-N	-2	3	336.347	-0.858	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])cc1F	ZINC000278252267	379917245	/nfs/dbraw/zinc/91/72/45/379917245.db2.gz	XAHQNXHQULNLCF-VIFPVBQESA-N	-3	3	349.292	-0.182	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])oc1C	ZINC000614327570	379922340	/nfs/dbraw/zinc/92/23/40/379922340.db2.gz	DLWIUKOTJBOGJS-MRVPVSSYSA-N	-3	3	349.317	-0.029	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-]	ZINC000547896822	380170154	/nfs/dbraw/zinc/17/01/54/380170154.db2.gz	QMVWUROQHNMAKB-SECBINFHSA-N	-2	3	336.391	-0.238	20	0		EBADHL
COc1ccsc1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1	ZINC000548231984	380192486	/nfs/dbraw/zinc/19/24/86/380192486.db2.gz	DLDGYEKJNZXKPL-UHFFFAOYSA-N	-2	3	332.363	-0.089	20	0		EBADHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-]	ZINC000548532895	380213589	/nfs/dbraw/zinc/21/35/89/380213589.db2.gz	SICHXKLWPDYOFG-SSDOTTSWSA-N	-2	3	326.252	-0.289	20	0		EBADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCCOC[C@H]1CCCO1	ZINC000548827394	380232443	/nfs/dbraw/zinc/23/24/43/380232443.db2.gz	PXRKUHNGZSJBIV-SECBINFHSA-N	-2	3	333.366	-0.028	20	0		EBADHL
CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c1	ZINC000285321932	380240339	/nfs/dbraw/zinc/24/03/39/380240339.db2.gz	ZVEMYMHPTAUZBE-SECBINFHSA-N	-2	3	335.309	-0.274	20	0		EBADHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)o1	ZINC000405974380	380503530	/nfs/dbraw/zinc/50/35/30/380503530.db2.gz	HGVSIRCEMAEJOM-UHFFFAOYSA-N	-2	3	338.363	-0.708	20	0		EBADHL
O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c[n-]nn2)C1=O	ZINC000573205952	380663511	/nfs/dbraw/zinc/66/35/11/380663511.db2.gz	KONBFDYQFWQXJN-PWSUYJOCSA-N	-2	3	329.316	-0.039	20	0		EBADHL
O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cn[n-]n2)C1=O	ZINC000573205952	380663518	/nfs/dbraw/zinc/66/35/18/380663518.db2.gz	KONBFDYQFWQXJN-PWSUYJOCSA-N	-2	3	329.316	-0.039	20	0		EBADHL
O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cnn[n-]2)C1=O	ZINC000573205952	380663521	/nfs/dbraw/zinc/66/35/21/380663521.db2.gz	KONBFDYQFWQXJN-PWSUYJOCSA-N	-2	3	329.316	-0.039	20	0		EBADHL
Cn1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)n1	ZINC000574835792	380726445	/nfs/dbraw/zinc/72/64/45/380726445.db2.gz	PQWIUAVZHIDVHK-UHFFFAOYSA-N	-2	3	337.361	-0.125	20	0		EBADHL
C[C@](O)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)[O-]	ZINC000577751721	380841655	/nfs/dbraw/zinc/84/16/55/380841655.db2.gz	QFEDULFFTSXBMB-BZNIZROVSA-N	-2	3	336.344	-0.051	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)C[C@@H]2CCCO2)C1=O	ZINC000417445583	380893554	/nfs/dbraw/zinc/89/35/54/380893554.db2.gz	HOTZUHFAQKNKIX-SDDRHHMPSA-N	-2	3	348.421	-0.205	20	0		EBADHL
CO[C@@H](C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)CC(=O)[O-]	ZINC000583816116	381148937	/nfs/dbraw/zinc/14/89/37/381148937.db2.gz	LQENULZRBVMRCM-SSDOTTSWSA-N	-2	3	337.379	-0.131	20	0		EBADHL
Cc1ncsc1[C@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)[O-]	ZINC000583756621	381134961	/nfs/dbraw/zinc/13/49/61/381134961.db2.gz	KLKMRURLPMZACV-YUMQZZPRSA-N	-2	3	335.407	-0.027	20	0		EBADHL
O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000611956741	381729153	/nfs/dbraw/zinc/72/91/53/381729153.db2.gz	SQSLCJAOHDKKHV-SNVBAGLBSA-N	-2	3	343.299	-0.594	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1	ZINC000299205056	155148944	/nfs/dbraw/zinc/14/89/44/155148944.db2.gz	ITLHDHQDIFHQBO-UHFFFAOYSA-N	-2	3	348.308	-0.909	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000261934427	154206291	/nfs/dbraw/zinc/20/62/91/154206291.db2.gz	ZHTBDWFVQIXTEF-WPRPVWTQSA-N	-2	3	345.377	-0.109	20	0		EBADHL
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000262080405	154212071	/nfs/dbraw/zinc/21/20/71/154212071.db2.gz	AVVXFWWMFNQZHN-IUCAKERBSA-N	-2	3	348.402	-0.273	20	0		EBADHL
COC[C@@](C)(NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000262185684	154217474	/nfs/dbraw/zinc/21/74/74/154217474.db2.gz	YBFLLGHVFBUVAY-HZPDHXFCSA-N	-2	3	349.343	-0.039	20	0		EBADHL
COCC[C@H](NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000262298701	154223340	/nfs/dbraw/zinc/22/33/40/154223340.db2.gz	NCJMRDVNLNYQNW-MEDUHNTESA-N	-2	3	349.343	-0.039	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000262404548	154230661	/nfs/dbraw/zinc/23/06/61/154230661.db2.gz	OGYREAJRWHXVSJ-ISVAXAHUSA-N	-2	3	348.352	-0.556	20	0		EBADHL
CC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262524091	154234850	/nfs/dbraw/zinc/23/48/50/154234850.db2.gz	REJUSCIEKJGNMC-IONNQARKSA-N	-2	3	333.366	-0.062	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000262548307	154236669	/nfs/dbraw/zinc/23/66/69/154236669.db2.gz	SOOBXZLWAUCMIS-WRWORJQWSA-N	-2	3	336.391	-0.633	20	0		EBADHL
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000262788671	154247283	/nfs/dbraw/zinc/24/72/83/154247283.db2.gz	PHKVGZYTDKHJDA-SNVBAGLBSA-N	-2	3	332.382	-0.130	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c(C)o1	ZINC000262942810	154251406	/nfs/dbraw/zinc/25/14/06/154251406.db2.gz	LRTVXGIMHHOLBQ-XCBNKYQSSA-N	-2	3	346.361	-0.190	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N(C)C[C@@H](C)C(=O)[O-])cn1C	ZINC000263252583	154256374	/nfs/dbraw/zinc/25/63/74/154256374.db2.gz	TTYYYWOACZJARD-SECBINFHSA-N	-2	3	346.409	-0.424	20	0		EBADHL
NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n1	ZINC000344621551	156247617	/nfs/dbraw/zinc/24/76/17/156247617.db2.gz	GFHPSNQQBWESJN-UHFFFAOYSA-N	-2	3	349.328	-0.947	20	0		EBADHL
Cc1nc(=NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)s[n-]1	ZINC000362137005	157444035	/nfs/dbraw/zinc/44/40/35/157444035.db2.gz	YZGIDJNGMNZXHI-UHFFFAOYSA-N	-2	3	344.422	-0.383	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@@H]2CC(=O)[O-])c1	ZINC000653320346	419190723	/nfs/dbraw/zinc/19/07/23/419190723.db2.gz	KLVVZLXPBLRMCO-SNVBAGLBSA-N	-2	3	344.393	-0.446	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000364400523	419204986	/nfs/dbraw/zinc/20/49/86/419204986.db2.gz	PGXUOSJYHYVCFK-QMMMGPOBSA-N	-2	3	347.349	-0.549	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000364400523	419204989	/nfs/dbraw/zinc/20/49/89/419204989.db2.gz	PGXUOSJYHYVCFK-QMMMGPOBSA-N	-2	3	347.349	-0.549	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NC2(C(=O)[O-])CCCC2)c1	ZINC000532862806	419627967	/nfs/dbraw/zinc/62/79/67/419627967.db2.gz	STLMDQKUXIYCMS-UHFFFAOYSA-N	-2	3	330.366	-0.788	20	0		EBADHL
CCN(C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@@H](C)C(=O)[O-]	ZINC000659771096	419862221	/nfs/dbraw/zinc/86/22/21/419862221.db2.gz	IZDVHLMRIWDIBR-VIFPVBQESA-N	-2	3	346.409	-0.281	20	0		EBADHL
Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C2	ZINC000656180348	420882573	/nfs/dbraw/zinc/88/25/73/420882573.db2.gz	ICGJFYFWRLLLGV-LURJTMIESA-N	-2	3	326.338	-0.928	20	0		EBADHL
CC(C)(C)n1nnc(C[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)n1	ZINC000656180176	420882816	/nfs/dbraw/zinc/88/28/16/420882816.db2.gz	HEDMFDYSSLMRCJ-UHFFFAOYSA-N	-2	3	346.413	-0.441	20	0		EBADHL
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000659171485	420993774	/nfs/dbraw/zinc/99/37/74/420993774.db2.gz	QDVYVZHDUTVEOQ-WCQYABFASA-N	-2	3	347.327	-0.150	20	0		EBADHL
C[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)[C@@H]1C(=O)[O-]	ZINC000424248718	265055119	/nfs/dbraw/zinc/05/51/19/265055119.db2.gz	IIUHIUJVIOZCOT-SKDRFNHKSA-N	-2	3	344.393	-0.590	20	0		EBADHL
CC(C)C[C@H](CNC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)C(=O)[O-]	ZINC000424403392	265061150	/nfs/dbraw/zinc/06/11/50/265061150.db2.gz	AXMJFCADPUZXNV-NXEZZACHSA-N	-2	3	326.353	-0.321	20	0		EBADHL
Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1	ZINC000737538944	583013651	/nfs/dbraw/zinc/01/36/51/583013651.db2.gz	RBKJEDDVPFHZNC-LURJTMIESA-N	-2	3	336.337	-0.007	20	0		EBADHL
Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1	ZINC000737538944	583013654	/nfs/dbraw/zinc/01/36/54/583013654.db2.gz	RBKJEDDVPFHZNC-LURJTMIESA-N	-2	3	336.337	-0.007	20	0		EBADHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1F	ZINC000749143546	583125981	/nfs/dbraw/zinc/12/59/81/583125981.db2.gz	XWINEGZJWJIDOW-UHFFFAOYSA-N	-3	3	348.308	-0.689	20	0		EBADHL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1nnc2ccccc2c1[O-]	ZINC000763443770	583260748	/nfs/dbraw/zinc/26/07/48/583260748.db2.gz	FCMLJPHOMPZJJJ-UHFFFAOYSA-N	-2	3	338.345	-0.469	20	0		EBADHL
Cn1[n-]c(COC(=O)c2ccccc2[N-]S(C)(=O)=O)nc1=O	ZINC000765410333	583281296	/nfs/dbraw/zinc/28/12/96/583281296.db2.gz	RHDDSGNANMKNQD-UHFFFAOYSA-N	-2	3	326.334	-0.163	20	0		EBADHL
Cn1[n-]c(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)nc1=O	ZINC000765407504	583281318	/nfs/dbraw/zinc/28/13/18/583281318.db2.gz	CWPTUXDFJWVGKE-UHFFFAOYSA-N	-2	3	326.334	-0.163	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1F	ZINC000769523375	583324585	/nfs/dbraw/zinc/32/45/85/583324585.db2.gz	WRRJCQOOOTWERI-JTQLQIEISA-N	-2	3	346.336	-0.341	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])ccc1F	ZINC000769746626	583327090	/nfs/dbraw/zinc/32/70/90/583327090.db2.gz	MDWPWPDMEICJEV-GFCCVEGCSA-N	-2	3	334.325	-0.701	20	0		EBADHL
COc1ccc(C(=O)[N-]C(=O)CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1	ZINC000778954533	583429438	/nfs/dbraw/zinc/42/94/38/583429438.db2.gz	YGVDFOJZCOLAJP-GFCCVEGCSA-N	-2	3	346.343	-0.812	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000820542717	583775259	/nfs/dbraw/zinc/77/52/59/583775259.db2.gz	QYZQKUJEYDOQSQ-KOLCDFICSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000820542717	583775261	/nfs/dbraw/zinc/77/52/61/583775261.db2.gz	QYZQKUJEYDOQSQ-KOLCDFICSA-N	-2	3	347.331	-0.054	20	0		EBADHL
CC(C)[C@H](CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)NC(=O)[O-]	ZINC000824111254	583841437	/nfs/dbraw/zinc/84/14/37/583841437.db2.gz	QYPWDLULPOUZST-VIFPVBQESA-N	-2	3	347.397	-0.893	20	0		EBADHL
C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000824680205	583848904	/nfs/dbraw/zinc/84/89/04/583848904.db2.gz	ZCFGKQNXXRDMGQ-JMCQJSRRSA-N	-2	3	346.347	-0.214	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000824744941	583849970	/nfs/dbraw/zinc/84/99/70/583849970.db2.gz	JSLNDWYDPRMUSS-PSLIRLAXSA-N	-2	3	347.331	-0.006	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000824744941	583849971	/nfs/dbraw/zinc/84/99/71/583849971.db2.gz	JSLNDWYDPRMUSS-PSLIRLAXSA-N	-2	3	347.331	-0.006	20	0		EBADHL
CCC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1nnn[n-]1	ZINC000825241867	583856788	/nfs/dbraw/zinc/85/67/88/583856788.db2.gz	CBBHMWUNLUMSTB-SSDOTTSWSA-N	-2	3	332.328	-0.124	20	0		EBADHL
CCC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1nn[n-]n1	ZINC000825241867	583856790	/nfs/dbraw/zinc/85/67/90/583856790.db2.gz	CBBHMWUNLUMSTB-SSDOTTSWSA-N	-2	3	332.328	-0.124	20	0		EBADHL
CCC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1nnn[n-]1	ZINC000825241867	583856792	/nfs/dbraw/zinc/85/67/92/583856792.db2.gz	CBBHMWUNLUMSTB-SSDOTTSWSA-N	-2	3	332.328	-0.124	20	0		EBADHL
CCC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1nn[n-]n1	ZINC000825241867	583856793	/nfs/dbraw/zinc/85/67/93/583856793.db2.gz	CBBHMWUNLUMSTB-SSDOTTSWSA-N	-2	3	332.328	-0.124	20	0		EBADHL
C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H]1CCCN(C(=O)[O-])C1	ZINC000825458662	583861000	/nfs/dbraw/zinc/86/10/00/583861000.db2.gz	JUUZRCRRKDSGQY-BQBZGAKWSA-N	-2	3	325.325	-0.022	20	0		EBADHL
CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000825976568	583872623	/nfs/dbraw/zinc/87/26/23/583872623.db2.gz	LTFUQDDZSGFQGH-UHFFFAOYSA-N	-2	3	328.292	-0.265	20	0		EBADHL
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000825976568	583872624	/nfs/dbraw/zinc/87/26/24/583872624.db2.gz	LTFUQDDZSGFQGH-UHFFFAOYSA-N	-2	3	328.292	-0.265	20	0		EBADHL
CN1C(=O)CN([N-]C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1=O	ZINC000826010065	583873758	/nfs/dbraw/zinc/87/37/58/583873758.db2.gz	BMKWNNZACZJALO-UHFFFAOYSA-N	-2	3	337.246	-0.316	20	0		EBADHL
CN1C(=O)CN([N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1=O	ZINC000826010065	583873759	/nfs/dbraw/zinc/87/37/59/583873759.db2.gz	BMKWNNZACZJALO-UHFFFAOYSA-N	-2	3	337.246	-0.316	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1	ZINC000826449997	583902753	/nfs/dbraw/zinc/90/27/53/583902753.db2.gz	SEHXHLUJRLUQRG-SECBINFHSA-N	-2	3	337.361	-0.037	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1	ZINC000826449997	583902755	/nfs/dbraw/zinc/90/27/55/583902755.db2.gz	SEHXHLUJRLUQRG-SECBINFHSA-N	-2	3	337.361	-0.037	20	0		EBADHL
O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000826482303	583904709	/nfs/dbraw/zinc/90/47/09/583904709.db2.gz	ZKUDOYHQWWQQAN-ZCFIWIBFSA-N	-2	3	333.333	-0.696	20	0		EBADHL
CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1=O	ZINC000826956517	583912754	/nfs/dbraw/zinc/91/27/54/583912754.db2.gz	UDVVQRSYVXZPDK-JTQLQIEISA-N	-2	3	347.393	-0.847	20	0		EBADHL
CN1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@H](CNC(=O)[O-])C1	ZINC000828513573	583941548	/nfs/dbraw/zinc/94/15/48/583941548.db2.gz	MFZMBTWVIWHDDC-SNVBAGLBSA-N	-2	3	346.343	-0.406	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1	ZINC000829890369	583959740	/nfs/dbraw/zinc/95/97/40/583959740.db2.gz	PKYATIRLWHPKSO-APPZFPTMSA-N	-2	3	331.350	-0.072	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1	ZINC000829890369	583959741	/nfs/dbraw/zinc/95/97/41/583959741.db2.gz	PKYATIRLWHPKSO-APPZFPTMSA-N	-2	3	331.350	-0.072	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])CC(=O)OC)c(C)o1	ZINC000831029324	583974950	/nfs/dbraw/zinc/97/49/50/583974950.db2.gz	OSHUZCVUQWNCGW-UHFFFAOYSA-N	-2	3	348.333	-0.804	20	0		EBADHL
COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc2nonc21	ZINC000831071636	583975690	/nfs/dbraw/zinc/97/56/90/583975690.db2.gz	DRXQOMDMWJATBL-ZETCQYMHSA-N	-2	3	329.290	-0.483	20	0		EBADHL
O=C([O-])N1CCC(=O)[C@@H](OC(=O)CNC(=O)c2ccc([O-])cc2)C1	ZINC000831492377	583983615	/nfs/dbraw/zinc/98/36/15/583983615.db2.gz	BZUIRGCLHZPMFI-LBPRGKRZSA-N	-2	3	336.300	-0.013	20	0		EBADHL
Cc1cc(N2CC[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])C2=O)n(C)n1	ZINC000832888195	584002335	/nfs/dbraw/zinc/00/23/35/584002335.db2.gz	DLTHMVNFXQBYPO-JTQLQIEISA-N	-2	3	344.393	-0.382	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H](C(=O)[O-])C2CC2)cn1C	ZINC000833002889	584002769	/nfs/dbraw/zinc/00/27/69/584002769.db2.gz	IHVMRRYVMCOLQF-GFCCVEGCSA-N	-2	3	344.393	-0.624	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cn1C	ZINC000833003398	584002955	/nfs/dbraw/zinc/00/29/55/584002955.db2.gz	QZHDZJGLDMPQRJ-WPRPVWTQSA-N	-2	3	344.393	-0.814	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NCc2ccc(C(=O)[O-])o2)c1	ZINC000833057543	584003750	/nfs/dbraw/zinc/00/37/50/584003750.db2.gz	CJLRDUWONOFUQM-UHFFFAOYSA-N	-2	3	342.333	-0.694	20	0		EBADHL
O=C([O-])c1cccc(NC(=O)CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1	ZINC000833108328	584005840	/nfs/dbraw/zinc/00/58/40/584005840.db2.gz	OCYWDRZLPRDSQN-LLVKDONJSA-N	-2	3	332.316	-0.441	20	0		EBADHL
CN(C(=O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccccc1C(=O)[O-]	ZINC000833684706	584013603	/nfs/dbraw/zinc/01/36/03/584013603.db2.gz	PFNHDRWCVDIJNI-LBPRGKRZSA-N	-2	3	346.343	-0.416	20	0		EBADHL
COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000833702712	584014417	/nfs/dbraw/zinc/01/44/17/584014417.db2.gz	YGMGYQLCMMNAEF-ZBEGNZNMSA-N	-2	3	347.327	-0.117	20	0		EBADHL
O=C([O-])c1ccc(OC[C@@H](O)CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1	ZINC000833783056	584016191	/nfs/dbraw/zinc/01/61/91/584016191.db2.gz	UKIJXSBECSCFEY-WCQYABFASA-N	-2	3	349.343	-0.640	20	0		EBADHL
O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)C[C@H]21	ZINC000834173682	584027714	/nfs/dbraw/zinc/02/77/14/584027714.db2.gz	FEAWFGSGFNDYLI-GWOFURMSSA-N	-2	3	338.364	-0.131	20	0		EBADHL
O=C([O-])NCCNC(=O)NCC[N-]S(=O)(=O)c1cccs1	ZINC000834243995	584030004	/nfs/dbraw/zinc/03/00/04/584030004.db2.gz	ZLXWCGWWAZSQTP-UHFFFAOYSA-N	-2	3	336.395	-0.407	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000844601057	584095336	/nfs/dbraw/zinc/09/53/36/584095336.db2.gz	CDDXERUGIGBUGV-LLVKDONJSA-N	-2	3	349.347	-0.374	20	0		EBADHL
Cc1ccc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])c(Cl)n1	ZINC000844795535	584097034	/nfs/dbraw/zinc/09/70/34/584097034.db2.gz	GIUGFLZJPVIYEB-UHFFFAOYSA-N	-2	3	335.769	-0.087	20	0		EBADHL
COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c1	ZINC000848675630	584160439	/nfs/dbraw/zinc/16/04/39/584160439.db2.gz	GMXONVICLWKJQP-MRVPVSSYSA-N	-2	3	335.309	-0.355	20	0		EBADHL
CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@H]1CCOC1	ZINC000851017956	584191286	/nfs/dbraw/zinc/19/12/86/584191286.db2.gz	ZMNDEAXNZIWUOT-UFBFGSQYSA-N	-2	3	340.361	-0.186	20	0		EBADHL
CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000853231975	584225985	/nfs/dbraw/zinc/22/59/85/584225985.db2.gz	YUVXEVKQVRIRHF-UHFFFAOYSA-N	-2	3	325.364	-0.001	20	0		EBADHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCC(=O)N2CCOCC2)o1	ZINC000317045487	599768278	/nfs/dbraw/zinc/76/82/78/599768278.db2.gz	OWPAPDLSZMUBLZ-UHFFFAOYSA-N	-2	3	332.334	-0.495	20	0		EBADHL
CNC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000390499152	599769740	/nfs/dbraw/zinc/76/97/40/599769740.db2.gz	KJZYFQSWAFAPJQ-UHFFFAOYSA-N	-2	3	345.377	-0.534	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(N)=O	ZINC000055313529	602141270	/nfs/dbraw/zinc/14/12/70/602141270.db2.gz	ZTACDTJOCPYHPA-GSVOUGTGSA-N	-2	3	341.139	-0.108	20	0		EBADHL
CCNC(=O)[N-][N-]S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1	ZINC000064940100	649963838	/nfs/dbraw/zinc/96/38/38/649963838.db2.gz	DVZRAGLCDSZUBT-UHFFFAOYSA-N	-3	3	347.349	-0.086	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)c2cnc[n-]c2=O)c1[O-]	ZINC000956067692	720348362	/nfs/dbraw/zinc/34/83/62/720348362.db2.gz	MJXINFNHMWSJBV-VIFPVBQESA-N	-2	3	346.347	-0.046	20	0		EBADHL
C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnc[n-]c1=O	ZINC000966892460	724777221	/nfs/dbraw/zinc/77/72/21/724777221.db2.gz	NAMMEEABBRXXRM-PSASIEDQSA-N	-2	3	333.352	-0.354	20	0		EBADHL
Cc1n[nH]c(C(=O)NC2CCN(Cc3nc(=O)n(C)[n-]3)CC2)c1[O-]	ZINC001002605974	726643566	/nfs/dbraw/zinc/64/35/66/726643566.db2.gz	JNTSNYGTSGWAFQ-UHFFFAOYSA-N	-2	3	335.368	-0.760	20	0		EBADHL
Cn1[n-]c(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001007182410	726790134	/nfs/dbraw/zinc/79/01/34/726790134.db2.gz	BAVNULJXIFWOLE-SNVBAGLBSA-N	-2	3	332.364	-0.397	20	0		EBADHL
O=C(NC[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc[n-]c1=O	ZINC001023440419	729690296	/nfs/dbraw/zinc/69/02/96/729690296.db2.gz	DRBHCIJMKGFCTF-SECBINFHSA-N	-2	3	333.352	-0.352	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001028088060	730265348	/nfs/dbraw/zinc/26/53/48/730265348.db2.gz	DKNPCPKUOYJVEQ-VIFPVBQESA-N	-2	3	333.352	-0.291	20	0		EBADHL
CN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033024230	730958920	/nfs/dbraw/zinc/95/89/20/730958920.db2.gz	BNPHLPLJQVUDPG-JTQLQIEISA-N	-2	3	332.364	-0.445	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CC3(C2)CCN(Cc2nc(=O)n(C)[n-]2)C3)c1[O-]	ZINC001072625320	741446260	/nfs/dbraw/zinc/44/62/60/741446260.db2.gz	FSMCJQRDYMIWTG-UHFFFAOYSA-N	-2	3	347.379	-0.806	20	0		EBADHL
Cn1[n-]c(CN2CCC(NC(=O)c3ncccc3[O-])CC2)nc1=O	ZINC001002659003	809760453	/nfs/dbraw/zinc/76/04/53/809760453.db2.gz	IDSHFTIBULNTPY-UHFFFAOYSA-N	-2	3	332.364	-0.397	20	0		EBADHL
Cc1[nH]nc(C(=O)N(C)C2CCN(Cc3nc(=O)n(C)[n-]3)CC2)c1[O-]	ZINC001005262577	809843750	/nfs/dbraw/zinc/84/37/50/809843750.db2.gz	OJMJCTJFSOBVFM-UHFFFAOYSA-N	-2	3	349.395	-0.418	20	0		EBADHL
Cc1c(=O)[n-]cnc1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001226071771	811845484	/nfs/dbraw/zinc/84/54/84/811845484.db2.gz	UMRGOJSOBOTIBL-JTQLQIEISA-N	-2	3	333.366	-0.542	20	0		EBADHL
COC(=O)c1ccc([O-])cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228192633	811968631	/nfs/dbraw/zinc/96/86/31/811968631.db2.gz	NETPBZQFZAJBNI-MRVPVSSYSA-N	-3	3	336.189	-0.446	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1cc2c(cc1[O-])CCC2=O)[C@@H](O)C(=O)[O-]	ZINC001228855763	812000083	/nfs/dbraw/zinc/00/00/83/812000083.db2.gz	QGNJPQBFWAYABC-AMIZOPFISA-N	-3	3	338.268	-0.037	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2c1SCC2)[C@H](O)C(=O)[O-]	ZINC001230791667	812236116	/nfs/dbraw/zinc/23/61/16/812236116.db2.gz	GMAYYRZOHREEJC-FFWSUHOLSA-N	-3	3	344.301	-0.728	20	0		EBADHL
O=C1COc2ccc(S(=O)(=O)NCCP(=O)([O-])[O-])cc2N1	ZINC001260675469	812845644	/nfs/dbraw/zinc/84/56/44/812845644.db2.gz	JOZCKKRDGGMAPV-UHFFFAOYSA-N	-2	3	336.262	-0.527	20	0		EBADHL
O=C([N-]c1nnco1)c1n[nH]c2c1CN(C(=O)c1cc(=O)[nH][n-]1)CC2	ZINC001276020007	817341979	/nfs/dbraw/zinc/34/19/79/817341979.db2.gz	XUBGYMWZJKGAAE-UHFFFAOYSA-N	-2	3	344.291	-0.328	20	0		EBADHL
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1)c1cnc[n-]c1=O	ZINC001097299624	818971696	/nfs/dbraw/zinc/97/16/96/818971696.db2.gz	VXFLTFYWQLZVRZ-QNSHHTMESA-N	-2	3	331.336	-0.459	20	0		EBADHL
C[C@]1(CNC(=O)c2cnc[n-]c2=O)CN(Cc2n[nH]c(=O)[n-]2)CCO1	ZINC001108012803	824089655	/nfs/dbraw/zinc/08/96/55/824089655.db2.gz	DYUHWZLRHBLHGI-AWEZNQCLSA-N	-2	3	349.351	-0.973	20	0		EBADHL
CC(=O)c1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ccc1[O-]	ZINC001148668631	830526554	/nfs/dbraw/zinc/52/65/54/830526554.db2.gz	FNLOHXMIUOWQSL-KGFZYKRKSA-N	-2	3	342.329	-0.273	20	0		EBADHL
O=S(=O)([O-])C[N-]S(=O)(=O)c1cccc(Br)n1	ZINC001196326080	835398441	/nfs/dbraw/zinc/39/84/41/835398441.db2.gz	BDCLIHGWGWNSRN-UHFFFAOYSA-N	-2	3	331.169	-0.032	20	0		EBADHL
O=C(NCCNC(=O)c1ccc([O-])cc1)c1c[n-]n2c1nccc2=O	ZINC001327230323	840333139	/nfs/dbraw/zinc/33/31/39/840333139.db2.gz	HLCHCKOXICJNQU-UHFFFAOYSA-N	-2	3	341.327	-0.112	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001600810080	970870045	/nfs/dbraw/zinc/87/00/45/970870045.db2.gz	UCKVHWFBWXBCBQ-JTQLQIEISA-N	-2	3	345.377	-0.107	20	0		EBADHL
C[C@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001573623396	947686502	/nfs/dbraw/zinc/68/65/02/947686502.db2.gz	FHNZLNZRVNEXNY-HTQZYQBOSA-N	-2	3	344.339	-0.536	20	0		EBADHL
COc1ncc(NC(=O)CSc2n[nH]c(=O)[n-]2)cc1-c1nnn[n-]1	ZINC001570950541	949689214	/nfs/dbraw/zinc/68/92/14/949689214.db2.gz	LCMOQLADZHYESR-UHFFFAOYSA-N	-2	3	349.336	-0.175	20	0		EBADHL
O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1cc(=O)[n-]c(C2CC2)n1	ZINC001594961412	955018878	/nfs/dbraw/zinc/01/88/78/955018878.db2.gz	KVOUWJNIRWYEMR-JTQLQIEISA-N	-2	3	327.362	-0.257	20	0		EBADHL
Cc1nc2c(c(=O)[n-]1)CN(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2	ZINC001594460351	959450260	/nfs/dbraw/zinc/45/02/60/959450260.db2.gz	IRXXGKZUNZLBIB-UHFFFAOYSA-N	-2	3	342.377	-0.152	20	0		EBADHL
CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001571191956	962268731	/nfs/dbraw/zinc/26/87/31/962268731.db2.gz	XJCIOJZQBUERDX-SFYZADRCSA-N	-2	3	330.366	-0.391	20	0		EBADHL
CC(C)S(=O)(=O)CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000313314666	963637347	/nfs/dbraw/zinc/63/73/47/963637347.db2.gz	IVVAETYITPGBRZ-UHFFFAOYSA-N	-2	3	325.368	-0.791	20	0		EBADHL
CS(=O)(=O)C1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1	ZINC000393666505	972625659	/nfs/dbraw/zinc/62/56/59/972625659.db2.gz	UAQWHXVEFBHZJW-UHFFFAOYSA-N	-2	3	340.404	-0.303	20	0		EBADHL
CC(CO)(CO)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000393879171	972654259	/nfs/dbraw/zinc/65/42/59/972654259.db2.gz	CZLQABQDEOMRGI-UHFFFAOYSA-N	-2	3	339.316	-0.068	20	0		EBADHL
CO[C@H](C(=O)[O-])C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-]	ZINC001604423945	973204283	/nfs/dbraw/zinc/20/42/83/973204283.db2.gz	KVJHXJBJJNRNCB-NRPADANISA-N	-2	3	325.321	-0.034	20	0		EBADHL
CC[C@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C(=O)N1CCOCC1	ZINC001595316012	980480327	/nfs/dbraw/zinc/48/03/27/980480327.db2.gz	APBQJFKCWFOHCR-JTQLQIEISA-N	-2	3	346.361	-0.107	20	0		EBADHL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](CCOC)C(=O)[O-]	ZINC001596696403	984830256	/nfs/dbraw/zinc/83/02/56/984830256.db2.gz	AXGITZYEYSAXBN-QMMMGPOBSA-N	-2	3	349.365	-0.337	20	0		EBADHL
C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1Nc1ccnc(C(=O)[O-])n1	ZINC001599862039	989183804	/nfs/dbraw/zinc/18/38/04/989183804.db2.gz	MSBWWGQZMLXNCR-PSASIEDQSA-N	-2	3	344.331	-0.335	20	0		EBADHL
CNS(=O)(=O)CCC[N-]S(=O)(=O)c1occc1C(=O)[O-]	ZINC001598672381	994779366	/nfs/dbraw/zinc/77/93/66/994779366.db2.gz	PCSNNGQPAZIOGS-UHFFFAOYSA-N	-2	3	326.352	-0.805	20	0		EBADHL
COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001598696972	995155392	/nfs/dbraw/zinc/15/53/92/995155392.db2.gz	GXKFAQDDHXTLLQ-MRVPVSSYSA-N	-2	3	344.336	-0.186	20	0		EBADHL
CC1(C(=O)[O-])CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1	ZINC001593802700	996529649	/nfs/dbraw/zinc/52/96/49/996529649.db2.gz	HARSBUYGYBIQCE-UHFFFAOYSA-N	-2	3	346.137	-0.356	20	0		EBADHL
COC(=O)[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC001598893720	997040042	/nfs/dbraw/zinc/04/00/42/997040042.db2.gz	SZAURWHEZBJILA-MRVPVSSYSA-N	-2	3	339.366	-0.489	20	0		EBADHL
CO[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@@](C)(C(=O)[O-])C1	ZINC001599129617	997918053	/nfs/dbraw/zinc/91/80/53/997918053.db2.gz	IASCIWNUNGTVNL-YMTOWFKASA-N	-2	3	332.320	-0.034	20	0		EBADHL
CO[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@@](C)(C(=O)[O-])C1	ZINC001599129617	997918065	/nfs/dbraw/zinc/91/80/65/997918065.db2.gz	IASCIWNUNGTVNL-YMTOWFKASA-N	-2	3	332.320	-0.034	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)[O-])oc1C	ZINC001598951724	998166261	/nfs/dbraw/zinc/16/62/61/998166261.db2.gz	ZBTXVLCTAXJDSB-SECBINFHSA-N	-2	3	335.334	-0.123	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c(F)c1	ZINC000558263861	376239633	/nfs/dbraw/zinc/23/96/33/376239633.db2.gz	UTCNQBKJCQQYIV-VIFPVBQESA-N	-2	3	335.309	-0.274	20	0		EBADHL
Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CN1CC(=O)[N-]C1=O	ZINC000560449925	376699922	/nfs/dbraw/zinc/69/99/22/376699922.db2.gz	MAOKISFVDMMBOS-UHFFFAOYSA-N	-2	3	330.304	-0.024	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O	ZINC000560896749	376786148	/nfs/dbraw/zinc/78/61/48/376786148.db2.gz	ZJLFZJFOCPXYEI-WKEGUHRASA-N	-2	3	335.334	-0.259	20	0		EBADHL
CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CF)C(=O)[O-]	ZINC000570568371	377256730	/nfs/dbraw/zinc/25/67/30/377256730.db2.gz	VUJQUMFCMYYWDV-SSDOTTSWSA-N	-2	3	340.354	-0.704	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)c1	ZINC000570605774	377258819	/nfs/dbraw/zinc/25/88/19/377258819.db2.gz	NADRTDHAGYSXTQ-QUBYGPBYSA-N	-2	3	335.309	-0.275	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-])c(F)c1	ZINC000589063156	377397164	/nfs/dbraw/zinc/39/71/64/377397164.db2.gz	SWUXXIHJXXBTAS-SECBINFHSA-N	-2	3	335.309	-0.010	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])cc1F	ZINC000594683004	377947877	/nfs/dbraw/zinc/94/78/77/377947877.db2.gz	JHRDYFQYOPDXKF-LBPRGKRZSA-N	-2	3	335.309	-0.274	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N(C)CCC(=O)[O-]	ZINC000263034256	379013346	/nfs/dbraw/zinc/01/33/46/379013346.db2.gz	UZBUSFXYHIXOLH-MRVPVSSYSA-N	-2	3	333.366	-0.109	20	0		EBADHL
CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[N-]OCC(N)=O	ZINC000271386691	379522003	/nfs/dbraw/zinc/52/20/03/379522003.db2.gz	KNRJDCHNYPEZJD-LBPRGKRZSA-N	-2	3	347.368	-0.338	20	0		EBADHL
CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)c1nnn[n-]1	ZINC000274485411	379695820	/nfs/dbraw/zinc/69/58/20/379695820.db2.gz	CEJOVCZWEXDBOK-SECBINFHSA-N	-2	3	339.381	-0.226	20	0		EBADHL
CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)c1nn[n-]n1	ZINC000274485411	379695830	/nfs/dbraw/zinc/69/58/30/379695830.db2.gz	CEJOVCZWEXDBOK-SECBINFHSA-N	-2	3	339.381	-0.226	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c(Cl)c1	ZINC000274880422	379719736	/nfs/dbraw/zinc/71/97/36/379719736.db2.gz	CNKRTQIFONSPSC-QMMMGPOBSA-N	-2	3	337.737	-0.150	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])cc1F	ZINC000277887650	379905811	/nfs/dbraw/zinc/90/58/11/379905811.db2.gz	CAABQFPOZYIQGZ-VIFPVBQESA-N	-2	3	348.308	-0.781	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1nc(=O)o[n-]1	ZINC000280221843	379975846	/nfs/dbraw/zinc/97/58/46/379975846.db2.gz	WTKAOBVVCHYSOF-SSDOTTSWSA-N	-2	3	346.390	-0.550	20	0		EBADHL
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2ccc3c(c2)OCO3)nn1	ZINC000548266429	380195814	/nfs/dbraw/zinc/19/58/14/380195814.db2.gz	URVFTPLSWBECKH-UHFFFAOYSA-N	-2	3	340.317	-0.430	20	0		EBADHL
Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2cn(C)c(C)n2)C(=O)[O-])n1	ZINC000548534500	380213403	/nfs/dbraw/zinc/21/34/03/380213403.db2.gz	HVFZMSCKBGGSOI-LLVKDONJSA-N	-2	3	341.393	-0.026	20	0		EBADHL
CO[C@@H](C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-]	ZINC000548549766	380214448	/nfs/dbraw/zinc/21/44/48/380214448.db2.gz	LEWAJOAZMMJDAP-VIFPVBQESA-N	-2	3	336.391	-0.238	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-][C@@H](Cc2cnn(C)c2)C(=O)[O-])nc1C	ZINC000548556492	380214684	/nfs/dbraw/zinc/21/46/84/380214684.db2.gz	HMMISLJMTTXNPF-NSHDSACASA-N	-2	3	341.393	-0.081	20	0		EBADHL
CC(C)n1cnc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)c1	ZINC000548544581	380215363	/nfs/dbraw/zinc/21/53/63/380215363.db2.gz	VWNUUZQWGHEDBI-JTQLQIEISA-N	-2	3	344.393	-0.325	20	0		EBADHL
O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl	ZINC000548555114	380215436	/nfs/dbraw/zinc/21/54/36/380215436.db2.gz	WFXQHXOPIRWYNA-LURJTMIESA-N	-2	3	336.709	-0.502	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)c1	ZINC000574633600	380719090	/nfs/dbraw/zinc/71/90/90/380719090.db2.gz	YGOOEUPGIHSJJI-AAEUAGOBSA-N	-2	3	339.373	-0.245	20	0		EBADHL
CO[C@H](C)CS(=O)(=O)[N-][C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417441627	380889194	/nfs/dbraw/zinc/88/91/94/380889194.db2.gz	AYEWQKYHUCBVLI-MXWKQRLJSA-N	-2	3	336.410	-0.349	20	0		EBADHL
CO[C@H](C)CS(=O)(=O)[N-][C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000417441628	380890580	/nfs/dbraw/zinc/89/05/80/380890580.db2.gz	AYEWQKYHUCBVLI-OUAUKWLOSA-N	-2	3	336.410	-0.349	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@@H]([N-]S(=O)(=O)c2cn(C)cn2)C1=O	ZINC000417444715	380893599	/nfs/dbraw/zinc/89/35/99/380893599.db2.gz	DLGOMYVWIBUZPM-MWLCHTKSSA-N	-2	3	344.393	-0.592	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)C(=O)[O-]	ZINC000584759557	381207507	/nfs/dbraw/zinc/20/75/07/381207507.db2.gz	VFAKOWSXCJDJKF-SNVBAGLBSA-N	-2	3	335.309	-0.010	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-])cc1F	ZINC000571983617	381631587	/nfs/dbraw/zinc/63/15/87/381631587.db2.gz	SFRSBHHKDDNSNF-SNVBAGLBSA-N	-2	3	335.309	-0.010	20	0		EBADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC1CCS(=O)(=O)CC1	ZINC000580428118	381754060	/nfs/dbraw/zinc/75/40/60/381754060.db2.gz	ZGPHTSLOICWTJH-UHFFFAOYSA-N	-2	3	337.379	-0.789	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-]	ZINC000274937128	292012980	/nfs/dbraw/zinc/01/29/80/292012980.db2.gz	QFXRIMMICPUIOK-QMMMGPOBSA-N	-2	3	348.308	-0.781	20	0		EBADHL
COCC[C@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-]	ZINC000262321418	154225057	/nfs/dbraw/zinc/22/50/57/154225057.db2.gz	RZHXTLNZODYVSV-LBPRGKRZSA-N	-2	3	349.343	-0.314	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NC(C)(C)C(=O)[O-]	ZINC000262476137	154233235	/nfs/dbraw/zinc/23/32/35/154233235.db2.gz	SYEGNSRJYRTEAN-SSDOTTSWSA-N	-2	3	333.366	-0.062	20	0		EBADHL
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000262788668	154246949	/nfs/dbraw/zinc/24/69/49/154246949.db2.gz	PHKVGZYTDKHJDA-JTQLQIEISA-N	-2	3	332.382	-0.130	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c(C)o1	ZINC000262864530	154250120	/nfs/dbraw/zinc/25/01/20/154250120.db2.gz	DVFYAXHTJZCXBF-GFCCVEGCSA-N	-2	3	332.334	-0.530	20	0		EBADHL
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1	ZINC000263146746	154254963	/nfs/dbraw/zinc/25/49/63/154254963.db2.gz	FASCJVSCFQEMRE-NXEZZACHSA-N	-2	3	344.393	-0.732	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000263268926	154256713	/nfs/dbraw/zinc/25/67/13/154256713.db2.gz	HXDNCJILNFQMBT-YUMQZZPRSA-N	-2	3	333.366	-0.110	20	0		EBADHL
O=C([O-])COCCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000263406163	154257809	/nfs/dbraw/zinc/25/78/09/154257809.db2.gz	GDUBSVCPUBRQKR-UHFFFAOYSA-N	-2	3	335.316	-0.703	20	0		EBADHL
C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000263549651	154258900	/nfs/dbraw/zinc/25/89/00/154258900.db2.gz	JTTRYQMWRURPBG-VIFPVBQESA-N	-2	3	348.402	-0.310	20	0		EBADHL
CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CN1CC(=O)[N-]C1=O	ZINC000358916391	157288904	/nfs/dbraw/zinc/28/89/04/157288904.db2.gz	ANDXCEDBDFDWTB-UHFFFAOYSA-N	-2	3	344.324	-0.313	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC(C)(C)c1nnn[n-]1	ZINC000359780229	157341647	/nfs/dbraw/zinc/34/16/47/157341647.db2.gz	AHPATOWJHZFYKV-SSDOTTSWSA-N	-2	3	344.422	-0.021	20	0		EBADHL
CC[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000647258126	419054039	/nfs/dbraw/zinc/05/40/39/419054039.db2.gz	QHTLZRVETVKMRY-LURJTMIESA-N	-2	3	334.126	-0.309	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1	ZINC000647262334	419056800	/nfs/dbraw/zinc/05/68/00/419056800.db2.gz	VIXQISFKEJUYFY-WCBMZHEXSA-N	-2	3	327.362	-0.027	20	0		EBADHL
O=C([O-])[C@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1F	ZINC000647733691	419244817	/nfs/dbraw/zinc/24/48/17/419244817.db2.gz	XOBQYOUNDXGLQO-SNVBAGLBSA-N	-2	3	346.336	-0.584	20	0		EBADHL
CC(C)(C)C(=O)Cn1cc(C(=O)[N-]c2ncn(CC(=O)[O-])n2)nn1	ZINC000647782571	419284332	/nfs/dbraw/zinc/28/43/32/419284332.db2.gz	SCIYNXGGBQHNBA-UHFFFAOYSA-N	-2	3	335.324	-0.178	20	0		EBADHL
COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000264435373	420816815	/nfs/dbraw/zinc/81/68/15/420816815.db2.gz	AUFDQKZZHTWPIB-UHFFFAOYSA-N	-2	3	344.345	-0.194	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])cn1	ZINC000656165616	420882185	/nfs/dbraw/zinc/88/21/85/420882185.db2.gz	WWETZZZBTKULBK-QMMMGPOBSA-N	-2	3	340.354	-0.424	20	0		EBADHL
C[C@]1(c2cccc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])c2)NC(=O)[N-]C1=O	ZINC000659172653	420993085	/nfs/dbraw/zinc/99/30/85/420993085.db2.gz	NGOSLWNZKJASMS-OHUAYANFSA-N	-2	3	347.327	-0.287	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)cn1	ZINC000663143559	421127110	/nfs/dbraw/zinc/12/71/10/421127110.db2.gz	DPTVVDPKGMHERV-UHFFFAOYSA-N	-2	3	343.361	-0.647	20	0		EBADHL
Cn1ccnc1-c1cc(NC(=O)CNC(=O)c2ncccc2[O-])n[n-]1	ZINC000344352555	421184973	/nfs/dbraw/zinc/18/49/73/421184973.db2.gz	ZJZUXALBHSMEMC-UHFFFAOYSA-N	-2	3	341.331	0.279	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nncn2-c2cccnc2)o1	ZINC000377146513	421220218	/nfs/dbraw/zinc/22/02/18/421220218.db2.gz	LFSHUSDFTYZWOX-UHFFFAOYSA-N	-2	3	348.344	0.416	20	0		EBADHL
C[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)[C@@H]1C(=O)[O-]	ZINC000424248714	265055058	/nfs/dbraw/zinc/05/50/58/265055058.db2.gz	IIUHIUJVIOZCOT-CABZTGNLSA-N	-2	3	344.393	-0.590	20	0		EBADHL
CC(C)C[C@@H](CNC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)C(=O)[O-]	ZINC000424403399	265060739	/nfs/dbraw/zinc/06/07/39/265060739.db2.gz	AXMJFCADPUZXNV-UWVGGRQHSA-N	-2	3	326.353	-0.321	20	0		EBADHL
CCC(CC)(CNC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)C(=O)[O-]	ZINC000424421076	265061265	/nfs/dbraw/zinc/06/12/65/265061265.db2.gz	CNFIPPYZWITUJR-SECBINFHSA-N	-2	3	326.353	-0.177	20	0		EBADHL
CC(C)(C[N-]S(=O)(=O)c1scnc1C(=O)[O-])S(C)(=O)=O	ZINC000134723718	545857645	/nfs/dbraw/zinc/85/76/45/545857645.db2.gz	HGMQVUKBRVIFFZ-UHFFFAOYSA-N	-2	3	342.420	-0.057	20	0		EBADHL
NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000671661038	546033674	/nfs/dbraw/zinc/03/36/74/546033674.db2.gz	FAOZPFZXLGPTFT-UHFFFAOYSA-N	-2	3	335.301	-0.807	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1	ZINC000676218803	546200147	/nfs/dbraw/zinc/20/01/47/546200147.db2.gz	ZNCPWLQFJDYWML-JTQLQIEISA-N	-2	3	344.393	-0.588	20	0		EBADHL
CO[C@@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-]	ZINC000681580473	546307527	/nfs/dbraw/zinc/30/75/27/546307527.db2.gz	MHLBCROFWLDYTO-QMMMGPOBSA-N	-2	3	337.375	-0.532	20	0		EBADHL
COc1ccc(F)cc1S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-]	ZINC000650393102	582548271	/nfs/dbraw/zinc/54/82/71/582548271.db2.gz	AFNOVKNLFICFNJ-MRVPVSSYSA-N	-2	3	334.325	-0.169	20	0		EBADHL
O=C(Cn1cc(Br)c(=O)[n-]c1=O)[N-]OC[C@@H]1CCOC1	ZINC000788271642	582672203	/nfs/dbraw/zinc/67/22/03/582672203.db2.gz	OMSIOOWHADFDGX-SSDOTTSWSA-N	-2	3	348.153	-0.204	20	0		EBADHL
Cc1cc([N-]C(=O)[C@H](C)OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)on1	ZINC000730659519	582831363	/nfs/dbraw/zinc/83/13/63/582831363.db2.gz	WXTZRNFJNGXBLF-QMMMGPOBSA-N	-2	3	346.303	-0.062	20	0		EBADHL
COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1	ZINC000838917839	583058472	/nfs/dbraw/zinc/05/84/72/583058472.db2.gz	RHDSKLVETSKGDE-SSDOTTSWSA-N	-2	3	326.334	-0.038	20	0		EBADHL
CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)n1	ZINC000838913566	583058663	/nfs/dbraw/zinc/05/86/63/583058663.db2.gz	VHUFLWRXBNNPNB-UHFFFAOYSA-N	-2	3	335.349	-0.004	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)c2ccccc2)c1	ZINC000776599129	583407149	/nfs/dbraw/zinc/40/71/49/583407149.db2.gz	FQTOWOBGUFYCQG-RYUDHWBXSA-N	-2	3	325.346	-0.115	20	0		EBADHL
COc1cc(NC(=O)c2c([O-])[nH]c(=O)[n-]c2=O)cc(OC)c1OC	ZINC000778225396	583418911	/nfs/dbraw/zinc/41/89/11/583418911.db2.gz	HLPLZSSAQUGECI-UHFFFAOYSA-N	-2	3	337.288	-0.367	20	0		EBADHL
C[C@@]1(c2ccc(C(=O)OCC(=O)NCC(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000820215003	583768342	/nfs/dbraw/zinc/76/83/42/583768342.db2.gz	QAOTZCIGAIAUQY-HNNXBMFYSA-N	-2	3	349.299	-0.901	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000820542718	583775358	/nfs/dbraw/zinc/77/53/58/583775358.db2.gz	QYZQKUJEYDOQSQ-MWLCHTKSSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000820542718	583775359	/nfs/dbraw/zinc/77/53/59/583775359.db2.gz	QYZQKUJEYDOQSQ-MWLCHTKSSA-N	-2	3	347.331	-0.054	20	0		EBADHL
COC(=O)Nc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1[O-]	ZINC000820672828	583777500	/nfs/dbraw/zinc/77/75/00/583777500.db2.gz	BHUOWANJUJTUTE-UHFFFAOYSA-N	-2	3	326.261	-0.072	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000822645698	583815724	/nfs/dbraw/zinc/81/57/24/583815724.db2.gz	LDNJKVIWZBSUKK-QMMMGPOBSA-N	-2	3	326.338	-0.946	20	0		EBADHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000822645698	583815726	/nfs/dbraw/zinc/81/57/26/583815726.db2.gz	LDNJKVIWZBSUKK-QMMMGPOBSA-N	-2	3	326.338	-0.946	20	0		EBADHL
O=C(CS(=O)(=O)c1ncc[n-]1)NCc1cccc(-c2nnn[n-]2)c1	ZINC000823055887	583823537	/nfs/dbraw/zinc/82/35/37/583823537.db2.gz	YTUMXNQYQZMFFW-UHFFFAOYSA-N	-2	3	347.360	-0.320	20	0		EBADHL
O=C(CS(=O)(=O)c1ncc[n-]1)NCc1cccc(-c2nn[n-]n2)c1	ZINC000823055887	583823539	/nfs/dbraw/zinc/82/35/39/583823539.db2.gz	YTUMXNQYQZMFFW-UHFFFAOYSA-N	-2	3	347.360	-0.320	20	0		EBADHL
O=C(Cn1ccc(=O)[nH]c1=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000823122982	583824236	/nfs/dbraw/zinc/82/42/36/583824236.db2.gz	JUFGDFMFIFEPJP-UHFFFAOYSA-N	-2	3	329.276	-0.527	20	0		EBADHL
O=C(CN1CCC(=O)NC1=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000823530327	583831100	/nfs/dbraw/zinc/83/11/00/583831100.db2.gz	JIRHHSYHHPYHPN-UHFFFAOYSA-N	-2	3	331.292	-0.547	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000824731363	583849658	/nfs/dbraw/zinc/84/96/58/583849658.db2.gz	UZMCPNBZUZXXJW-PSLIRLAXSA-N	-2	3	347.331	-0.006	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000824731363	583849660	/nfs/dbraw/zinc/84/96/60/583849660.db2.gz	UZMCPNBZUZXXJW-PSLIRLAXSA-N	-2	3	347.331	-0.006	20	0		EBADHL
CC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)COC1	ZINC000824782905	583849895	/nfs/dbraw/zinc/84/98/95/583849895.db2.gz	AEYBHVCIZFHQAI-UHFFFAOYSA-N	-2	3	337.361	-0.151	20	0		EBADHL
CC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)COC1	ZINC000824782905	583849896	/nfs/dbraw/zinc/84/98/96/583849896.db2.gz	AEYBHVCIZFHQAI-UHFFFAOYSA-N	-2	3	337.361	-0.151	20	0		EBADHL
C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1	ZINC000825237000	583856776	/nfs/dbraw/zinc/85/67/76/583856776.db2.gz	QYURHVWIBCDLCT-RQJHMYQMSA-N	-2	3	325.325	-0.022	20	0		EBADHL
C[C@H](NC(=O)[O-])[C@H]1CN(Cc2nc3c(cnn3C)c(=O)[n-]2)CCO1	ZINC000825358152	583859319	/nfs/dbraw/zinc/85/93/19/583859319.db2.gz	DPVXFNVKSRQXER-WCBMZHEXSA-N	-2	3	336.352	-0.074	20	0		EBADHL
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826157557	583885416	/nfs/dbraw/zinc/88/54/16/583885416.db2.gz	AFOIZASCECZYBK-UHFFFAOYSA-N	-2	3	341.349	-0.412	20	0		EBADHL
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826157557	583885419	/nfs/dbraw/zinc/88/54/19/583885419.db2.gz	AFOIZASCECZYBK-UHFFFAOYSA-N	-2	3	341.349	-0.412	20	0		EBADHL
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1	ZINC000826461339	583902742	/nfs/dbraw/zinc/90/27/42/583902742.db2.gz	QNRPQVBELYUKJP-JTQLQIEISA-N	-2	3	339.333	-0.659	20	0		EBADHL
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1	ZINC000826461339	583902743	/nfs/dbraw/zinc/90/27/43/583902743.db2.gz	QNRPQVBELYUKJP-JTQLQIEISA-N	-2	3	339.333	-0.659	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826449947	583902834	/nfs/dbraw/zinc/90/28/34/583902834.db2.gz	QEBSLGPECXJCDZ-MRVPVSSYSA-N	-2	3	340.365	-0.177	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826449947	583902836	/nfs/dbraw/zinc/90/28/36/583902836.db2.gz	QEBSLGPECXJCDZ-MRVPVSSYSA-N	-2	3	340.365	-0.177	20	0		EBADHL
O=c1[n-]c(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)n[nH]1	ZINC000826502092	583906326	/nfs/dbraw/zinc/90/63/26/583906326.db2.gz	UNMLHBXBJRWYTQ-UHFFFAOYSA-N	-2	3	328.340	-0.592	20	0		EBADHL
O=c1[n-]c(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)n[nH]1	ZINC000826502092	583906327	/nfs/dbraw/zinc/90/63/27/583906327.db2.gz	UNMLHBXBJRWYTQ-UHFFFAOYSA-N	-2	3	328.340	-0.592	20	0		EBADHL
CN1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H](CNC(=O)[O-])C1	ZINC000828513570	583941512	/nfs/dbraw/zinc/94/15/12/583941512.db2.gz	MFZMBTWVIWHDDC-JTQLQIEISA-N	-2	3	346.343	-0.406	20	0		EBADHL
CN(C)c1nc(C[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cs1	ZINC000830647739	583969020	/nfs/dbraw/zinc/96/90/20/583969020.db2.gz	UURQLTCVEFMFHU-UHFFFAOYSA-N	-2	3	345.406	-0.031	20	0		EBADHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)OC	ZINC000831133647	583976997	/nfs/dbraw/zinc/97/69/97/583976997.db2.gz	HMIBHWJZXULPOV-MRVPVSSYSA-N	-2	3	349.317	-0.331	20	0		EBADHL
O=C([O-])N1CCC(=O)[C@H](OC(=O)CNC(=O)c2ccc([O-])cc2)C1	ZINC000831492376	583983742	/nfs/dbraw/zinc/98/37/42/583983742.db2.gz	BZUIRGCLHZPMFI-GFCCVEGCSA-N	-2	3	336.300	-0.013	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cc(C(=O)[O-])ccn2)c1	ZINC000833057854	584003651	/nfs/dbraw/zinc/00/36/51/584003651.db2.gz	LKDCNUSBKXVWNZ-UHFFFAOYSA-N	-2	3	339.333	-0.570	20	0		EBADHL
O=C([O-])CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CC1	ZINC000833244990	584007536	/nfs/dbraw/zinc/00/75/36/584007536.db2.gz	XCBQGVYBXURLER-UHFFFAOYSA-N	-2	3	346.137	-0.213	20	0		EBADHL
CCS(=O)(=O)NCC[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833665830	584013480	/nfs/dbraw/zinc/01/34/80/584013480.db2.gz	OJOMGWDLWKQGFN-UHFFFAOYSA-N	-2	3	343.408	-0.941	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCCN2C(=O)[O-])cn1C	ZINC000833916416	584019590	/nfs/dbraw/zinc/01/95/90/584019590.db2.gz	RBMINWPZIXSUKO-UHFFFAOYSA-N	-2	3	331.354	-0.866	20	0		EBADHL
O=C([O-])NC[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CCCCC1	ZINC000834208535	584029386	/nfs/dbraw/zinc/02/93/86/584029386.db2.gz	XXSAJXDWEMCSOF-VHSXEESVSA-N	-2	3	326.353	-0.083	20	0		EBADHL
O=C([O-])Nc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)c([O-])c1	ZINC000834255791	584030218	/nfs/dbraw/zinc/03/02/18/584030218.db2.gz	KQLQLWNECADNMB-LLVKDONJSA-N	-2	3	339.348	-0.095	20	0		EBADHL
O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CC1	ZINC000834291429	584030963	/nfs/dbraw/zinc/03/09/63/584030963.db2.gz	YUWMUESCUWBDIL-ZJUUUORDSA-N	-2	3	336.348	-0.471	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O	ZINC000846001817	584119470	/nfs/dbraw/zinc/11/94/70/584119470.db2.gz	IBIUUWKULXYDIR-UHFFFAOYSA-N	-2	3	336.391	-0.564	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000846496509	584127101	/nfs/dbraw/zinc/12/71/01/584127101.db2.gz	BVBLCUIFYPTHND-UHFFFAOYSA-N	-2	3	334.332	-0.324	20	0		EBADHL
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c1F	ZINC000849220250	584166971	/nfs/dbraw/zinc/16/69/71/584166971.db2.gz	BCZGFJCAYLLFEP-ZCFIWIBFSA-N	-2	3	339.272	-0.525	20	0		EBADHL
CNC(=O)Cn1cnc([N-]C(=O)c2csc(CNC(=O)[O-])n2)n1	ZINC000739748138	602813814	/nfs/dbraw/zinc/81/38/14/602813814.db2.gz	ICZQELIJVMYJCB-UHFFFAOYSA-N	-2	3	339.337	-0.500	20	0		EBADHL
CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000055617580	649958389	/nfs/dbraw/zinc/95/83/89/649958389.db2.gz	JRJPOIOPAZSCQX-MRVPVSSYSA-N	-2	3	335.407	-0.310	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000937836835	651940123	/nfs/dbraw/zinc/94/01/23/651940123.db2.gz	PHMRJWFJZNAMJH-QMMMGPOBSA-N	-2	3	332.320	-0.436	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)c3c(C)nc[n-]c3=O)C2)c1[O-]	ZINC000942232903	653062706	/nfs/dbraw/zinc/06/27/06/653062706.db2.gz	QAWPGQCGPXKRPS-SECBINFHSA-N	-2	3	346.347	-0.128	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H](C)C2)c1[O-]	ZINC000947205181	653334353	/nfs/dbraw/zinc/33/43/53/653334353.db2.gz	NGCUBDHGIAJNCE-SCZZXKLOSA-N	-2	3	349.395	-0.372	20	0		EBADHL
CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)c2ccccc2[O-])C1	ZINC000954877132	719945005	/nfs/dbraw/zinc/94/50/05/719945005.db2.gz	NOAINUKVWDNRNO-UHFFFAOYSA-N	-2	3	345.315	-0.415	20	0		EBADHL
C[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1NC(=O)c1cnc[n-]c1=O	ZINC000966892461	724777106	/nfs/dbraw/zinc/77/71/06/724777106.db2.gz	NAMMEEABBRXXRM-SCZZXKLOSA-N	-2	3	333.352	-0.354	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3c(C)nc[n-]c3=O)C2)c1[O-]	ZINC000974026521	725849196	/nfs/dbraw/zinc/84/91/96/725849196.db2.gz	SBURRWSRUNNDPQ-DTORHVGOSA-N	-2	3	346.347	-0.081	20	0		EBADHL
C[C@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC000993476432	725893230	/nfs/dbraw/zinc/89/32/30/725893230.db2.gz	HIMZICSKWWPWSL-WPRPVWTQSA-N	-2	3	333.352	-0.211	20	0		EBADHL
Cc1[nH]nc(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C(C)(C)C2)c1[O-]	ZINC000995679242	726286582	/nfs/dbraw/zinc/28/65/82/726286582.db2.gz	LNQIUGFFNWGCSR-MRVPVSSYSA-N	-2	3	335.368	-0.112	20	0		EBADHL
Cn1[n-]c(CN2CC=C(CNC(=O)c3ncccc3[O-])CC2)nc1=O	ZINC001000609756	726572718	/nfs/dbraw/zinc/57/27/18/726572718.db2.gz	RJNVEHNXPSCXRF-UHFFFAOYSA-N	-2	3	344.375	-0.229	20	0		EBADHL
Cn1[n-]c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncccc2[O-])nc1=O	ZINC001017496934	728581380	/nfs/dbraw/zinc/58/13/80/728581380.db2.gz	AHPJZNLONSOHPD-PHIMTYICSA-N	-2	3	344.375	-0.302	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001023550783	729721757	/nfs/dbraw/zinc/72/17/57/729721757.db2.gz	LWRYNVSHUKJRBI-JTQLQIEISA-N	-2	3	347.379	-0.044	20	0		EBADHL
O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC001031279131	730698613	/nfs/dbraw/zinc/69/86/13/730698613.db2.gz	OKYZFZLJMINCSI-UHFFFAOYSA-N	-2	3	342.315	-0.992	20	0		EBADHL
Cc1n[nH]c(C(=O)NC2(C)CCN(Cc3nc(=O)n(C)[n-]3)CC2)c1[O-]	ZINC001045409903	733688878	/nfs/dbraw/zinc/68/88/78/733688878.db2.gz	WOVDNFUJXLLVDU-UHFFFAOYSA-N	-2	3	349.395	-0.370	20	0		EBADHL
Cn1[n-]c(CN2CCC(C)(NC(=O)c3ncccc3[O-])CC2)nc1=O	ZINC001045415113	733690815	/nfs/dbraw/zinc/69/08/15/733690815.db2.gz	TTZAIDBSCJXLFS-UHFFFAOYSA-N	-2	3	346.391	-0.007	20	0		EBADHL
O=C(c1ncccc1[O-])N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001048780209	734506686	/nfs/dbraw/zinc/50/66/86/734506686.db2.gz	DIFGNYHWVZRRJB-AOOOYVTPSA-N	-2	3	330.348	-0.185	20	0		EBADHL
C[C@H]1CC[C@H](NC(=O)c2cnc[n-]c2=O)CN1Cc1n[nH]c(=O)[n-]1	ZINC001071600517	741175491	/nfs/dbraw/zinc/17/54/91/741175491.db2.gz	LZDPDQHHCPSUJQ-IUCAKERBSA-N	-2	3	333.352	-0.211	20	0		EBADHL
C[C@@H](CCNC(=O)c1n[nH]c(=O)[n-]c1=O)NC(=O)c1ccccc1[O-]	ZINC001077576930	743090994	/nfs/dbraw/zinc/09/09/94/743090994.db2.gz	JFLYJGVZPCQYON-QMMMGPOBSA-N	-2	3	347.331	-0.073	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](CNC(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000979964155	805668798	/nfs/dbraw/zinc/66/87/98/805668798.db2.gz	LGAQOLYFFWUINU-KYZUINATSA-N	-2	3	346.347	-0.142	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CCC2(CN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001035730013	811005292	/nfs/dbraw/zinc/00/52/92/811005292.db2.gz	VKJIBLBEBXTXBE-UHFFFAOYSA-N	-2	3	345.363	-0.256	20	0		EBADHL
CCCc1cnc(=O)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228872704	812000774	/nfs/dbraw/zinc/00/07/74/812000774.db2.gz	BTXYAWWPFXQDIN-APPZFPTMSA-N	-3	3	328.277	-0.424	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1cc2c(cc1[O-])CCC2=O)[C@H](O)C(=O)[O-]	ZINC001228855765	812001094	/nfs/dbraw/zinc/00/10/94/812001094.db2.gz	QGNJPQBFWAYABC-OQPBUACISA-N	-3	3	338.268	-0.037	20	0		EBADHL
COC(=O)[C@H](COC(C)(C)C)NC(=O)NCCP(=O)([O-])[O-]	ZINC001191924287	834572738	/nfs/dbraw/zinc/57/27/38/834572738.db2.gz	WKLSCGGPRAZVQO-QMMMGPOBSA-N	-2	3	326.286	-0.180	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(C(=O)NCS(=O)(=O)[O-])cc1F	ZINC001194992122	835173068	/nfs/dbraw/zinc/17/30/68/835173068.db2.gz	VSBLIPVYIZWIEO-UHFFFAOYSA-N	-2	3	326.327	-0.228	20	0		EBADHL
Cn1nnc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1	ZINC001570941868	949253313	/nfs/dbraw/zinc/25/33/13/949253313.db2.gz	ATEIOCITRAILGS-UHFFFAOYSA-N	-2	3	343.279	-0.531	20	0		EBADHL
Cn1nnc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1	ZINC001570941868	949253333	/nfs/dbraw/zinc/25/33/33/949253333.db2.gz	ATEIOCITRAILGS-UHFFFAOYSA-N	-2	3	343.279	-0.531	20	0		EBADHL
O=c1nc(CNS(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)[n-]o1	ZINC001570942138	949266222	/nfs/dbraw/zinc/26/62/22/949266222.db2.gz	LBGSBUUGCGBYON-UHFFFAOYSA-N	-2	3	341.284	-0.839	20	0		EBADHL
O=c1nc(CNS(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)[n-]o1	ZINC001570942138	949266235	/nfs/dbraw/zinc/26/62/35/949266235.db2.gz	LBGSBUUGCGBYON-UHFFFAOYSA-N	-2	3	341.284	-0.839	20	0		EBADHL
C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001574976335	950067811	/nfs/dbraw/zinc/06/78/11/950067811.db2.gz	QNWVJXAZURBXGJ-SSDOTTSWSA-N	-2	3	346.355	-0.731	20	0		EBADHL
O=C([O-])C1(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)CCOCC1	ZINC001574562501	962019315	/nfs/dbraw/zinc/01/93/15/962019315.db2.gz	LHTWTRSFWPWMEF-UHFFFAOYSA-N	-2	3	332.320	-0.127	20	0		EBADHL
O=C([O-])C1(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)CCOCC1	ZINC001574562501	962019336	/nfs/dbraw/zinc/01/93/36/962019336.db2.gz	LHTWTRSFWPWMEF-UHFFFAOYSA-N	-2	3	332.320	-0.127	20	0		EBADHL
CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001571191957	962269231	/nfs/dbraw/zinc/26/92/31/962269231.db2.gz	XJCIOJZQBUERDX-YUMQZZPRSA-N	-2	3	330.366	-0.391	20	0		EBADHL
C[C@](O)(C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-]	ZINC001609972130	970620152	/nfs/dbraw/zinc/62/01/52/970620152.db2.gz	BVKGEHRPHINMHC-NSHDSACASA-N	-2	3	334.281	-0.626	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3cc(C(=O)[O-])nn3C)C2)n1	ZINC001600064268	970752861	/nfs/dbraw/zinc/75/28/61/970752861.db2.gz	ITZGRVDRBADSSQ-SECBINFHSA-N	-2	3	346.347	-0.069	20	0		EBADHL
COC(=O)CCN(CC(=O)[O-])C(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC001604303432	972946714	/nfs/dbraw/zinc/94/67/14/972946714.db2.gz	NCDQZNKJQHZJLV-UHFFFAOYSA-N	-2	3	325.321	-0.182	20	0		EBADHL
COC(=O)CC[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-]	ZINC001604320495	972994434	/nfs/dbraw/zinc/99/44/34/972994434.db2.gz	FDNHJRFCIXVZQF-JTQLQIEISA-N	-2	3	325.321	-0.136	20	0		EBADHL
C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1	ZINC001592415985	978016667	/nfs/dbraw/zinc/01/66/67/978016667.db2.gz	WRDKSWYPJHEGOT-JTQLQIEISA-N	-2	3	345.363	-0.117	20	0		EBADHL
C[C@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001592616637	978580697	/nfs/dbraw/zinc/58/06/97/978580697.db2.gz	XJQGSTRZKUQODB-SNVBAGLBSA-N	-2	3	331.394	-0.108	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-]C2(C(=O)[O-])CC(CO)C2)s1	ZINC001589225089	985752573	/nfs/dbraw/zinc/75/25/73/985752573.db2.gz	QEOATGWBOWLCSV-UHFFFAOYSA-N	-2	3	349.390	-0.395	20	0		EBADHL
CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001597225343	987174024	/nfs/dbraw/zinc/17/40/24/987174024.db2.gz	QHXLVPJCHGFIDX-UHFFFAOYSA-N	-2	3	340.379	-0.415	20	0		EBADHL
CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC001598633968	994217144	/nfs/dbraw/zinc/21/71/44/994217144.db2.gz	HHKZDMQQXMLKBQ-LURJTMIESA-N	-2	3	338.288	-0.952	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1(S(C)(=O)=O)CC1	ZINC001593325633	994866290	/nfs/dbraw/zinc/86/62/90/994866290.db2.gz	JUTOMDJRGAEQQX-LURJTMIESA-N	-2	3	337.379	-0.648	20	0		EBADHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC	ZINC001598841046	996525678	/nfs/dbraw/zinc/52/56/78/996525678.db2.gz	WQDOMMABUSCWNB-SSDOTTSWSA-N	-2	3	335.290	-0.639	20	0		EBADHL
Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001409567256	1126377700	/nfs/dbraw/zinc/37/77/00/1126377700.db2.gz	MAEUWIMUGSARCI-VIFPVBQESA-N	-2	3	349.395	-0.116	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1cc(=O)[n-]c(C2CC2)n1	ZINC001412594502	1129570705	/nfs/dbraw/zinc/57/07/05/1129570705.db2.gz	KVTNOUKDJBDMEU-UHFFFAOYSA-N	-2	3	341.331	-0.239	20	0		EBADHL
Cn1nnc(Br)c1C(=O)NCc1nc([O-])cc(=O)[n-]1	ZINC001413348585	1130035330	/nfs/dbraw/zinc/03/53/30/1130035330.db2.gz	XPGMBEHNEXAPLU-UHFFFAOYSA-N	-2	3	329.114	-0.291	20	0		EBADHL
Cc1nc2c(c(=O)[n-]1)CN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2	ZINC001364262339	1132255519	/nfs/dbraw/zinc/25/55/19/1132255519.db2.gz	MNPJFMCFEDOYLI-UHFFFAOYSA-N	-2	3	327.304	-0.582	20	0		EBADHL
O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000090263035	376433875	/nfs/dbraw/zinc/43/38/75/376433875.db2.gz	IVCLYRTXYRXBFF-ZETCQYMHSA-N	-2	3	325.140	-0.432	20	0		EBADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1	ZINC000374442750	376449151	/nfs/dbraw/zinc/44/91/51/376449151.db2.gz	LKOBJFKDNOFZQA-GFCCVEGCSA-N	-2	3	349.386	-0.388	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O	ZINC000560481394	376709425	/nfs/dbraw/zinc/70/94/25/376709425.db2.gz	ZJLFZJFOCPXYEI-QUBYGPBYSA-N	-2	3	335.334	-0.259	20	0		EBADHL
COc1ccc(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])c(F)c1	ZINC000569758383	377159791	/nfs/dbraw/zinc/15/97/91/377159791.db2.gz	HVFBDNPYSUCRQV-SECBINFHSA-N	-2	3	334.325	-0.169	20	0		EBADHL
COCc1n[nH]c(CNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n1	ZINC000617937557	379125495	/nfs/dbraw/zinc/12/54/95/379125495.db2.gz	VGPSHQVJVLQOGS-UHFFFAOYSA-N	-2	3	345.319	-0.061	20	0		EBADHL
COCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000262258000	379233569	/nfs/dbraw/zinc/23/35/69/379233569.db2.gz	DEZPDYHDNNZVCB-MRVPVSSYSA-N	-2	3	336.391	-0.368	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2cnc[nH]2)C(=O)[O-])o1	ZINC000274912762	379723604	/nfs/dbraw/zinc/72/36/04/379723604.db2.gz	LARBKQAMRVPWOQ-QMMMGPOBSA-N	-2	3	343.317	-0.237	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O	ZINC000274974389	379728616	/nfs/dbraw/zinc/72/86/16/379728616.db2.gz	WRRKZFJBFSFZOH-LDWIPMOCSA-N	-2	3	335.309	-0.275	20	0		EBADHL
COc1ccsc1S(=O)(=O)[N-]CCN1C[C@H](C(=O)[O-])CC1=O	ZINC000275024968	379732053	/nfs/dbraw/zinc/73/20/53/379732053.db2.gz	SKKNFMVEQPIGDW-MRVPVSSYSA-N	-2	3	348.402	-0.032	20	0		EBADHL
CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])c1	ZINC000275117837	379737624	/nfs/dbraw/zinc/73/76/24/379737624.db2.gz	SSTXCNHZVALNAV-VIFPVBQESA-N	-2	3	332.382	-0.464	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-][C@H](Cc2cnn(C)c2)C(=O)[O-])cn1C	ZINC000275210116	379743138	/nfs/dbraw/zinc/74/31/38/379743138.db2.gz	HNGSNMLXVWXJAJ-SNVBAGLBSA-N	-2	3	327.366	-0.564	20	0		EBADHL
O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1	ZINC000276616140	379851371	/nfs/dbraw/zinc/85/13/71/379851371.db2.gz	TZIYSJAKVKDHAJ-NSHDSACASA-N	-2	3	325.350	-0.124	20	0		EBADHL
CC(C)Cn1cnc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)c1	ZINC000277311287	379882281	/nfs/dbraw/zinc/88/22/81/379882281.db2.gz	LPTXBBVQRQDPSF-UHFFFAOYSA-N	-2	3	342.381	-0.193	20	0		EBADHL
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCc1nc(=O)o[n-]1	ZINC000280108649	379971205	/nfs/dbraw/zinc/97/12/05/379971205.db2.gz	NCQXNMUSCJSSRC-UHFFFAOYSA-N	-2	3	345.315	-0.885	20	0		EBADHL
CC(=O)Nc1ccc([O-])c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1	ZINC000281996760	380053139	/nfs/dbraw/zinc/05/31/39/380053139.db2.gz	HKDNZKOWCKYQFA-UHFFFAOYSA-N	-2	3	343.361	-0.454	20	0		EBADHL
O=C(NCCCc1cc(=O)[nH][n-]1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000614921739	380053752	/nfs/dbraw/zinc/05/37/52/380053752.db2.gz	JZAKUFHTSVFXNG-UHFFFAOYSA-N	-2	3	330.304	-0.178	20	0		EBADHL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(F)cc2nn[n-]c21	ZINC000282253757	380066178	/nfs/dbraw/zinc/06/61/78/380066178.db2.gz	ONRZAPCHFYOWHM-UHFFFAOYSA-N	-2	3	329.313	-0.707	20	0		EBADHL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(F)cc2[n-]nnc21	ZINC000282253757	380066182	/nfs/dbraw/zinc/06/61/82/380066182.db2.gz	ONRZAPCHFYOWHM-UHFFFAOYSA-N	-2	3	329.313	-0.707	20	0		EBADHL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(F)cc2n[n-]nc21	ZINC000282253757	380066187	/nfs/dbraw/zinc/06/61/87/380066187.db2.gz	ONRZAPCHFYOWHM-UHFFFAOYSA-N	-2	3	329.313	-0.707	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O	ZINC000547878127	380168642	/nfs/dbraw/zinc/16/86/42/380168642.db2.gz	ZJLFZJFOCPXYEI-LDWIPMOCSA-N	-2	3	335.334	-0.259	20	0		EBADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCOCC(=O)[O-]	ZINC000547938169	380173399	/nfs/dbraw/zinc/17/33/99/380173399.db2.gz	XNHIDXNHWULWKS-UHFFFAOYSA-N	-2	3	337.375	-0.530	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-]	ZINC000548227823	380192337	/nfs/dbraw/zinc/19/23/37/380192337.db2.gz	XKBKWDPETDTPSX-QMMMGPOBSA-N	-2	3	337.375	-0.532	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C(=O)[O-]	ZINC000548218759	380192632	/nfs/dbraw/zinc/19/26/32/380192632.db2.gz	DBQCCZLLEUVLGJ-VIFPVBQESA-N	-2	3	335.309	-0.010	20	0		EBADHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-]	ZINC000566899625	380494252	/nfs/dbraw/zinc/49/42/52/380494252.db2.gz	SCXBLHQKIDSYAH-MRVPVSSYSA-N	-2	3	333.366	-0.162	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)Cc2ccccc2)c1	ZINC000574633604	380718792	/nfs/dbraw/zinc/71/87/92/380718792.db2.gz	YGOOEUPGIHSJJI-DGCLKSJQSA-N	-2	3	339.373	-0.245	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)C1=O	ZINC000417449570	380901879	/nfs/dbraw/zinc/90/18/79/380901879.db2.gz	YECQPURZGRXBOJ-NNYUYHANSA-N	-2	3	348.421	-0.207	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)c(F)c1	ZINC000578966148	380959696	/nfs/dbraw/zinc/95/96/96/380959696.db2.gz	QFBJQARVQVKZBC-WKEGUHRASA-N	-2	3	335.309	-0.275	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])c1	ZINC000582581468	381049839	/nfs/dbraw/zinc/04/98/39/381049839.db2.gz	XRUPAMNWUDRMDA-SNVBAGLBSA-N	-2	3	327.366	-0.625	20	0		EBADHL
Cc1ncsc1[C@@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C(=O)[O-]	ZINC000583756618	381136037	/nfs/dbraw/zinc/13/60/37/381136037.db2.gz	KLKMRURLPMZACV-HTQZYQBOSA-N	-2	3	335.407	-0.027	20	0		EBADHL
O=C1[N-]C(=O)[C@H](Cc2ccc([N-]S(=O)(=O)c3cn[nH]c3)cc2)N1	ZINC000354204676	382217826	/nfs/dbraw/zinc/21/78/26/382217826.db2.gz	DKUGSWAQANFPHQ-NSHDSACASA-N	-2	3	335.345	-0.039	20	0		EBADHL
O=C1[N-]C(=O)[C@@H](Cc2ccc([N-]S(=O)(=O)c3cn[nH]c3)cc2)N1	ZINC000354204671	382217888	/nfs/dbraw/zinc/21/78/88/382217888.db2.gz	DKUGSWAQANFPHQ-LLVKDONJSA-N	-2	3	335.345	-0.039	20	0		EBADHL
COCC[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000262322855	154225270	/nfs/dbraw/zinc/22/52/70/154225270.db2.gz	SGMGILQRAMOVDS-ZBEGNZNMSA-N	-2	3	349.343	-0.039	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(COC)C(=O)[O-])c(C)o1	ZINC000263014858	154252975	/nfs/dbraw/zinc/25/29/75/154252975.db2.gz	XFEJHZAHLQBWGS-GFCCVEGCSA-N	-2	3	334.350	-0.284	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N(CCOC)CC(=O)[O-])c(C)o1	ZINC000263154367	154254819	/nfs/dbraw/zinc/25/48/19/154254819.db2.gz	XMWZKCNNJMYQQN-UHFFFAOYSA-N	-2	3	334.350	-0.331	20	0		EBADHL
C[C@@H](C(=O)[O-])N(C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C1CC1	ZINC000263565902	154258965	/nfs/dbraw/zinc/25/89/65/154258965.db2.gz	WAIDAYJLMCETPB-QMMMGPOBSA-N	-2	3	330.366	-0.838	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-]	ZINC000263507657	154259339	/nfs/dbraw/zinc/25/93/39/154259339.db2.gz	WFXHTUFSLSAMLN-GFCCVEGCSA-N	-2	3	335.334	-0.258	20	0		EBADHL
COC(=O)CCS(=O)(=O)[N-]c1cc2c(cc1[O-])n(C)c(=O)n2C	ZINC000290605494	155005534	/nfs/dbraw/zinc/00/55/34/155005534.db2.gz	ZPZHCNICHBXXNZ-UHFFFAOYSA-N	-2	3	343.361	-0.113	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1cccs1)NC1(c2nnn[n-]2)CC1	ZINC000356051815	157041850	/nfs/dbraw/zinc/04/18/50/157041850.db2.gz	KYSTVXZJPOXDOC-UHFFFAOYSA-N	-2	3	328.379	-0.655	20	0		EBADHL
Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000530817491	418973488	/nfs/dbraw/zinc/97/34/88/418973488.db2.gz	BVJHAISFDHDSST-MRVPVSSYSA-N	-3	3	344.331	-0.014	20	0		EBADHL
Cc1[nH][nH]c(=O)c1CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000530817491	418973493	/nfs/dbraw/zinc/97/34/93/418973493.db2.gz	BVJHAISFDHDSST-MRVPVSSYSA-N	-2	3	344.331	-0.014	20	0		EBADHL
COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC	ZINC000530435497	418941025	/nfs/dbraw/zinc/94/10/25/418941025.db2.gz	LDDDJGQWSJYBEE-LURJTMIESA-N	-2	3	338.363	-0.302	20	0		EBADHL
COCCN(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1ccccc1F	ZINC000647727171	419242362	/nfs/dbraw/zinc/24/23/62/419242362.db2.gz	OLQXDTGAJDAHFN-UHFFFAOYSA-N	-2	3	348.352	-0.336	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NC2(C(=O)[O-])CCCC2)cn1C	ZINC000532668861	419622874	/nfs/dbraw/zinc/62/28/74/419622874.db2.gz	IAHBHARKALYPHD-UHFFFAOYSA-N	-2	3	344.393	-0.480	20	0		EBADHL
O=C([O-])[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000515671572	419985331	/nfs/dbraw/zinc/98/53/31/419985331.db2.gz	NRXFCHQXZXSGII-ZCFIWIBFSA-N	-2	3	325.140	-0.432	20	0		EBADHL
COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1	ZINC000495872652	420612204	/nfs/dbraw/zinc/61/22/04/420612204.db2.gz	IAJREDQTLNUKRL-UHFFFAOYSA-N	-2	3	327.322	-0.539	20	0		EBADHL
Cc1onc(N)c1S(=O)(=O)[N-][C@@H](CN1CCCCC1)C(=O)[O-]	ZINC000576231628	420661301	/nfs/dbraw/zinc/66/13/01/420661301.db2.gz	NWODZRAPULIJMU-VIFPVBQESA-N	-2	3	332.382	-0.217	20	0		EBADHL
C[C@H](CNC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O)C(=O)[O-]	ZINC000655882233	420857999	/nfs/dbraw/zinc/85/79/99/420857999.db2.gz	VCFUHQFENVGGAP-ITMYJUKJSA-N	-2	3	326.353	-0.131	20	0		EBADHL
CCc1nc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])cn1CC1CC1	ZINC000663285027	421128162	/nfs/dbraw/zinc/12/81/62/421128162.db2.gz	BSZCKVBXULXEHN-VIFPVBQESA-N	-2	3	344.393	-0.538	20	0		EBADHL
COc1ccc([O-])c(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1	ZINC000424240352	265053371	/nfs/dbraw/zinc/05/33/71/265053371.db2.gz	KMGOKWLGURSVHT-LLVKDONJSA-N	-2	3	329.330	-0.275	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H](C)CC(=O)[O-])cn1C	ZINC000427731266	265109258	/nfs/dbraw/zinc/10/92/58/265109258.db2.gz	MSMTURWYPQAJQD-QMMMGPOBSA-N	-2	3	332.382	-0.624	20	0		EBADHL
CC(C)c1nc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)c[nH]1	ZINC000681579538	546307704	/nfs/dbraw/zinc/30/77/04/546307704.db2.gz	BZYIIXWYDNUAAA-SECBINFHSA-N	-2	3	344.393	-0.256	20	0		EBADHL
Cc1cc([N-]C(=O)[C@@H](C)OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)on1	ZINC000730659518	582831219	/nfs/dbraw/zinc/83/12/19/582831219.db2.gz	WXTZRNFJNGXBLF-MRVPVSSYSA-N	-2	3	346.303	-0.062	20	0		EBADHL
COc1cc[n-]c(=NNS(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n1	ZINC000731596805	582837993	/nfs/dbraw/zinc/83/79/93/582837993.db2.gz	XRRGXQCYMOANBK-UHFFFAOYSA-N	-2	3	349.328	-0.326	20	0		EBADHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC	ZINC000737591001	583018378	/nfs/dbraw/zinc/01/83/78/583018378.db2.gz	JUVAEHYUXLNZMJ-ZCFIWIBFSA-N	-2	3	335.290	-0.639	20	0		EBADHL
COc1ccc([C@@H](CC(=O)[O-])NC(=O)CN2CC(=O)[N-]C2=O)cc1	ZINC000737952590	583035101	/nfs/dbraw/zinc/03/51/01/583035101.db2.gz	LSKVSDVOGDMTHM-LLVKDONJSA-N	-2	3	335.316	-0.121	20	0		EBADHL
CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1	ZINC000838915066	583058698	/nfs/dbraw/zinc/05/86/98/583058698.db2.gz	SSFZSSOSPDANBB-LBPRGKRZSA-N	-2	3	339.377	-0.517	20	0		EBADHL
NC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)[O-]	ZINC000748674568	583122369	/nfs/dbraw/zinc/12/23/69/583122369.db2.gz	SXZLNXKWVCELQS-ZETCQYMHSA-N	-3	3	334.281	-0.869	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)OCc2nc(=O)n(C)[n-]2)c(C)o1	ZINC000765493117	583283380	/nfs/dbraw/zinc/28/33/80/583283380.db2.gz	SYPUFNBLIYRUKP-UHFFFAOYSA-N	-2	3	330.322	-0.725	20	0		EBADHL
O=C(CC[C@@H]1NC(=O)[N-]C1=O)OCCC[N-]C(=O)C(F)(F)F	ZINC000774899630	583392013	/nfs/dbraw/zinc/39/20/13/583392013.db2.gz	AHTKSHRKUMKDEI-LURJTMIESA-N	-2	3	325.243	-0.414	20	0		EBADHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc2nonc21)[C@H]1CCOC1	ZINC000776502582	583405295	/nfs/dbraw/zinc/40/52/95/583405295.db2.gz	HECHPMPSYSVJLT-XVKPBYJWSA-N	-2	3	327.318	-0.009	20	0		EBADHL
CCOC(=O)c1ncc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[n-]1	ZINC000793957420	583573477	/nfs/dbraw/zinc/57/34/77/583573477.db2.gz	BRCSQLZBHZNHAY-UHFFFAOYSA-N	-2	3	331.292	-0.390	20	0		EBADHL
CCOC(=O)c1nc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c[n-]1	ZINC000793957420	583573478	/nfs/dbraw/zinc/57/34/78/583573478.db2.gz	BRCSQLZBHZNHAY-UHFFFAOYSA-N	-2	3	331.292	-0.390	20	0		EBADHL
CS(=O)(=O)CCS(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F	ZINC000794768438	583585487	/nfs/dbraw/zinc/58/54/87/583585487.db2.gz	UYQZJILYEJQPPS-LURJTMIESA-N	-2	3	341.329	-0.396	20	0		EBADHL
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)o1	ZINC000816733026	583720684	/nfs/dbraw/zinc/72/06/84/583720684.db2.gz	GMBIFSMEVPNLJZ-UHFFFAOYSA-N	-3	3	345.337	-0.257	20	0		EBADHL
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC000819908627	583763174	/nfs/dbraw/zinc/76/31/74/583763174.db2.gz	JBFDFNCBRPJPMT-SNVBAGLBSA-N	-2	3	348.381	-0.630	20	0		EBADHL
CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NN1CC(=O)[N-]C1=O	ZINC000820001488	583764700	/nfs/dbraw/zinc/76/47/00/583764700.db2.gz	OTHYHDBVBCFOGN-UHFFFAOYSA-N	-2	3	345.319	-0.393	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCCN2CC(=O)[O-])co1	ZINC000820641027	583776783	/nfs/dbraw/zinc/77/67/83/583776783.db2.gz	JJTWBLRTCBGBJP-SNVBAGLBSA-N	-2	3	346.361	-0.107	20	0		EBADHL
Cc1nn(C)c(C)c1-c1cc(C(=O)OCC(=O)NCC(=O)[O-])n[n-]1	ZINC000821202136	583786598	/nfs/dbraw/zinc/78/65/98/583786598.db2.gz	DBKCNFYWMCHDNS-UHFFFAOYSA-N	-2	3	335.320	-0.215	20	0		EBADHL
CN(C)C(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821575430	583793379	/nfs/dbraw/zinc/79/33/79/583793379.db2.gz	BPUGSCHNTVCPDW-UHFFFAOYSA-N	-2	3	346.319	-0.489	20	0		EBADHL
CN(C)C(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821575430	583793382	/nfs/dbraw/zinc/79/33/82/583793382.db2.gz	BPUGSCHNTVCPDW-UHFFFAOYSA-N	-2	3	346.319	-0.489	20	0		EBADHL
CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000821608326	583795300	/nfs/dbraw/zinc/79/53/00/583795300.db2.gz	BXESUOIIWJFDOR-UHFFFAOYSA-N	-2	3	341.331	-0.062	20	0		EBADHL
CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000821608326	583795302	/nfs/dbraw/zinc/79/53/02/583795302.db2.gz	BXESUOIIWJFDOR-UHFFFAOYSA-N	-2	3	341.331	-0.062	20	0		EBADHL
COC(=O)c1cc(-c2nnn[n-]2)c(=O)n(Cc2nc(C)cc(=O)[n-]2)c1	ZINC000821666719	583800523	/nfs/dbraw/zinc/80/05/23/583800523.db2.gz	BAHXBIMCMDQHIY-UHFFFAOYSA-N	-2	3	343.303	-0.333	20	0		EBADHL
COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(C)cc(=O)[n-]2)c1	ZINC000821666719	583800526	/nfs/dbraw/zinc/80/05/26/583800526.db2.gz	BAHXBIMCMDQHIY-UHFFFAOYSA-N	-2	3	343.303	-0.333	20	0		EBADHL
C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C(=O)O1	ZINC000824894301	583851884	/nfs/dbraw/zinc/85/18/84/583851884.db2.gz	XQZOKJGWIOSXLZ-LDYMZIIASA-N	-2	3	337.361	-0.010	20	0		EBADHL
NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1	ZINC000826395257	583898556	/nfs/dbraw/zinc/89/85/56/583898556.db2.gz	UGDIFWKEVCPLBA-UHFFFAOYSA-N	-2	3	349.332	-0.200	20	0		EBADHL
NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1	ZINC000826395257	583898557	/nfs/dbraw/zinc/89/85/57/583898557.db2.gz	UGDIFWKEVCPLBA-UHFFFAOYSA-N	-2	3	349.332	-0.200	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826449878	583902726	/nfs/dbraw/zinc/90/27/26/583902726.db2.gz	NFHBSBJDIAEODS-ZETCQYMHSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826449878	583902728	/nfs/dbraw/zinc/90/27/28/583902728.db2.gz	NFHBSBJDIAEODS-ZETCQYMHSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1	ZINC000826461137	583902892	/nfs/dbraw/zinc/90/28/92/583902892.db2.gz	HPRXUUFEBARBKY-JTQLQIEISA-N	-2	3	339.333	-0.659	20	0		EBADHL
O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1	ZINC000826461137	583902895	/nfs/dbraw/zinc/90/28/95/583902895.db2.gz	HPRXUUFEBARBKY-JTQLQIEISA-N	-2	3	339.333	-0.659	20	0		EBADHL
O=C(c1n[nH]c(=O)[n-]1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000826475026	583903572	/nfs/dbraw/zinc/90/35/72/583903572.db2.gz	PLEFNLRBVYPZAL-JTQLQIEISA-N	-2	3	342.319	-0.096	20	0		EBADHL
O=C(c1n[nH]c(=O)[n-]1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826475026	583903574	/nfs/dbraw/zinc/90/35/74/583903574.db2.gz	PLEFNLRBVYPZAL-JTQLQIEISA-N	-2	3	342.319	-0.096	20	0		EBADHL
CC(C)N(CCC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000826940822	583912560	/nfs/dbraw/zinc/91/25/60/583912560.db2.gz	YHLBBJKEEGIDRW-UHFFFAOYSA-N	-2	3	332.382	-0.590	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000827349314	583919389	/nfs/dbraw/zinc/91/93/89/583919389.db2.gz	ISQHIQORPOBYTL-MRVPVSSYSA-N	-2	3	346.365	-0.041	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000827349314	583919391	/nfs/dbraw/zinc/91/93/91/583919391.db2.gz	ISQHIQORPOBYTL-MRVPVSSYSA-N	-2	3	346.365	-0.041	20	0		EBADHL
C[C@H](CS(=O)(=O)[N-][C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-]	ZINC000827550627	583923353	/nfs/dbraw/zinc/92/33/53/583923353.db2.gz	BQHBIYLXUOWYDI-SCZZXKLOSA-N	-2	3	330.366	-0.835	20	0		EBADHL
C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)NCC(=O)[O-]	ZINC000827811846	583928163	/nfs/dbraw/zinc/92/81/63/583928163.db2.gz	XEBQQVVZYIKSLK-APPZFPTMSA-N	-2	3	338.382	-0.917	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])n1	ZINC000828699728	583945661	/nfs/dbraw/zinc/94/56/61/583945661.db2.gz	KCYBDWHRTGEMEN-MUWHJKNJSA-N	-2	3	341.324	-0.038	20	0		EBADHL
COC(=O)Cc1nnc(NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])[n-]1	ZINC000828699728	583945662	/nfs/dbraw/zinc/94/56/62/583945662.db2.gz	KCYBDWHRTGEMEN-MUWHJKNJSA-N	-2	3	341.324	-0.038	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])n[n-]1	ZINC000828699728	583945663	/nfs/dbraw/zinc/94/56/63/583945663.db2.gz	KCYBDWHRTGEMEN-MUWHJKNJSA-N	-2	3	341.324	-0.038	20	0		EBADHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000831139366	583977206	/nfs/dbraw/zinc/97/72/06/583977206.db2.gz	XVXNEGQHRJCMON-SSDOTTSWSA-N	-2	3	329.290	-0.483	20	0		EBADHL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCS(C)(=O)=O	ZINC000831939358	583993720	/nfs/dbraw/zinc/99/37/20/583993720.db2.gz	JOASWFPPNQDOFN-UHFFFAOYSA-N	-2	3	343.404	-0.222	20	0		EBADHL
Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C2=O)n(C)n1	ZINC000832890783	584002363	/nfs/dbraw/zinc/00/23/63/584002363.db2.gz	WSQZUDHORWNXST-PSASIEDQSA-N	-2	3	344.393	-0.526	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@](F)(C(=O)[O-])C2)cn1C	ZINC000833002896	584002923	/nfs/dbraw/zinc/00/29/23/584002923.db2.gz	IKTXGZODGVSKJE-GFCCVEGCSA-N	-2	3	348.356	-0.968	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](CC(=O)[O-])C2CC2)cn1C	ZINC000833003292	584002940	/nfs/dbraw/zinc/00/29/40/584002940.db2.gz	OCMVFUUZGWJSTN-SNVBAGLBSA-N	-2	3	344.393	-0.624	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)cn1C	ZINC000833003397	584002943	/nfs/dbraw/zinc/00/29/43/584002943.db2.gz	QZHDZJGLDMPQRJ-WCBMZHEXSA-N	-2	3	344.393	-0.814	20	0		EBADHL
Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])C2=O)cn1	ZINC000833047630	584003478	/nfs/dbraw/zinc/00/34/78/584003478.db2.gz	WQPGHLJQQJFACI-LLVKDONJSA-N	-2	3	344.393	-0.300	20	0		EBADHL
CC(C)C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccn1)C(=O)[O-]	ZINC000833492141	584010993	/nfs/dbraw/zinc/01/09/93/584010993.db2.gz	JGGHJWVMYDJGPA-JTQLQIEISA-N	-2	3	329.378	-0.025	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-]CC2(CO)COC2)cc(F)c1F	ZINC000833779813	584016263	/nfs/dbraw/zinc/01/62/63/584016263.db2.gz	JVDKGADLVGWGRA-UHFFFAOYSA-N	-2	3	337.300	-0.050	20	0		EBADHL
O=C([O-])N1CC(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1	ZINC000834040370	584025051	/nfs/dbraw/zinc/02/50/51/584025051.db2.gz	CJCMAGHMMNIBAP-UHFFFAOYSA-N	-2	3	333.391	-0.248	20	0		EBADHL
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000834042696	584025331	/nfs/dbraw/zinc/02/53/31/584025331.db2.gz	XMZVXBUPLPRLNC-NWDGAFQWSA-N	-2	3	337.332	-0.649	20	0		EBADHL
O=C([O-])N[C@H](C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccccc1	ZINC000834251629	584030082	/nfs/dbraw/zinc/03/00/82/584030082.db2.gz	IKEVQHGMIWTCMP-MNOVXSKESA-N	-2	3	332.316	-0.242	20	0		EBADHL
O=C([O-])[C@H]1CC(=O)N(CC[N-]S(=O)(=O)c2c[nH]nc2Cl)C1	ZINC000837290051	584047727	/nfs/dbraw/zinc/04/77/27/584047727.db2.gz	MSKFHWOVFGKCLR-LURJTMIESA-N	-2	3	336.757	-0.726	20	0		EBADHL
Cn1[n-]nnc1=NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1	ZINC000853975340	584233517	/nfs/dbraw/zinc/23/35/17/584233517.db2.gz	MKHNEHKTDLHDQT-UHFFFAOYSA-N	-2	3	336.356	-0.236	20	0		EBADHL
O=C([N-]n1c(=O)[n-][nH]c1=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F	ZINC000854612747	584244616	/nfs/dbraw/zinc/24/46/16/584244616.db2.gz	PWLUTPVASOVFNJ-PHDIDXHHSA-N	-2	3	326.231	-0.257	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)[N-]O[C@H](CO)C(C)C)cn1C	ZINC000857287701	584276850	/nfs/dbraw/zinc/27/68/50/584276850.db2.gz	SAGSXSQSNADLER-SNVBAGLBSA-N	-2	3	334.398	-0.928	20	0		EBADHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCN2C(=O)CSC2=O)o1	ZINC000740176914	599772556	/nfs/dbraw/zinc/77/25/56/599772556.db2.gz	ZSMCOUIMIBUQHT-UHFFFAOYSA-N	-2	3	334.331	-0.049	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1	ZINC000737014484	598740067	/nfs/dbraw/zinc/74/00/67/598740067.db2.gz	QLBKWVZCIAIMKK-SREVYHEPSA-N	-2	3	337.361	-0.028	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1	ZINC000737014484	598740068	/nfs/dbraw/zinc/74/00/68/598740068.db2.gz	QLBKWVZCIAIMKK-SREVYHEPSA-N	-2	3	337.361	-0.028	20	0		EBADHL
O=C([O-])[C@@H]1C[C@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000739296145	600161103	/nfs/dbraw/zinc/16/11/03/600161103.db2.gz	CSKIJYIQWLTVFB-HTQZYQBOSA-N	-2	3	346.299	-0.184	20	0		EBADHL
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1nnc2ccccc2c1[O-]	ZINC000739633849	600484000	/nfs/dbraw/zinc/48/40/00/600484000.db2.gz	IRMOVPMBPKZIPI-JTQLQIEISA-N	-2	3	330.300	-0.249	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])n1	ZINC000739768847	602910865	/nfs/dbraw/zinc/91/08/65/602910865.db2.gz	UAAAEOLAWYASHZ-QMMMGPOBSA-N	-2	3	341.324	-0.382	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])n[n-]1	ZINC000739768847	602910868	/nfs/dbraw/zinc/91/08/68/602910868.db2.gz	UAAAEOLAWYASHZ-QMMMGPOBSA-N	-2	3	341.324	-0.382	20	0		EBADHL
O=C([O-])N1CCN(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)C(=O)C1	ZINC000740371033	603020014	/nfs/dbraw/zinc/02/00/14/603020014.db2.gz	JNSBPEAYVUBUJF-UHFFFAOYSA-N	-2	3	336.230	-0.416	20	0		EBADHL
O=C([O-])N1CCN(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)C(=O)C1	ZINC000740371033	603020018	/nfs/dbraw/zinc/02/00/18/603020018.db2.gz	JNSBPEAYVUBUJF-UHFFFAOYSA-N	-2	3	336.230	-0.416	20	0		EBADHL
CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000710599120	605193720	/nfs/dbraw/zinc/19/37/20/605193720.db2.gz	FSZHVMBMZIKHPA-UHFFFAOYSA-N	-2	3	326.352	-0.805	20	0		EBADHL
Cc1cccc(S(=O)(=O)[N-][N-]C(=O)N[C@@H]2CCS(=O)(=O)C2)c1	ZINC000057124922	649960008	/nfs/dbraw/zinc/96/00/08/649960008.db2.gz	ARRREBPHXRDAAG-SNVBAGLBSA-N	-2	3	347.418	-0.325	20	0		EBADHL
O=C([N-][N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)NCC1CC1	ZINC000068216323	649965401	/nfs/dbraw/zinc/96/54/01/649965401.db2.gz	DJCJXWTWBLBROQ-UHFFFAOYSA-N	-2	3	338.345	-0.527	20	0		EBADHL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000912557490	650208976	/nfs/dbraw/zinc/20/89/76/650208976.db2.gz	BKSXJEFFOPLDSB-LURJTMIESA-N	-3	3	349.321	-0.899	20	0		EBADHL
O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccccc1[O-]	ZINC000937696407	651880184	/nfs/dbraw/zinc/88/01/84/651880184.db2.gz	NXWBFKGTZGRFOL-QMMMGPOBSA-N	-2	3	345.315	-0.367	20	0		EBADHL
O=C(N[C@@H]1[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21)c1ncccc1[O-]	ZINC000976395209	726291235	/nfs/dbraw/zinc/29/12/35/726291235.db2.gz	UOFCZIBBVWZEDV-IAZYJMLFSA-N	-2	3	341.327	-0.217	20	0		EBADHL
O=C(NCC1CN(C(=O)c2cnc[n-]c2=O)C1)c1ncccc1[O-]	ZINC001001544085	726611393	/nfs/dbraw/zinc/61/13/93/726611393.db2.gz	GRNPJOZVGVMWOY-UHFFFAOYSA-N	-2	3	329.316	-0.215	20	0		EBADHL
Cc1n[nH]c(C(=O)NCC2(O)CN(C(=O)c3ccccc3[O-])C2)c1[O-]	ZINC001042572917	732483918	/nfs/dbraw/zinc/48/39/18/732483918.db2.gz	STQHHONQGNUZQG-UHFFFAOYSA-N	-2	3	346.343	-0.254	20	0		EBADHL
Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)c4ncccc4[O-])[C@@H]3C2)nc1=O	ZINC001075722443	742281508	/nfs/dbraw/zinc/28/15/08/742281508.db2.gz	UGFUACBQLFIUHE-WDEREUQCSA-N	-2	3	344.375	-0.445	20	0		EBADHL
Cc1[nH]nc(C(=O)N2C[C@@H](CNCc3n[nH]c(=O)[n-]3)C[C@H]2C)c1[O-]	ZINC000980511591	805919260	/nfs/dbraw/zinc/91/92/60/805919260.db2.gz	GUGNJZFJFLVCHM-VXNVDRBHSA-N	-2	3	335.368	-0.112	20	0		EBADHL
O=C(N[C@@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cnc[n-]c1=O	ZINC000991271414	809218889	/nfs/dbraw/zinc/21/88/89/809218889.db2.gz	PLSBHGOKLOMWRN-MEBBXXQBSA-N	-2	3	345.363	-0.067	20	0		EBADHL
O=C([O-])C[C@H](C(=O)OCCCCP(=O)([O-])[O-])[C@H](O)C(=O)[O-]	ZINC001225018700	811787845	/nfs/dbraw/zinc/78/78/45/811787845.db2.gz	FTAYTEYNSCQZKK-XPUUQOCRSA-N	-4	3	328.210	-0.976	20	0		EBADHL
O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](OCCCCP(=O)([O-])[O-])CO[C@H]12	ZINC001225021819	811787945	/nfs/dbraw/zinc/78/79/45/811787945.db2.gz	IZVGPWUMBXHLTD-SGIHWFKDSA-N	-2	3	327.226	-0.296	20	0		EBADHL
CCc1nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cc(=O)[n-]1	ZINC001226471161	811866402	/nfs/dbraw/zinc/86/64/02/811866402.db2.gz	BJQYPHFVGOWKIO-JTQLQIEISA-N	-2	3	347.393	-0.288	20	0		EBADHL
CN1[C@@H]2C[C@H](Oc3[n-]c(=O)nc4c(=O)[n-]c(=O)[nH]c34)[C@H]1CC(=O)C2	ZINC001226885794	811888498	/nfs/dbraw/zinc/88/84/98/811888498.db2.gz	IBUVXZUEOWLHKP-ARDNSNSESA-N	-2	3	333.304	-0.280	20	0		EBADHL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1c([O-])cccc1F	ZINC001249988768	812610163	/nfs/dbraw/zinc/61/01/63/812610163.db2.gz	LKTSZKJGJHBLOJ-UHFFFAOYSA-N	-2	3	331.285	-0.458	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)[C@H]1CCCO1	ZINC001087254591	816481639	/nfs/dbraw/zinc/48/16/39/816481639.db2.gz	LMHWCPQUONJPOF-SECBINFHSA-N	-2	3	349.351	-0.909	20	0		EBADHL
CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001087617305	816540231	/nfs/dbraw/zinc/54/02/31/816540231.db2.gz	RGEGUVWLONHJGV-VHSXEESVSA-N	-2	3	333.352	-0.211	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nn3cnnc3s2)co1	ZINC001119042450	827053536	/nfs/dbraw/zinc/05/35/36/827053536.db2.gz	NKFDSUGQODMFAB-UHFFFAOYSA-N	-2	3	328.335	-0.061	20	0		EBADHL
COC(=O)C(NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)=C(C)[O-]	ZINC001185326417	833356218	/nfs/dbraw/zinc/35/62/18/833356218.db2.gz	OEFZVHNXWXETCR-NSHDSACASA-N	-2	3	345.329	-0.198	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001600810075	970870357	/nfs/dbraw/zinc/87/03/57/970870357.db2.gz	TWMQSXOBFYISQN-VIFPVBQESA-N	-2	3	331.350	-0.497	20	0		EBADHL
C[C@@H](CNC(=O)c1ncccc1[O-])Nc1ccnc(-c2nn[n-]n2)n1	ZINC001575068051	951629729	/nfs/dbraw/zinc/62/97/29/951629729.db2.gz	WLVGHCIIMCJSJZ-QMMMGPOBSA-N	-2	3	341.335	-0.590	20	0		EBADHL
CNC(=O)c1n[n-]nc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC001593797543	954820863	/nfs/dbraw/zinc/82/08/63/954820863.db2.gz	NRKMYLGPVGTBKB-VIFPVBQESA-N	-2	3	332.320	-0.018	20	0		EBADHL
O=C([O-])C[N-]S(=O)(=O)c1cnn2cc(Br)cnc12	ZINC001574892742	957958502	/nfs/dbraw/zinc/95/85/02/957958502.db2.gz	INJQKFMRSHATTB-UHFFFAOYSA-N	-2	3	335.139	-0.145	20	0		EBADHL
CS(=O)(=O)NCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000230988323	960176701	/nfs/dbraw/zinc/17/67/01/960176701.db2.gz	KNKWCRXWYLNYCO-UHFFFAOYSA-N	-2	3	343.408	-0.941	20	0		EBADHL
CCCn1cc(C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])nn1	ZINC001571179851	962143680	/nfs/dbraw/zinc/14/36/80/962143680.db2.gz	CKCLJCMSDUQMRT-UHFFFAOYSA-N	-2	3	328.354	-0.104	20	0		EBADHL
O=C([O-])c1cnc(N2CC[C@H](NC(=O)c3cnc[n-]c3=O)C2)nc1	ZINC001571187489	962220583	/nfs/dbraw/zinc/22/05/83/962220583.db2.gz	DTQKWUXRORXYAL-VIFPVBQESA-N	-2	3	330.304	-0.321	20	0		EBADHL
Cc1[nH]nc(S(=O)(=O)[N-]CC(=O)NC2CCCC2)c1C(=O)[O-]	ZINC001571190424	962241156	/nfs/dbraw/zinc/24/11/56/962241156.db2.gz	HOBNEQDUIJLXFA-UHFFFAOYSA-N	-2	3	330.366	-0.247	20	0		EBADHL
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CC2(CC(NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC001571223730	962565539	/nfs/dbraw/zinc/56/55/39/962565539.db2.gz	LAFFIARTTHSBQQ-XOWBKAKMSA-N	-2	3	335.364	-0.252	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc(C(=O)[O-])nn3C)CC2)n1	ZINC001605092954	972745429	/nfs/dbraw/zinc/74/54/29/972745429.db2.gz	SYHALMUMPUUTPE-UHFFFAOYSA-N	-2	3	346.347	-0.115	20	0		EBADHL
CO[C@H](C(=O)[O-])C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-]	ZINC001604423946	973204312	/nfs/dbraw/zinc/20/43/12/973204312.db2.gz	KVJHXJBJJNRNCB-WEDXCCLWSA-N	-2	3	325.321	-0.034	20	0		EBADHL
O=C([O-])CN1CCC[C@@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1=O	ZINC001606252822	973565289	/nfs/dbraw/zinc/56/52/89/973565289.db2.gz	BCHPMLFFRDSBKF-LURJTMIESA-N	-2	3	349.269	-0.237	20	0		EBADHL
CC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001594989949	982848295	/nfs/dbraw/zinc/84/82/95/982848295.db2.gz	WOJFVQVWNKFLDK-ZETCQYMHSA-N	-2	3	332.382	-0.001	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@]2(C(=O)[O-])CCOC2)s1	ZINC001589225571	985756763	/nfs/dbraw/zinc/75/67/63/985756763.db2.gz	WOYNWPDUIQXVIY-LLVKDONJSA-N	-2	3	349.390	-0.129	20	0		EBADHL
CN(CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1nc(=O)n(C)[n-]1	ZINC001598478095	992107195	/nfs/dbraw/zinc/10/71/95/992107195.db2.gz	ZQCNSVZGAQALMU-NXEZZACHSA-N	-2	3	325.369	-0.891	20	0		EBADHL
COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001598685917	995002438	/nfs/dbraw/zinc/00/24/38/995002438.db2.gz	MZZDTOFZJLXTHV-LLVKDONJSA-N	-2	3	337.329	-0.014	20	0		EBADHL
COC(=O)[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598696728	995151660	/nfs/dbraw/zinc/15/16/60/995151660.db2.gz	KOHSMBQIQMKVGK-CHWFTXMASA-N	-2	3	335.378	-0.120	20	0		EBADHL
COC(=O)[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])CC1CC1	ZINC001598704003	995261795	/nfs/dbraw/zinc/26/17/95/995261795.db2.gz	UHWUUTKVROLGMS-MRVPVSSYSA-N	-2	3	331.350	-0.025	20	0		EBADHL
COC(=O)CN(C)CC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001598859704	996664610	/nfs/dbraw/zinc/66/46/10/996664610.db2.gz	PLBAIIAXMCJZCG-UHFFFAOYSA-N	-2	3	334.350	-0.331	20	0		EBADHL
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC001599192745	997154236	/nfs/dbraw/zinc/15/42/36/997154236.db2.gz	XAXZKICYTVTGSP-AWEZNQCLSA-N	-2	3	332.320	-0.033	20	0		EBADHL
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC001599192745	997154244	/nfs/dbraw/zinc/15/42/44/997154244.db2.gz	XAXZKICYTVTGSP-AWEZNQCLSA-N	-2	3	332.320	-0.033	20	0		EBADHL
CO[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@@H](C(=O)[O-])C1	ZINC001599120791	997735552	/nfs/dbraw/zinc/73/55/52/997735552.db2.gz	QYNONJPBLIOWEF-GXSJLCMTSA-N	-2	3	332.320	-0.034	20	0		EBADHL
CO[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@@H](C(=O)[O-])C1	ZINC001599120791	997735562	/nfs/dbraw/zinc/73/55/62/997735562.db2.gz	QYNONJPBLIOWEF-GXSJLCMTSA-N	-2	3	332.320	-0.034	20	0		EBADHL
Cc1cc(C(=O)N2CCN(CCO)C[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC001412224562	1129483958	/nfs/dbraw/zinc/48/39/58/1129483958.db2.gz	BRPOSKWVECDIPW-SNVBAGLBSA-N	-2	3	347.375	-0.117	20	0		EBADHL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCNC(=O)c1cn[n-]n1	ZINC001491343466	1130406970	/nfs/dbraw/zinc/40/69/70/1130406970.db2.gz	KPQFPVHLLVQJOB-UHFFFAOYSA-N	-2	3	336.274	-0.892	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCc2nc[n-]c(=O)c2C1	ZINC001362959178	1131724016	/nfs/dbraw/zinc/72/40/16/1131724016.db2.gz	SHQAZEQGDPEBSS-UHFFFAOYSA-N	-2	3	327.304	-0.848	20	0		EBADHL
COC(=O)C1(CS(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])CCCCC1	ZINC000263466555	290893337	/nfs/dbraw/zinc/89/33/37/290893337.db2.gz	GITBPQREBHQMEI-LBPRGKRZSA-N	-2	3	337.394	-0.135	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-]	ZINC000262356239	296139473	/nfs/dbraw/zinc/13/94/73/296139473.db2.gz	JILQFYLPRPZENI-MRVPVSSYSA-N	-2	3	336.391	-0.312	20	0		EBADHL
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]C[C@H](Oc1ccccc1)C(=O)[O-]	ZINC000572650196	377259137	/nfs/dbraw/zinc/25/91/37/377259137.db2.gz	UKWUREGGUSNKRR-PWSUYJOCSA-N	-2	3	344.389	-0.085	20	0		EBADHL
C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])cn21	ZINC000580170856	377377547	/nfs/dbraw/zinc/37/75/47/377377547.db2.gz	HJMHBOZTTADAAQ-MRVPVSSYSA-N	-2	3	330.366	-0.741	20	0		EBADHL
Cc1noc(=NC([O-])=CSc2nnc(N3CCOCC3)n2C)[n-]1	ZINC000339992994	379129715	/nfs/dbraw/zinc/12/97/15/379129715.db2.gz	DMLQDJGLZGSKLV-UHFFFAOYSA-N	-2	3	339.381	-0.504	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-]	ZINC000270426948	379448972	/nfs/dbraw/zinc/44/89/72/379448972.db2.gz	MZYAIHOAASRRTD-UHFFFAOYSA-N	-2	3	348.308	-0.909	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c(Cl)c1	ZINC000274880421	379720224	/nfs/dbraw/zinc/72/02/24/379720224.db2.gz	CNKRTQIFONSPSC-MRVPVSSYSA-N	-2	3	337.737	-0.150	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)Cc1noc2ccccc12	ZINC000274984326	379729297	/nfs/dbraw/zinc/72/92/97/379729297.db2.gz	YDBXGPJSTPZDES-UHFFFAOYSA-N	-2	3	327.318	-0.552	20	0		EBADHL
COC(=O)c1coc(S(=O)(=O)[N-][C@H](Cc2c[nH]cn2)C(=O)[O-])c1	ZINC000275007055	379730880	/nfs/dbraw/zinc/73/08/80/379730880.db2.gz	BIALUNRULFAZBV-SECBINFHSA-N	-2	3	343.317	-0.237	20	0		EBADHL
COC(=O)c1coc(S(=O)(=O)[N-][C@H](Cc2cnc[nH]2)C(=O)[O-])c1	ZINC000275007055	379730889	/nfs/dbraw/zinc/73/08/89/379730889.db2.gz	BIALUNRULFAZBV-SECBINFHSA-N	-2	3	343.317	-0.237	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c1	ZINC000275019848	379731864	/nfs/dbraw/zinc/73/18/64/379731864.db2.gz	DEGQPOIHYVQMLZ-LDWIPMOCSA-N	-2	3	335.309	-0.275	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c1	ZINC000279166552	379943421	/nfs/dbraw/zinc/94/34/21/379943421.db2.gz	CGEZWIWWTROYJJ-UHFFFAOYSA-N	-2	3	345.308	-0.190	20	0		EBADHL
CC(C)(O)CO[N-]C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000279283630	379947649	/nfs/dbraw/zinc/94/76/49/379947649.db2.gz	XVILZZLETOCKTQ-UHFFFAOYSA-N	-2	3	336.142	-0.470	20	0		EBADHL
CO[C@@]1(C(=O)[O-])CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000630253923	380024317	/nfs/dbraw/zinc/02/43/17/380024317.db2.gz	ZMGYZRDRIYWYOD-LBPRGKRZSA-N	-2	3	348.402	-0.272	20	0		EBADHL
CCc1ncc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)s1	ZINC000547564857	380145845	/nfs/dbraw/zinc/14/58/45/380145845.db2.gz	HCNRNILTPFWLHD-MRVPVSSYSA-N	-2	3	347.418	-0.083	20	0		EBADHL
O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2	ZINC000547877830	380168364	/nfs/dbraw/zinc/16/83/64/380168364.db2.gz	UBJQNRAAWOXFAI-VIFPVBQESA-N	-2	3	348.764	-0.052	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c(C)o1	ZINC000547896182	380169930	/nfs/dbraw/zinc/16/99/30/380169930.db2.gz	FKQYIDXUVHBZOQ-SSDOTTSWSA-N	-3	3	349.317	-0.172	20	0		EBADHL
Cc1nn2cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)cnc2c1Cl	ZINC000548531409	380212778	/nfs/dbraw/zinc/21/27/78/380212778.db2.gz	WXBOPNITTZZPFP-MUWHJKNJSA-N	-2	3	348.768	-0.197	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-]	ZINC000548534638	380213116	/nfs/dbraw/zinc/21/31/16/380213116.db2.gz	SOSUYAXZEZHZJZ-ZETCQYMHSA-N	-2	3	335.334	-0.258	20	0		EBADHL
CC(C)c1nc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)cn1C	ZINC000578864924	380955543	/nfs/dbraw/zinc/95/55/43/380955543.db2.gz	ZMBHWDSTVFVJRF-UHFFFAOYSA-N	-2	3	342.381	-0.302	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000011174883	381108861	/nfs/dbraw/zinc/10/88/61/381108861.db2.gz	MPEYHPVXIAROHQ-UHFFFAOYSA-N	-2	3	339.329	-0.417	20	0		EBADHL
CCO[C@@H](CS(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1)C1CC1	ZINC000629296643	382105113	/nfs/dbraw/zinc/10/51/13/382105113.db2.gz	SUNMWYJXNHOULM-NSHDSACASA-N	-2	3	332.382	-0.403	20	0		EBADHL
Cn1nccc1S(=O)(=O)[N-]c1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000354217864	382218790	/nfs/dbraw/zinc/21/87/90/382218790.db2.gz	NBLNOKYHMXJQGE-LLVKDONJSA-N	-2	3	349.372	-0.029	20	0		EBADHL
Cn1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)n1	ZINC000354223618	382220818	/nfs/dbraw/zinc/22/08/18/382220818.db2.gz	ZOUKKUTZGDXXMV-NSHDSACASA-N	-2	3	349.372	-0.029	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-]	ZINC000274937124	292012928	/nfs/dbraw/zinc/01/29/28/292012928.db2.gz	QFXRIMMICPUIOK-MRVPVSSYSA-N	-2	3	348.308	-0.781	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274922770	292012944	/nfs/dbraw/zinc/01/29/44/292012944.db2.gz	NECHOHGNKFMALF-MRVPVSSYSA-N	-3	3	349.292	-0.182	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-]	ZINC000262422430	154230587	/nfs/dbraw/zinc/23/05/87/154230587.db2.gz	NGZWGTPRZPDDDR-LURJTMIESA-N	-2	3	336.753	-0.045	20	0		EBADHL
C[C@@]1(c2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000262557803	154238422	/nfs/dbraw/zinc/23/84/22/154238422.db2.gz	XFQLOPZFMUWJSY-BZNIZROVSA-N	-2	3	347.327	-0.333	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N(C)[C@@H](C)C(=O)[O-])cn1C	ZINC000262917860	154250376	/nfs/dbraw/zinc/25/03/76/154250376.db2.gz	UOBHVCXIBFGNBN-QMMMGPOBSA-N	-2	3	332.382	-0.672	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H](C(=O)[O-])C(C)C)cn1C	ZINC000262931327	154251275	/nfs/dbraw/zinc/25/12/75/154251275.db2.gz	XPQRNEWKGRQEHO-GFCCVEGCSA-N	-2	3	346.409	-0.378	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c(C)o1	ZINC000262942807	154251916	/nfs/dbraw/zinc/25/19/16/154251916.db2.gz	LRTVXGIMHHOLBQ-GMSGAONNSA-N	-2	3	346.361	-0.190	20	0		EBADHL
CO[C@@H](CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000263061159	154252823	/nfs/dbraw/zinc/25/28/23/154252823.db2.gz	HOLKVOOQVZOQFK-BONVTDFDSA-N	-2	3	335.316	-0.429	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-]	ZINC000263507658	154259027	/nfs/dbraw/zinc/25/90/27/154259027.db2.gz	WFXHTUFSLSAMLN-LBPRGKRZSA-N	-2	3	335.334	-0.258	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-]	ZINC000263831634	154265349	/nfs/dbraw/zinc/26/53/49/154265349.db2.gz	BZZVYRPGLIVKSJ-UHFFFAOYSA-N	-2	3	348.308	-0.909	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]OC[C@@H]1CCOC1	ZINC000290304909	155002105	/nfs/dbraw/zinc/00/21/05/155002105.db2.gz	ADNXXNAMQQKGOC-SNVBAGLBSA-N	-2	3	333.366	-0.346	20	0		EBADHL
COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)OC	ZINC000292014238	155026735	/nfs/dbraw/zinc/02/67/35/155026735.db2.gz	ZAEUVINCTWOMMP-SECBINFHSA-N	-2	3	335.309	-0.010	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])Nc1nnc(SCCO)[n-]1	ZINC000343853949	156173243	/nfs/dbraw/zinc/17/32/43/156173243.db2.gz	UHDHAYBVTCEJOX-UHFFFAOYSA-N	-2	3	338.349	-0.642	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])Nc1nc(SCCO)n[n-]1	ZINC000343853949	156173247	/nfs/dbraw/zinc/17/32/47/156173247.db2.gz	UHDHAYBVTCEJOX-UHFFFAOYSA-N	-2	3	338.349	-0.642	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])Nc1n[n-]c(SCCO)n1	ZINC000343853949	156173248	/nfs/dbraw/zinc/17/32/48/156173248.db2.gz	UHDHAYBVTCEJOX-UHFFFAOYSA-N	-2	3	338.349	-0.642	20	0		EBADHL
NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cn1	ZINC000344624166	156247608	/nfs/dbraw/zinc/24/76/08/156247608.db2.gz	HXBCUDOKCRPCRV-UHFFFAOYSA-N	-2	3	349.328	-0.947	20	0		EBADHL
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cn1	ZINC000357203359	157125733	/nfs/dbraw/zinc/12/57/33/157125733.db2.gz	RLQKHFIMIGJAIX-UHFFFAOYSA-N	-2	3	346.324	-0.135	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@H]2C(=O)[O-])cn1C	ZINC000360816557	157399768	/nfs/dbraw/zinc/39/97/68/157399768.db2.gz	HRIATRRFSWDCHR-JTQLQIEISA-N	-2	3	344.393	-0.527	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000275143541	419325772	/nfs/dbraw/zinc/32/57/72/419325772.db2.gz	QQRNHNLQNLPMDK-MRVPVSSYSA-N	-2	3	333.322	-0.940	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000275143541	419325775	/nfs/dbraw/zinc/32/57/75/419325775.db2.gz	QQRNHNLQNLPMDK-MRVPVSSYSA-N	-2	3	333.322	-0.940	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H](C(=O)[O-])C(C)C)cn1C	ZINC000655569423	419436934	/nfs/dbraw/zinc/43/69/34/419436934.db2.gz	COSXLQBMFJCEBT-JTQLQIEISA-N	-2	3	346.409	-0.520	20	0		EBADHL
COC(=O)CCc1n[n-]c(=NC(=O)N=c2cc(OC)n(C)[n-]2)s1	ZINC000515280578	419977751	/nfs/dbraw/zinc/97/77/51/419977751.db2.gz	SZDXYTOEOLFFEG-UHFFFAOYSA-N	-2	3	340.365	-0.126	20	0		EBADHL
C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@H](C)C(=O)Nc1ncccc1[O-]	ZINC000646202141	420540158	/nfs/dbraw/zinc/54/01/58/420540158.db2.gz	JAXYIDPQWCPKCY-IUCAKERBSA-N	-2	3	349.347	-0.582	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c(F)c1	ZINC000516601189	420670426	/nfs/dbraw/zinc/67/04/26/420670426.db2.gz	VZEGCVMVWVDBJI-MRVPVSSYSA-N	-2	3	348.308	-0.781	20	0		EBADHL
Cn1cc([C@@H]([N-]S(=O)(=O)c2c(Cl)cnn2C)C(=O)[O-])cn1	ZINC000227864999	420722465	/nfs/dbraw/zinc/72/24/65/420722465.db2.gz	UUFNJHQOZUANPR-MRVPVSSYSA-N	-2	3	333.757	-0.089	20	0		EBADHL
C[C@H](CNC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O)C(=O)[O-]	ZINC000655882235	420858066	/nfs/dbraw/zinc/85/80/66/420858066.db2.gz	VCFUHQFENVGGAP-RFXMVYNHSA-N	-2	3	326.353	-0.131	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@H](C(=O)[O-])C2CCC2)c1	ZINC000663152716	421126874	/nfs/dbraw/zinc/12/68/74/421126874.db2.gz	HJGKZVAIXLMMGL-JTQLQIEISA-N	-2	3	344.393	-0.685	20	0		EBADHL
CC(C)C[C@H](CNC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)C(=O)[O-]	ZINC000424403404	265061026	/nfs/dbraw/zinc/06/10/26/265061026.db2.gz	AXMJFCADPUZXNV-ZJUUUORDSA-N	-2	3	326.353	-0.321	20	0		EBADHL
CC(C)C[C@@H](CNC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)C(=O)[O-]	ZINC000424403402	265061502	/nfs/dbraw/zinc/06/15/02/265061502.db2.gz	AXMJFCADPUZXNV-VHSXEESVSA-N	-2	3	326.353	-0.321	20	0		EBADHL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2nnn(C)n2)c1	ZINC000447151265	272850299	/nfs/dbraw/zinc/85/02/99/272850299.db2.gz	UARSALPSOJKJHN-UHFFFAOYSA-N	-2	3	329.313	-0.166	20	0		EBADHL
CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000322875404	545823626	/nfs/dbraw/zinc/82/36/26/545823626.db2.gz	ZVJYSSPBVVDMPJ-SECBINFHSA-N	-3	3	348.308	-0.010	20	0		EBADHL
CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c(F)c1	ZINC000390344057	546415641	/nfs/dbraw/zinc/41/56/41/546415641.db2.gz	WEXKUEUZCUZSRI-SECBINFHSA-N	-2	3	347.324	-0.609	20	0		EBADHL
CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC000776612911	582597273	/nfs/dbraw/zinc/59/72/73/582597273.db2.gz	DEBMYPZQASNRCK-XPUUQOCRSA-N	-2	3	325.774	-0.034	20	0		EBADHL
COCCS(=O)(=O)[N-]c1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000737823412	582852328	/nfs/dbraw/zinc/85/23/28/582852328.db2.gz	IBVUWPLRDPAWTH-UHFFFAOYSA-N	-2	3	330.362	-0.182	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC	ZINC000737590998	583018517	/nfs/dbraw/zinc/01/85/17/583018517.db2.gz	JUVAEHYUXLNZMJ-LURJTMIESA-N	-2	3	335.290	-0.639	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)NCc1cccc(-c2nnn[n-]2)c1	ZINC000737863681	583029846	/nfs/dbraw/zinc/02/98/46/583029846.db2.gz	TVIDQKCUCRQHEK-UHFFFAOYSA-N	-2	3	341.331	-0.577	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)NCc1cccc(-c2nn[n-]n2)c1	ZINC000737863681	583029848	/nfs/dbraw/zinc/02/98/48/583029848.db2.gz	TVIDQKCUCRQHEK-UHFFFAOYSA-N	-2	3	341.331	-0.577	20	0		EBADHL
O=C(NC1(c2nnn[n-]2)CCCC1)c1ccc(-c2nnn[n-]2)nc1	ZINC000738010045	583037924	/nfs/dbraw/zinc/03/79/24/583037924.db2.gz	ATRPYYUBTUEFMY-UHFFFAOYSA-N	-2	3	326.324	-0.026	20	0		EBADHL
O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(-c2nnn[n-]2)nc1	ZINC000738010045	583037928	/nfs/dbraw/zinc/03/79/28/583037928.db2.gz	ATRPYYUBTUEFMY-UHFFFAOYSA-N	-2	3	326.324	-0.026	20	0		EBADHL
O=C(NC1(c2nnn[n-]2)CCCC1)c1ccc(-c2nn[n-]n2)nc1	ZINC000738010045	583037931	/nfs/dbraw/zinc/03/79/31/583037931.db2.gz	ATRPYYUBTUEFMY-UHFFFAOYSA-N	-2	3	326.324	-0.026	20	0		EBADHL
O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(-c2nn[n-]n2)nc1	ZINC000738010045	583037934	/nfs/dbraw/zinc/03/79/34/583037934.db2.gz	ATRPYYUBTUEFMY-UHFFFAOYSA-N	-2	3	326.324	-0.026	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCCCC(=O)[O-])cn1C	ZINC000738869100	583054194	/nfs/dbraw/zinc/05/41/94/583054194.db2.gz	QIMMTOFOCKICNG-UHFFFAOYSA-N	-2	3	346.409	-0.232	20	0		EBADHL
C[C@@]1(c2cccc(C(=O)OCc3n[nH]c(=O)[n-]3)c2)NC(=O)[N-]C1=O	ZINC000774970390	583393498	/nfs/dbraw/zinc/39/34/98/583393498.db2.gz	DAKIMSHDUCCGRM-AWEZNQCLSA-N	-2	3	331.288	-0.078	20	0		EBADHL
O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000776437602	583404208	/nfs/dbraw/zinc/40/42/08/583404208.db2.gz	WLLYWIALQNZCLR-MRVPVSSYSA-N	-3	3	331.350	-0.184	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])nc1Cl	ZINC000776585513	583406655	/nfs/dbraw/zinc/40/66/55/583406655.db2.gz	UKYDBAUOYCFPLP-JTQLQIEISA-N	-3	3	339.757	-0.083	20	0		EBADHL
Cc1cc(F)c(S(=O)(=O)[N-]Cc2nnn(C)n2)cc1C(=O)[O-]	ZINC000781968876	583463968	/nfs/dbraw/zinc/46/39/68/583463968.db2.gz	HYBIXBCVCJTABP-UHFFFAOYSA-N	-2	3	329.313	-0.166	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)NCC(=O)[O-])ccc1F	ZINC000820641502	583776687	/nfs/dbraw/zinc/77/66/87/583776687.db2.gz	STWVVKRBYHHVRF-UHFFFAOYSA-N	-2	3	348.308	-0.909	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1	ZINC000820894585	583782825	/nfs/dbraw/zinc/78/28/25/583782825.db2.gz	WZVCLDGQABZOIU-UHFFFAOYSA-N	-2	3	330.318	-0.584	20	0		EBADHL
CNC(=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821633001	583798045	/nfs/dbraw/zinc/79/80/45/583798045.db2.gz	SKKQYKZNISRUIW-UHFFFAOYSA-N	-2	3	346.319	-0.441	20	0		EBADHL
CNC(=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821633001	583798047	/nfs/dbraw/zinc/79/80/47/583798047.db2.gz	SKKQYKZNISRUIW-UHFFFAOYSA-N	-2	3	346.319	-0.441	20	0		EBADHL
CS(=O)(=O)NCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000821937596	583806367	/nfs/dbraw/zinc/80/63/67/583806367.db2.gz	NZRKQEMZZLNRNI-UHFFFAOYSA-N	-2	3	326.338	-0.550	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C[C@@H]2CCCCO2)n1	ZINC000822619829	583814550	/nfs/dbraw/zinc/81/45/50/583814550.db2.gz	HIWBHEOINQGEAX-QMMMGPOBSA-N	-2	3	327.370	-0.089	20	0		EBADHL
CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCC(N)=O	ZINC000824206705	583842418	/nfs/dbraw/zinc/84/24/18/583842418.db2.gz	HDTKOMLQTIPJBX-LBPRGKRZSA-N	-2	3	334.336	-0.197	20	0		EBADHL
CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCC(N)=O	ZINC000824206705	583842420	/nfs/dbraw/zinc/84/24/20/583842420.db2.gz	HDTKOMLQTIPJBX-LBPRGKRZSA-N	-2	3	334.336	-0.197	20	0		EBADHL
C[C@@H](O)[C@@H](NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-]	ZINC000824680253	583848931	/nfs/dbraw/zinc/84/89/31/583848931.db2.gz	ZWRSYRUKRVXFQJ-GMSGAONNSA-N	-2	3	341.349	-0.880	20	0		EBADHL
C[C@@H](O)[C@@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-]	ZINC000824680253	583848933	/nfs/dbraw/zinc/84/89/33/583848933.db2.gz	ZWRSYRUKRVXFQJ-GMSGAONNSA-N	-2	3	341.349	-0.880	20	0		EBADHL
C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000825458670	583861023	/nfs/dbraw/zinc/86/10/23/583861023.db2.gz	JUUZRCRRKDSGQY-RNFRBKRXSA-N	-2	3	325.325	-0.022	20	0		EBADHL
C/C(=C/COC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000825765838	583866506	/nfs/dbraw/zinc/86/65/06/583866506.db2.gz	YVOZZHXAHZPVMS-YWEYNIOJSA-N	-2	3	331.350	-0.419	20	0		EBADHL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000826102329	583878374	/nfs/dbraw/zinc/87/83/74/583878374.db2.gz	XIPKRISJMHDQFC-GIHMMQTOSA-N	-2	3	340.336	-0.700	20	0		EBADHL
COC[C@](C)(NC(=O)COc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-]	ZINC000826148691	583883413	/nfs/dbraw/zinc/88/34/13/583883413.db2.gz	OMOHTZLUXAVXKJ-AWEZNQCLSA-N	-2	3	335.320	-0.149	20	0		EBADHL
COC[C@](C)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-]	ZINC000826148691	583883416	/nfs/dbraw/zinc/88/34/16/583883416.db2.gz	OMOHTZLUXAVXKJ-AWEZNQCLSA-N	-2	3	335.320	-0.149	20	0		EBADHL
Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cc(C(N)=O)n[nH]1	ZINC000826280063	583890486	/nfs/dbraw/zinc/89/04/86/583890486.db2.gz	MOOONYGSZGJRIM-UHFFFAOYSA-N	-2	3	348.348	-0.202	20	0		EBADHL
Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(C(N)=O)n[nH]1	ZINC000826280063	583890488	/nfs/dbraw/zinc/89/04/88/583890488.db2.gz	MOOONYGSZGJRIM-UHFFFAOYSA-N	-2	3	348.348	-0.202	20	0		EBADHL
Cn1[n-]c(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)nc1=O	ZINC000826366163	583895404	/nfs/dbraw/zinc/89/54/04/583895404.db2.gz	VOJZQTYZJCFKGC-UHFFFAOYSA-N	-2	3	341.379	-0.389	20	0		EBADHL
Cn1[n-]c(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)nc1=O	ZINC000826366163	583895406	/nfs/dbraw/zinc/89/54/06/583895406.db2.gz	VOJZQTYZJCFKGC-UHFFFAOYSA-N	-2	3	341.379	-0.389	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826450097	583902876	/nfs/dbraw/zinc/90/28/76/583902876.db2.gz	WYGLZKCHXZFZEP-SSDOTTSWSA-N	-2	3	326.338	-0.709	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826450097	583902879	/nfs/dbraw/zinc/90/28/79/583902879.db2.gz	WYGLZKCHXZFZEP-SSDOTTSWSA-N	-2	3	326.338	-0.709	20	0		EBADHL
O=S(=O)([N-]CCOCCO)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000826491460	583905438	/nfs/dbraw/zinc/90/54/38/583905438.db2.gz	KLOGRFREHWQWQC-UHFFFAOYSA-N	-2	3	349.319	-0.568	20	0		EBADHL
O=S(=O)([N-]CCOCCO)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000826491460	583905439	/nfs/dbraw/zinc/90/54/39/583905439.db2.gz	KLOGRFREHWQWQC-UHFFFAOYSA-N	-2	3	349.319	-0.568	20	0		EBADHL
CCN(CCCNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000827116061	583915411	/nfs/dbraw/zinc/91/54/11/583915411.db2.gz	AHNRQNJDWBJBBU-UHFFFAOYSA-N	-2	3	347.397	-0.795	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)c(C)o1	ZINC000828579664	583943050	/nfs/dbraw/zinc/94/30/50/583943050.db2.gz	ORMLIYQECICYQD-QMMMGPOBSA-N	-2	3	331.350	-0.022	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CCNC(=O)[O-])cc1F	ZINC000829696458	583957209	/nfs/dbraw/zinc/95/72/09/583957209.db2.gz	YUWOJIOPPOYAMS-UHFFFAOYSA-N	-2	3	340.354	-0.225	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)OCCN(C)C(=O)[O-])cn1C	ZINC000830776006	583970914	/nfs/dbraw/zinc/97/09/14/583970914.db2.gz	XJWWXOWPUGIJIF-UHFFFAOYSA-N	-2	3	348.381	-0.450	20	0		EBADHL
Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])C2=O)n(C)n1	ZINC000832888197	584002326	/nfs/dbraw/zinc/00/23/26/584002326.db2.gz	DLTHMVNFXQBYPO-SNVBAGLBSA-N	-2	3	344.393	-0.382	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]2CC(=O)[O-])cn1C	ZINC000833002586	584002800	/nfs/dbraw/zinc/00/28/00/584002800.db2.gz	CQMBWJOBSFYTQY-SNVBAGLBSA-N	-2	3	344.393	-0.527	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC(CC(=O)[O-])CC2)c1	ZINC000833058458	584003861	/nfs/dbraw/zinc/00/38/61/584003861.db2.gz	XIJFNTVAFULWNR-UHFFFAOYSA-N	-2	3	344.393	-0.588	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1	ZINC000833058574	584003975	/nfs/dbraw/zinc/00/39/75/584003975.db2.gz	YNXMIFGLOLQCBM-JTQLQIEISA-N	-2	3	332.382	-0.686	20	0		EBADHL
O=C([O-])c1ccccc1NC(=O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000833108504	584005855	/nfs/dbraw/zinc/00/58/55/584005855.db2.gz	QGZWUQHZMKPWDD-NSHDSACASA-N	-2	3	332.316	-0.441	20	0		EBADHL
O=C([O-])[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CC1	ZINC000833119387	584005975	/nfs/dbraw/zinc/00/59/75/584005975.db2.gz	BYVKMTZYSAFCBC-MRVPVSSYSA-N	-2	3	346.137	-0.309	20	0		EBADHL
CN(C(=O)COC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1C(=O)[O-]	ZINC000833686289	584013758	/nfs/dbraw/zinc/01/37/58/584013758.db2.gz	SQRIXFLJYMIKMN-VIFPVBQESA-N	-2	3	349.299	-0.511	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCCN2C(=O)[O-])cn1C	ZINC000833915168	584019594	/nfs/dbraw/zinc/01/95/94/584019594.db2.gz	CJQSWPJRYZLCJO-UHFFFAOYSA-N	-2	3	345.381	-0.476	20	0		EBADHL
O=C([O-])N1CCC[C@H](OCC(=O)Nc2nnc(SCCO)[n-]2)C1	ZINC000834009399	584024113	/nfs/dbraw/zinc/02/41/13/584024113.db2.gz	GBCLDULNGCHFDI-QMMMGPOBSA-N	-2	3	345.381	-0.013	20	0		EBADHL
O=C([O-])N1CCC[C@H](OCC(=O)Nc2n[n-]c(SCCO)n2)C1	ZINC000834009399	584024115	/nfs/dbraw/zinc/02/41/15/584024115.db2.gz	GBCLDULNGCHFDI-QMMMGPOBSA-N	-2	3	345.381	-0.013	20	0		EBADHL
O=C([O-])N1CCC[C@H](OCC(=O)Nc2nc(SCCO)n[n-]2)C1	ZINC000834009399	584024118	/nfs/dbraw/zinc/02/41/18/584024118.db2.gz	GBCLDULNGCHFDI-QMMMGPOBSA-N	-2	3	345.381	-0.013	20	0		EBADHL
O=C([O-])NCC(=O)NCC(=O)Nc1n[n-]c(-c2ccccc2F)n1	ZINC000834197841	584028738	/nfs/dbraw/zinc/02/87/38/584028738.db2.gz	BKUCOWYKVRUWFM-UHFFFAOYSA-N	-2	3	336.283	-0.067	20	0		EBADHL
O=C([O-])NCCCCCCC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000834240920	584030013	/nfs/dbraw/zinc/03/00/13/584030013.db2.gz	NECRSUGOTAOJIP-SNVBAGLBSA-N	-2	3	326.353	-0.033	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F	ZINC000846002062	584119355	/nfs/dbraw/zinc/11/93/55/584119355.db2.gz	LPLSDYZZFFTTHT-UHFFFAOYSA-N	-2	3	334.325	-0.042	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F	ZINC000846002448	584119378	/nfs/dbraw/zinc/11/93/78/584119378.db2.gz	JILCBYPURDWYSM-UHFFFAOYSA-N	-2	3	334.325	-0.042	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC	ZINC000846003647	584119663	/nfs/dbraw/zinc/11/96/63/584119663.db2.gz	IEKTXXSZFKKLKF-UHFFFAOYSA-N	-2	3	334.325	-0.042	20	0		EBADHL
NC(=O)[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CCOC1	ZINC000846772012	584131259	/nfs/dbraw/zinc/13/12/59/584131259.db2.gz	XZMGEMRLBDSAPT-LBPRGKRZSA-N	-2	3	332.309	-0.553	20	0		EBADHL
CCS(=O)(=O)[N-]C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000850838613	584188828	/nfs/dbraw/zinc/18/88/28/584188828.db2.gz	ZZIPNYXCTVINBY-ZDUSSCGKSA-N	-2	3	325.346	-0.179	20	0		EBADHL
CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1C(C)[C@H]1C(=O)[N-]O[C@@H](CO)C(C)C	ZINC000854828315	584251052	/nfs/dbraw/zinc/25/10/52/584251052.db2.gz	WHZINXYXUZCWHE-IGQOVBAYSA-N	-2	3	346.424	-0.002	20	0		EBADHL
CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1)C(C)C	ZINC000860754306	584321703	/nfs/dbraw/zinc/32/17/03/584321703.db2.gz	FHFKJBVJRAHPDE-GFCCVEGCSA-N	-2	3	339.377	-0.077	20	0		EBADHL
CCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000390304611	599776039	/nfs/dbraw/zinc/77/60/39/599776039.db2.gz	AZPNOQMHAWKVJI-UHFFFAOYSA-N	-2	3	326.352	-0.805	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H](C)C2)c1[O-]	ZINC000947205183	653334459	/nfs/dbraw/zinc/33/44/59/653334459.db2.gz	NGCUBDHGIAJNCE-WPRPVWTQSA-N	-2	3	349.395	-0.372	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)c1[O-]	ZINC000950529072	654166041	/nfs/dbraw/zinc/16/60/41/654166041.db2.gz	XUQJLFBBIIRYKF-GMSGAONNSA-N	-2	3	346.347	-0.190	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CC[C@H]2CNC(=O)c2c(C)nc[n-]c2=O)c1[O-]	ZINC000951680316	654243463	/nfs/dbraw/zinc/24/34/63/654243463.db2.gz	LFCCPWRRRMLHFV-VIFPVBQESA-N	-2	3	346.347	-0.128	20	0		EBADHL
C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969546029	725191459	/nfs/dbraw/zinc/19/14/59/725191459.db2.gz	HPRMARZJOPIHOJ-SECBINFHSA-N	-2	3	332.364	-0.541	20	0		EBADHL
O=C(N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccccc1[O-]	ZINC000973026725	725619903	/nfs/dbraw/zinc/61/99/03/725619903.db2.gz	XBQKVGSSSHRDMZ-ZKCHVHJHSA-N	-2	3	345.315	-0.321	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000973182007	725659685	/nfs/dbraw/zinc/65/96/85/725659685.db2.gz	UAZGMIZZNLSMRU-ZKCHVHJHSA-N	-2	3	332.320	-0.390	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c1[O-]	ZINC000994882579	726109054	/nfs/dbraw/zinc/10/90/54/726109054.db2.gz	VZSYBZLHPBFAQQ-IUCAKERBSA-N	-2	3	335.368	-0.064	20	0		EBADHL
Cn1[n-]c(CN2CCC[C@@H](CNC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001023325217	729663789	/nfs/dbraw/zinc/66/37/89/729663789.db2.gz	DPKDPFQEEUGOOM-NSHDSACASA-N	-2	3	346.391	-0.149	20	0		EBADHL
O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)c1ncccc1[O-]	ZINC001023488308	729702298	/nfs/dbraw/zinc/70/22/98/729702298.db2.gz	BLCHHIJABCXSNX-BXKDBHETSA-N	-2	3	344.327	-0.497	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001028088059	730265502	/nfs/dbraw/zinc/26/55/02/730265502.db2.gz	DKNPCPKUOYJVEQ-SECBINFHSA-N	-2	3	333.352	-0.291	20	0		EBADHL
Cc1nc(C)c(CC(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)c(=O)[n-]1	ZINC001044290015	733359662	/nfs/dbraw/zinc/35/96/62/733359662.db2.gz	GRYNJOSYYGJAKA-UHFFFAOYSA-N	-2	3	347.379	-0.492	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CCC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001050074394	734837364	/nfs/dbraw/zinc/83/73/64/734837364.db2.gz	YTXAMVBPDSBTKD-GXSJLCMTSA-N	-2	3	345.363	-0.258	20	0		EBADHL
O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnc[n-]c1=O	ZINC001052479421	735626171	/nfs/dbraw/zinc/62/61/71/735626171.db2.gz	ACDCBEKHAIDQMF-VIFPVBQESA-N	-2	3	333.352	-0.210	20	0		EBADHL
Cc1c(=O)[n-]cnc1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001226071772	811846032	/nfs/dbraw/zinc/84/60/32/811846032.db2.gz	UMRGOJSOBOTIBL-SNVBAGLBSA-N	-2	3	333.366	-0.542	20	0		EBADHL
O=S(=O)([O-])C[C@@H](CN1CCOCC1)Oc1ccnc(=S)[n-]1	ZINC001226940705	811892400	/nfs/dbraw/zinc/89/24/00/811892400.db2.gz	UFSNGGGKFXODQL-SECBINFHSA-N	-2	3	335.407	-0.267	20	0		EBADHL
O=C([O-])C[C@H](O)C(=O)Oc1[n-]c(=O)nc2nc(Br)[n-]c21	ZINC001227594016	811929899	/nfs/dbraw/zinc/92/98/99/811929899.db2.gz	KFHXRYCOJYRYTC-REOHCLBHSA-N	-3	3	347.081	-0.438	20	0		EBADHL
COC(=O)c1ccc([O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228192452	811967944	/nfs/dbraw/zinc/96/79/44/811967944.db2.gz	KPNUCFLKQYOQGI-KWQFWETISA-N	-3	3	342.256	-0.379	20	0		EBADHL
CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1ccccc1[O-]	ZINC001081372433	812830865	/nfs/dbraw/zinc/83/08/65/812830865.db2.gz	FBTQZQRRSIVSRO-ZYHUDNBSSA-N	-2	3	333.348	-0.155	20	0		EBADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)NCCP(=O)([O-])[O-]	ZINC001260523983	812835369	/nfs/dbraw/zinc/83/53/69/812835369.db2.gz	ZCPURMWTKMTQDV-UHFFFAOYSA-N	-2	3	343.319	-0.454	20	0		EBADHL
C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1nc(=O)n(C)[n-]1	ZINC001088538757	816699644	/nfs/dbraw/zinc/69/96/44/816699644.db2.gz	PKKYFCWJXNHZGJ-ZJUUUORDSA-N	-2	3	332.364	-0.398	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)NCCP(=O)([O-])[O-])ccc1O	ZINC001197257239	835527527	/nfs/dbraw/zinc/52/75/27/835527527.db2.gz	WALSSEDPFHZZTB-UHFFFAOYSA-N	-2	3	339.262	-0.365	20	0		EBADHL
O=C([N-]OC1CCOCC1)C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC001323806161	839531447	/nfs/dbraw/zinc/53/14/47/839531447.db2.gz	FLMYQCGDLWTECK-UHFFFAOYSA-N	-2	3	337.258	-0.334	20	0		EBADHL
O=c1cc(CN(C2CC2)C2COC2)nc2c(-c3nnn[n-]3)c[n-]n21	ZINC001570926866	948698945	/nfs/dbraw/zinc/69/89/45/948698945.db2.gz	JENXZMZKLHWZOV-UHFFFAOYSA-N	-2	3	328.336	-0.022	20	0		EBADHL
COc1cc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)ccc1-c1nnn[n-]1	ZINC001570946795	949544030	/nfs/dbraw/zinc/54/40/30/949544030.db2.gz	PZDBTKBSEVWYEZ-UHFFFAOYSA-N	-2	3	346.307	-0.806	20	0		EBADHL
CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)[C@H](OC)C(=O)[O-]	ZINC001591280417	951127858	/nfs/dbraw/zinc/12/78/58/951127858.db2.gz	RKTDDCHUBVUPMC-XCBNKYQSSA-N	-2	3	326.309	-0.256	20	0		EBADHL
CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@H](OC)C(=O)[O-]	ZINC001591280417	951127867	/nfs/dbraw/zinc/12/78/67/951127867.db2.gz	RKTDDCHUBVUPMC-XCBNKYQSSA-N	-2	3	326.309	-0.256	20	0		EBADHL
O=C([O-])COCCOCCNC(=O)c1cc2c(cc1[O-])OCO2	ZINC001595115077	951941897	/nfs/dbraw/zinc/94/18/97/951941897.db2.gz	WAGJHHMCUAVWCC-UHFFFAOYSA-N	-2	3	327.289	-0.032	20	0		EBADHL
O=C([O-])Cn1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)nn1	ZINC001574743323	957695333	/nfs/dbraw/zinc/69/53/33/957695333.db2.gz	PJNZPBAEBLXZDX-UHFFFAOYSA-N	-2	3	333.304	-0.772	20	0		EBADHL
C[C@H](O)[C@H](O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001603266259	972458488	/nfs/dbraw/zinc/45/84/88/972458488.db2.gz	SMLIRDXHBPNLLQ-JQCXWYLXSA-N	-2	3	328.287	-0.676	20	0		EBADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccoc1	ZINC001571184543	962185044	/nfs/dbraw/zinc/18/50/44/962185044.db2.gz	CNYLUCHZNLDPIZ-VIFPVBQESA-N	-2	3	329.334	-0.170	20	0		EBADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H](CO)Cc1ccoc1	ZINC001571184542	962185407	/nfs/dbraw/zinc/18/54/07/962185407.db2.gz	CNYLUCHZNLDPIZ-SECBINFHSA-N	-2	3	329.334	-0.170	20	0		EBADHL
O=C([O-])c1nccc(N2CC[C@H](NC(=O)c3cnc[n-]c3=O)C2)n1	ZINC001571187500	962222863	/nfs/dbraw/zinc/22/28/63/962222863.db2.gz	FBSRULZPZSXMBO-QMMMGPOBSA-N	-2	3	330.304	-0.321	20	0		EBADHL
O=C([O-])CN1CCC[C@H](C(=O)N2CCCc3c(=O)[n-]cnc32)C1=O	ZINC001574719717	962754130	/nfs/dbraw/zinc/75/41/30/962754130.db2.gz	MQYFJNHVMOUDGM-JTQLQIEISA-N	-2	3	334.332	-0.215	20	0		EBADHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CN3CCN2CCC3)o1	ZINC000394686354	972738789	/nfs/dbraw/zinc/73/87/89/972738789.db2.gz	HPLDBFMNCWCCJW-JTQLQIEISA-N	-2	3	329.378	-0.354	20	0		EBADHL
C[C@@H](CCN1CCN(C)CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001592513796	978350969	/nfs/dbraw/zinc/35/09/69/978350969.db2.gz	KDYLONLRJBHIMU-JTQLQIEISA-N	-2	3	346.409	-0.323	20	0		EBADHL
CC[C@@](COC)([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(=O)OC	ZINC001595199616	979943012	/nfs/dbraw/zinc/94/30/12/979943012.db2.gz	LLJQVKJZBHYZCO-LBPRGKRZSA-N	-2	3	349.365	-0.337	20	0		EBADHL
CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)N1CCOCC1	ZINC001595311250	980470908	/nfs/dbraw/zinc/47/09/08/980470908.db2.gz	RINJFTXYCYMELC-SNVBAGLBSA-N	-2	3	346.361	-0.107	20	0		EBADHL
CCC(=O)C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-]	ZINC001594695661	987117575	/nfs/dbraw/zinc/11/75/75/987117575.db2.gz	KXEYTYBPEUYPKP-LURJTMIESA-N	-3	3	336.347	-0.058	20	0		EBADHL
CCc1nncn1CC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001597742150	989104942	/nfs/dbraw/zinc/10/49/42/989104942.db2.gz	XWQOEGVYEPXSIS-UHFFFAOYSA-N	-2	3	328.354	-0.451	20	0		EBADHL
C[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H]1NC(=O)c1cnc[n-]c1=O	ZINC001599868625	989312380	/nfs/dbraw/zinc/31/23/80/989312380.db2.gz	FUNHDBBCXGVDSK-PSASIEDQSA-N	-2	3	344.331	-0.075	20	0		EBADHL
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCCOC1	ZINC001598283282	991172454	/nfs/dbraw/zinc/17/24/54/991172454.db2.gz	GPYKLPRWJTVNGU-SBKAZYGRSA-N	-2	3	343.427	-0.581	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])ccc1F	ZINC001598673459	994799045	/nfs/dbraw/zinc/79/90/45/994799045.db2.gz	OORVBVOPJJMZJB-SCZZXKLOSA-N	-2	3	346.336	-0.606	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@H]1CN(C)CCN1C	ZINC001593348191	994964363	/nfs/dbraw/zinc/96/43/63/994964363.db2.gz	YQOACXBZZZETEJ-DTWKUNHWSA-N	-2	3	348.450	-0.246	20	0		EBADHL
COC(=O)[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CCOC1	ZINC001598701385	995227767	/nfs/dbraw/zinc/22/77/67/995227767.db2.gz	CXEKBLYYTHBZQF-SFYZADRCSA-N	-2	3	347.349	-0.788	20	0		EBADHL
COC(=O)[C@H]1CN(Cc2nc3c(c(=O)[n-]2)COCC3)C[C@@H]1C(=O)[O-]	ZINC001598826174	996385165	/nfs/dbraw/zinc/38/51/65/996385165.db2.gz	MSGLYXHEKHXAGN-IUCAKERBSA-N	-2	3	337.332	-0.440	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)CCCc3nnn[n-]3)C2)n1	ZINC001412608132	1129575136	/nfs/dbraw/zinc/57/51/36/1129575136.db2.gz	UABKKZUMMJRELS-JTQLQIEISA-N	-2	3	332.368	-0.278	20	0		EBADHL
O=C(NC[C@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1[O-]	ZINC001368261864	1134054879	/nfs/dbraw/zinc/05/48/79/1134054879.db2.gz	RONOTQRLXDFURQ-OAHLLOKOSA-N	-2	3	333.348	-0.417	20	0		EBADHL
Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001373596323	1136508409	/nfs/dbraw/zinc/50/84/09/1136508409.db2.gz	WJXKGHRIAFEKAE-JTQLQIEISA-N	-2	3	347.379	-0.362	20	0		EBADHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-]	ZINC000044242878	376108483	/nfs/dbraw/zinc/10/84/83/376108483.db2.gz	GHXMUPLTCVSNLT-YLWLKBPMSA-N	-2	3	339.167	-0.044	20	0		EBADHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)[C@@H]1CCCOC1	ZINC000584111490	376178168	/nfs/dbraw/zinc/17/81/68/376178168.db2.gz	GWZDPAHVALFSDZ-MWLCHTKSSA-N	-2	3	345.377	-0.176	20	0		EBADHL
O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cnn(CCO)c3)ccc21	ZINC000068216285	376543948	/nfs/dbraw/zinc/54/39/48/376543948.db2.gz	XNGLJVKWJZBSFR-UHFFFAOYSA-N	-2	3	336.329	-0.440	20	0		EBADHL
COCC[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000262258002	379232895	/nfs/dbraw/zinc/23/28/95/379232895.db2.gz	DEZPDYHDNNZVCB-QMMMGPOBSA-N	-2	3	336.391	-0.368	20	0		EBADHL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274883413	379720885	/nfs/dbraw/zinc/72/08/85/379720885.db2.gz	DJUNMVKZTLGOAC-RXMQYKEDSA-N	-3	3	325.730	-0.412	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c(C)o1	ZINC000274903607	379723619	/nfs/dbraw/zinc/72/36/19/379723619.db2.gz	IVPQJQXFSNPPDQ-ZCFIWIBFSA-N	-3	3	335.290	-0.419	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)co1	ZINC000538226986	379966338	/nfs/dbraw/zinc/96/63/38/379966338.db2.gz	CJJZUZNMXTVORV-MRVPVSSYSA-N	-2	3	340.365	-0.279	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)co1	ZINC000538226986	379966350	/nfs/dbraw/zinc/96/63/50/379966350.db2.gz	CJJZUZNMXTVORV-MRVPVSSYSA-N	-2	3	340.365	-0.279	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1nc(=O)o[n-]1	ZINC000280221855	379975326	/nfs/dbraw/zinc/97/53/26/379975326.db2.gz	WTKAOBVVCHYSOF-ZETCQYMHSA-N	-2	3	346.390	-0.550	20	0		EBADHL
O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)[N-]OCc1ccccc1	ZINC000278989744	379939004	/nfs/dbraw/zinc/93/90/04/379939004.db2.gz	BDFCHMKKNBHYKG-INIZCTEOSA-N	-2	3	332.360	-0.092	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1	ZINC000281218352	380013532	/nfs/dbraw/zinc/01/35/32/380013532.db2.gz	QYIQAXGDJDDGDX-UHFFFAOYSA-N	-2	3	345.308	-0.190	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000547881577	380168029	/nfs/dbraw/zinc/16/80/29/380168029.db2.gz	JBZYHNKGZAZUHD-VIFPVBQESA-N	-3	3	349.292	-0.182	20	0		EBADHL
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cccc3c2OCO3)nn1	ZINC000549027936	380238644	/nfs/dbraw/zinc/23/86/44/380238644.db2.gz	GYWGAISMGIYCJW-UHFFFAOYSA-N	-2	3	340.317	-0.430	20	0		EBADHL
CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c1	ZINC000285321936	380240921	/nfs/dbraw/zinc/24/09/21/380240921.db2.gz	ZVEMYMHPTAUZBE-VIFPVBQESA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)[n-]1	ZINC000358945273	380242105	/nfs/dbraw/zinc/24/21/05/380242105.db2.gz	OHFVFQGPZLZUNK-UHFFFAOYSA-N	-2	3	344.305	-0.299	20	0		EBADHL
CC(=O)NCCN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](C)C(=O)[O-]	ZINC000564967801	380390815	/nfs/dbraw/zinc/39/08/15/380390815.db2.gz	PKVVEMJWBWKFAB-QMMMGPOBSA-N	-2	3	347.327	-0.378	20	0		EBADHL
O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c[n-]nn2)C1=O	ZINC000573205953	380664194	/nfs/dbraw/zinc/66/41/94/380664194.db2.gz	KONBFDYQFWQXJN-ZYHUDNBSSA-N	-2	3	329.316	-0.039	20	0		EBADHL
O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cn[n-]n2)C1=O	ZINC000573205953	380664199	/nfs/dbraw/zinc/66/41/99/380664199.db2.gz	KONBFDYQFWQXJN-ZYHUDNBSSA-N	-2	3	329.316	-0.039	20	0		EBADHL
O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cnn[n-]2)C1=O	ZINC000573205953	380664203	/nfs/dbraw/zinc/66/42/03/380664203.db2.gz	KONBFDYQFWQXJN-ZYHUDNBSSA-N	-2	3	329.316	-0.039	20	0		EBADHL
CC(C)c1nc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])cn1C	ZINC000576477871	380772775	/nfs/dbraw/zinc/77/27/75/380772775.db2.gz	CFRPJCSFMLBAIU-UHFFFAOYSA-N	-2	3	332.382	-0.587	20	0		EBADHL
NC(=O)[C@@]1([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCOC1	ZINC000577229024	380811841	/nfs/dbraw/zinc/81/18/41/380811841.db2.gz	WRYWGTQJLTXWDW-GFCCVEGCSA-N	-2	3	332.309	-0.553	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NN1CC(=O)[N-]C1=O	ZINC000029019483	381512677	/nfs/dbraw/zinc/51/26/77/381512677.db2.gz	OVYIWKXZABGEBO-ZETCQYMHSA-N	-2	3	344.324	-0.925	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c(C)o1	ZINC000352473885	381989910	/nfs/dbraw/zinc/98/99/10/381989910.db2.gz	YZVUEIATFWPDBL-ZETCQYMHSA-N	-2	3	342.381	-0.115	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(C)o1	ZINC000352473885	381989914	/nfs/dbraw/zinc/98/99/14/381989914.db2.gz	YZVUEIATFWPDBL-ZETCQYMHSA-N	-2	3	342.381	-0.115	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]c2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)c1	ZINC000354216687	382218830	/nfs/dbraw/zinc/21/88/30/382218830.db2.gz	IVAQRJWAGOUFNT-LLVKDONJSA-N	-2	3	349.372	-0.029	20	0		EBADHL
O=C1[N-]C(=O)[C@@H](Cc2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2)N1	ZINC000354223385	382220137	/nfs/dbraw/zinc/22/01/37/382220137.db2.gz	ZKBZTKMYDDTVGQ-SNVBAGLBSA-N	-2	3	335.345	-0.039	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-]	ZINC000261724101	154198454	/nfs/dbraw/zinc/19/84/54/154198454.db2.gz	RLULJVTYMQYZSK-ZCFIWIBFSA-N	-2	3	325.339	-0.019	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CCC(=O)[O-])cc1F	ZINC000261731743	154200077	/nfs/dbraw/zinc/20/00/77/154200077.db2.gz	SPQWQPYOXYNYMM-UHFFFAOYSA-N	-2	3	325.339	-0.018	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@H]2C(=O)[O-])cn1C	ZINC000262182878	154217291	/nfs/dbraw/zinc/21/72/91/154217291.db2.gz	XANIDSNWDMAYQS-JTQLQIEISA-N	-2	3	344.393	-0.527	20	0		EBADHL
COCC[C@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000262298703	154223207	/nfs/dbraw/zinc/22/32/07/154223207.db2.gz	NCJMRDVNLNYQNW-ZBEGNZNMSA-N	-2	3	349.343	-0.039	20	0		EBADHL
C[C@]1(c2cccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2)NC(=O)[N-]C1=O	ZINC000262608060	154239662	/nfs/dbraw/zinc/23/96/62/154239662.db2.gz	ATGAWTMNUSJWSK-BDJLRTHQSA-N	-2	3	347.327	-0.333	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N(C)CCC(=O)[O-])cn1C	ZINC000262784227	154247604	/nfs/dbraw/zinc/24/76/04/154247604.db2.gz	ZBKVTJRJEHRIQK-UHFFFAOYSA-N	-2	3	332.382	-0.670	20	0		EBADHL
C[C@@]1(c2cccc(C(=O)N[C@]3(C(=O)[O-])CCOC3)c2)NC(=O)[N-]C1=O	ZINC000262933521	154251400	/nfs/dbraw/zinc/25/14/00/154251400.db2.gz	KGENQGQWVSWARY-JKSUJKDBSA-N	-2	3	347.327	-0.285	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000263344030	154257550	/nfs/dbraw/zinc/25/75/50/154257550.db2.gz	SUDLSJVSFZHTEV-UJNFCWOMSA-N	-2	3	345.377	-0.062	20	0		EBADHL
C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-]	ZINC000263477468	154258630	/nfs/dbraw/zinc/25/86/30/154258630.db2.gz	JTBIAOJKEZBVGE-SECBINFHSA-N	-2	3	339.167	-0.042	20	0		EBADHL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000275036791	154635392	/nfs/dbraw/zinc/63/53/92/154635392.db2.gz	UVBZLCAVSIMPDK-ZCFIWIBFSA-N	-3	3	339.757	-0.164	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c(F)cc1C	ZINC000296921274	155080415	/nfs/dbraw/zinc/08/04/15/155080415.db2.gz	KUOWZANTAVAGMX-SECBINFHSA-N	-2	3	335.309	-0.355	20	0		EBADHL
O=C(Nc1nnc(SCCO)[n-]1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000343843210	156172498	/nfs/dbraw/zinc/17/24/98/156172498.db2.gz	BTONWXOBAKJTSI-UHFFFAOYSA-N	-2	3	349.332	-0.109	20	0		EBADHL
O=C(Nc1nc(SCCO)n[n-]1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000343843210	156172507	/nfs/dbraw/zinc/17/25/07/156172507.db2.gz	BTONWXOBAKJTSI-UHFFFAOYSA-N	-2	3	349.332	-0.109	20	0		EBADHL
O=C(Nc1n[n-]c(SCCO)n1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000343843210	156172511	/nfs/dbraw/zinc/17/25/11/156172511.db2.gz	BTONWXOBAKJTSI-UHFFFAOYSA-N	-2	3	349.332	-0.109	20	0		EBADHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c(F)c1	ZINC000390198334	419012003	/nfs/dbraw/zinc/01/20/03/419012003.db2.gz	AJXIKEIXIKASQO-UHFFFAOYSA-N	-2	3	347.324	-0.737	20	0		EBADHL
CC(=O)NCCN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)[C@H](C)C(=O)[O-]	ZINC000516650544	419170341	/nfs/dbraw/zinc/17/03/41/419170341.db2.gz	POANZALQFXETAI-MRVPVSSYSA-N	-2	3	339.352	-0.700	20	0		EBADHL
COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-]	ZINC000526060395	419207319	/nfs/dbraw/zinc/20/73/19/419207319.db2.gz	JELFLNKLVFPGBA-SECBINFHSA-N	-2	3	337.325	-0.425	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])CC2CC2)cn1	ZINC000653324046	419208886	/nfs/dbraw/zinc/20/88/86/419208886.db2.gz	FWHUXVPNCXZYTP-UHFFFAOYSA-N	-2	3	327.362	-0.074	20	0		EBADHL
CN(C[C@@H](O)CNC(=O)c1ncccc1[O-])C(=O)c1ncccc1[O-]	ZINC000647810528	419309140	/nfs/dbraw/zinc/30/91/40/419309140.db2.gz	PYNQDKRBBUBGFP-JTQLQIEISA-N	-2	3	346.343	-0.249	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274950615	419324874	/nfs/dbraw/zinc/32/48/74/419324874.db2.gz	SNMVCGZOTGFOCM-ZETCQYMHSA-N	-3	3	349.292	-0.182	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-]	ZINC000274902507	419325819	/nfs/dbraw/zinc/32/58/19/419325819.db2.gz	IKLKZUXNHFHRIH-ZETCQYMHSA-N	-2	3	348.308	-0.781	20	0		EBADHL
CC(C)[C@@H](CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000655568064	419433054	/nfs/dbraw/zinc/43/30/54/419433054.db2.gz	ZDLJNICRSKCPHE-SECBINFHSA-N	-2	3	332.382	-0.829	20	0		EBADHL
CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])S(C)(=O)=O	ZINC000645961908	420528793	/nfs/dbraw/zinc/52/87/93/420528793.db2.gz	NLTPXYVMXJFUAR-UHFFFAOYSA-N	-2	3	342.420	-0.057	20	0		EBADHL
CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)NS(C)(=O)=O	ZINC000645968030	420529369	/nfs/dbraw/zinc/52/93/69/420529369.db2.gz	XUPNCLUOLGIBFL-UHFFFAOYSA-N	-2	3	340.379	-0.416	20	0		EBADHL
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(C(N)=O)s2)s1	ZINC000338873931	420578924	/nfs/dbraw/zinc/57/89/24/420578924.db2.gz	YHTZLNYVHIVLCD-UHFFFAOYSA-N	-2	3	347.403	0.322	20	0		EBADHL
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(C(N)=O)cn2)s1	ZINC000354446905	420580372	/nfs/dbraw/zinc/58/03/72/420580372.db2.gz	NQRMUTRNBDVTJD-UHFFFAOYSA-N	-2	3	342.362	-0.344	20	0		EBADHL
O=C([O-])[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CCO1	ZINC000387141318	420820722	/nfs/dbraw/zinc/82/07/22/420820722.db2.gz	MGDGNMVQQCLPDB-VIFPVBQESA-N	-2	3	348.402	-0.272	20	0		EBADHL
COCCCS(=O)(=O)[N-]CC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC000659767735	421030896	/nfs/dbraw/zinc/03/08/96/421030896.db2.gz	OGKINQMHHWXEAB-UHFFFAOYSA-N	-2	3	331.350	-0.326	20	0		EBADHL
CCc1nc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])cn1CC1CC1	ZINC000663285310	421128077	/nfs/dbraw/zinc/12/80/77/421128077.db2.gz	FWGLCOMBDVCJFG-SNVBAGLBSA-N	-2	3	331.394	-0.031	20	0		EBADHL
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	ZINC000282997909	289268375	/nfs/dbraw/zinc/26/83/75/289268375.db2.gz	YQTIOFVWYYFTCR-UHFFFAOYSA-N	-2	3	348.402	-0.168	20	0		EBADHL
CC(C)c1nc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c[nH]1	ZINC000681580348	546307498	/nfs/dbraw/zinc/30/74/98/546307498.db2.gz	UGZOCRLRCUFGKA-UHFFFAOYSA-N	-2	3	328.354	-0.312	20	0		EBADHL
Cn1[n-]nnc1=NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000685039451	546381309	/nfs/dbraw/zinc/38/13/09/546381309.db2.gz	MXVYCFNCCBLFHC-UHFFFAOYSA-N	-2	3	334.764	-0.185	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-][C@H](Cc2ncccn2)C(=O)[O-])cn1C	ZINC000650429259	582549708	/nfs/dbraw/zinc/54/97/08/582549708.db2.gz	HGOUOEBOHNKYLC-SECBINFHSA-N	-2	3	325.350	-0.507	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-][C@@H](Cc2ncccn2)C(=O)[O-])cn1C	ZINC000650429260	582549712	/nfs/dbraw/zinc/54/97/12/582549712.db2.gz	HGOUOEBOHNKYLC-VIFPVBQESA-N	-2	3	325.350	-0.507	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)[N-]OC[C@H]2CCOC2)cn1C	ZINC000788269620	582646132	/nfs/dbraw/zinc/64/61/32/582646132.db2.gz	BUGQIQGNTLNDAK-JTQLQIEISA-N	-2	3	332.382	-0.909	20	0		EBADHL
COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-]	ZINC000526060659	582679619	/nfs/dbraw/zinc/67/96/19/582679619.db2.gz	KWLWKFWWDGMFCT-VIFPVBQESA-N	-2	3	337.325	-0.425	20	0		EBADHL
COc1ncc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)cn1	ZINC000733951506	582868423	/nfs/dbraw/zinc/86/84/23/582868423.db2.gz	IGOMIXUZMGDZTD-UHFFFAOYSA-N	-2	3	330.351	-0.040	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000737863629	583029898	/nfs/dbraw/zinc/02/98/98/583029898.db2.gz	SVWIXZWYWSXATF-UHFFFAOYSA-N	-2	3	345.294	-0.115	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000737863629	583029901	/nfs/dbraw/zinc/02/99/01/583029901.db2.gz	SVWIXZWYWSXATF-UHFFFAOYSA-N	-2	3	345.294	-0.115	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccnn2C)nc1Cl	ZINC000819090651	583754898	/nfs/dbraw/zinc/75/48/98/583754898.db2.gz	ZYEWZKLDJLDHRT-MRVPVSSYSA-N	-2	3	333.757	-0.089	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)nc1Cl	ZINC000819090652	583755036	/nfs/dbraw/zinc/75/50/36/583755036.db2.gz	ZYEWZKLDJLDHRT-QMMMGPOBSA-N	-2	3	333.757	-0.089	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(N)=O	ZINC000820437601	583773020	/nfs/dbraw/zinc/77/30/20/583773020.db2.gz	AGNSIOVWOGZZSJ-BYPYZUCNSA-N	-2	3	332.292	-0.703	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(N)=O	ZINC000820437601	583773022	/nfs/dbraw/zinc/77/30/22/583773022.db2.gz	AGNSIOVWOGZZSJ-BYPYZUCNSA-N	-2	3	332.292	-0.703	20	0		EBADHL
C[C@@H](NS(C)(=O)=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000820450214	583773202	/nfs/dbraw/zinc/77/32/02/583773202.db2.gz	IAKGDPVONRIQQW-ZCFIWIBFSA-N	-2	3	326.338	-0.552	20	0		EBADHL
CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000821389115	583790523	/nfs/dbraw/zinc/79/05/23/583790523.db2.gz	GHVIPJUZABXGDV-MRVPVSSYSA-N	-2	3	340.365	-0.399	20	0		EBADHL
CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000821389115	583790524	/nfs/dbraw/zinc/79/05/24/583790524.db2.gz	GHVIPJUZABXGDV-MRVPVSSYSA-N	-2	3	340.365	-0.399	20	0		EBADHL
CO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000821697610	583802489	/nfs/dbraw/zinc/80/24/89/583802489.db2.gz	HZMZMCNTXXDAKR-SSDOTTSWSA-N	-2	3	326.338	-0.789	20	0		EBADHL
CO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000821697610	583802490	/nfs/dbraw/zinc/80/24/90/583802490.db2.gz	HZMZMCNTXXDAKR-SSDOTTSWSA-N	-2	3	326.338	-0.789	20	0		EBADHL
C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)Cn1nnnc1CNC(=O)[O-]	ZINC000824544732	583847220	/nfs/dbraw/zinc/84/72/20/583847220.db2.gz	SAOZULGQSMAJIO-QMMMGPOBSA-N	-2	3	334.340	-0.331	20	0		EBADHL
C/C(=C/COC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000825758198	583866501	/nfs/dbraw/zinc/86/65/01/583866501.db2.gz	FTAJKKKCGLIFSA-UITAMQMPSA-N	-2	3	345.377	-0.029	20	0		EBADHL
CNC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1	ZINC000826068243	583876633	/nfs/dbraw/zinc/87/66/33/583876633.db2.gz	PPWCSKLCXJIJAJ-UHFFFAOYSA-N	-2	3	348.348	-0.250	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1C	ZINC000826163265	583886458	/nfs/dbraw/zinc/88/64/58/583886458.db2.gz	MNIRWKBIIWFENR-UHFFFAOYSA-N	-2	3	325.350	-0.119	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1C	ZINC000826163265	583886459	/nfs/dbraw/zinc/88/64/59/583886459.db2.gz	MNIRWKBIIWFENR-UHFFFAOYSA-N	-2	3	325.350	-0.119	20	0		EBADHL
Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(C(N)=O)n[nH]1	ZINC000826256107	583890088	/nfs/dbraw/zinc/89/00/88/583890088.db2.gz	VEWVWKCRXUXNLU-UHFFFAOYSA-N	-2	3	348.348	-0.202	20	0		EBADHL
Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(C(N)=O)n[nH]1	ZINC000826256107	583890090	/nfs/dbraw/zinc/89/00/90/583890090.db2.gz	VEWVWKCRXUXNLU-UHFFFAOYSA-N	-2	3	348.348	-0.202	20	0		EBADHL
Cc1cnc(N)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1	ZINC000826318941	583891417	/nfs/dbraw/zinc/89/14/17/583891417.db2.gz	GUTCFQCRHRDFEX-UHFFFAOYSA-N	-2	3	335.353	-0.313	20	0		EBADHL
NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1	ZINC000826395078	583898701	/nfs/dbraw/zinc/89/87/01/583898701.db2.gz	MAMXIMWJYFXMFW-UHFFFAOYSA-N	-2	3	349.332	-0.200	20	0		EBADHL
NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1	ZINC000826395078	583898704	/nfs/dbraw/zinc/89/87/04/583898704.db2.gz	MAMXIMWJYFXMFW-UHFFFAOYSA-N	-2	3	349.332	-0.200	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826449814	583902736	/nfs/dbraw/zinc/90/27/36/583902736.db2.gz	KQHFMCYOXZPBHW-VIFPVBQESA-N	-2	3	340.365	-0.177	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826449814	583902738	/nfs/dbraw/zinc/90/27/38/583902738.db2.gz	KQHFMCYOXZPBHW-VIFPVBQESA-N	-2	3	340.365	-0.177	20	0		EBADHL
O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000826472488	583903608	/nfs/dbraw/zinc/90/36/08/583903608.db2.gz	LUHCRRGTTYXKAH-VIFPVBQESA-N	-2	3	326.324	-0.205	20	0		EBADHL
O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000826472488	583903609	/nfs/dbraw/zinc/90/36/09/583903609.db2.gz	LUHCRRGTTYXKAH-VIFPVBQESA-N	-2	3	326.324	-0.205	20	0		EBADHL
O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000826472488	583903610	/nfs/dbraw/zinc/90/36/10/583903610.db2.gz	LUHCRRGTTYXKAH-VIFPVBQESA-N	-2	3	326.324	-0.205	20	0		EBADHL
O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000826472488	583903611	/nfs/dbraw/zinc/90/36/11/583903611.db2.gz	LUHCRRGTTYXKAH-VIFPVBQESA-N	-2	3	326.324	-0.205	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(CNC(=O)NC2CN(C(=O)[O-])C2)s1	ZINC000828584383	583943024	/nfs/dbraw/zinc/94/30/24/583943024.db2.gz	BXJGQCKZXTWYPG-UHFFFAOYSA-N	-2	3	348.406	-0.182	20	0		EBADHL
CCC(CC)(NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000828828825	583947435	/nfs/dbraw/zinc/94/74/35/583947435.db2.gz	DEZZGJSSRNPYOM-UHFFFAOYSA-N	-2	3	346.409	-0.234	20	0		EBADHL
CSCC[C@@H](NC(=O)[O-])C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000829732176	583957753	/nfs/dbraw/zinc/95/77/53/583957753.db2.gz	UDYZAVKZQIKROA-SFYZADRCSA-N	-2	3	330.366	-0.862	20	0		EBADHL
Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])on1	ZINC000830096815	583963900	/nfs/dbraw/zinc/96/39/00/583963900.db2.gz	LEMHBHCPVUGWBJ-CIUDSAMLSA-N	-2	3	327.293	-0.034	20	0		EBADHL
Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])on1	ZINC000830096819	583963909	/nfs/dbraw/zinc/96/39/09/583963909.db2.gz	LEMHBHCPVUGWBJ-DJLDLDEBSA-N	-2	3	327.293	-0.034	20	0		EBADHL
Cc1nc(C)c(CC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])c(=O)[n-]1	ZINC000830716797	583969920	/nfs/dbraw/zinc/96/99/20/583969920.db2.gz	YBADHDIJKWUGLJ-NSHDSACASA-N	-2	3	337.380	-0.248	20	0		EBADHL
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000831714645	583990575	/nfs/dbraw/zinc/99/05/75/583990575.db2.gz	GDGHRDYHRVCZLB-MNOVXSKESA-N	-2	3	332.320	-0.404	20	0		EBADHL
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000831714645	583990576	/nfs/dbraw/zinc/99/05/76/583990576.db2.gz	GDGHRDYHRVCZLB-MNOVXSKESA-N	-2	3	332.320	-0.404	20	0		EBADHL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCN(C)C1=O	ZINC000831934875	583993688	/nfs/dbraw/zinc/99/36/88/583993688.db2.gz	ZJYSGYSMZIIZNA-ZCFIWIBFSA-N	-2	3	334.375	-0.036	20	0		EBADHL
O=C([O-])NCc1ccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1	ZINC000832685161	584000498	/nfs/dbraw/zinc/00/04/98/584000498.db2.gz	ZODWPYABHHXTPI-LLVKDONJSA-N	-2	3	332.316	-0.170	20	0		EBADHL
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC000833089972	584005591	/nfs/dbraw/zinc/00/55/91/584005591.db2.gz	JXFAZAANKYSOOX-UHFFFAOYSA-N	-2	3	334.288	-0.023	20	0		EBADHL
Cc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])CC2	ZINC000833756500	584015939	/nfs/dbraw/zinc/01/59/39/584015939.db2.gz	KYTVWYUVOSADGU-QMMMGPOBSA-N	-2	3	340.365	-0.390	20	0		EBADHL
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCN(Cc1cccnc1)C(=O)[O-]	ZINC000834013366	584024100	/nfs/dbraw/zinc/02/41/00/584024100.db2.gz	YAGUMONMDSCHPJ-NSHDSACASA-N	-2	3	349.347	-0.334	20	0		EBADHL
O=C([O-])NCCOc1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1	ZINC000834244667	584030018	/nfs/dbraw/zinc/03/00/18/584030018.db2.gz	DIOBTEHQTCRTEY-JTQLQIEISA-N	-2	3	336.304	-0.130	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-][C@@H](Cc2ncccn2)C(=O)[O-])nc1Cl	ZINC000844812619	584097366	/nfs/dbraw/zinc/09/73/66/584097366.db2.gz	FJFMBIUIZKVOPV-ZETCQYMHSA-N	-2	3	345.768	-0.162	20	0		EBADHL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCn1cncn1	ZINC000852734422	584214988	/nfs/dbraw/zinc/21/49/88/584214988.db2.gz	AYEFEQCILSNLOE-IUCAKERBSA-N	-2	3	335.286	-0.126	20	0		EBADHL
Cc1[nH]nc(S(=O)(=O)[N-]CCCN2CCOCC2)c1C(=O)[O-]	ZINC000738829186	600229931	/nfs/dbraw/zinc/22/99/31/600229931.db2.gz	LYNNGMBUCFEGDM-UHFFFAOYSA-N	-2	3	332.382	-0.583	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])n1	ZINC000739768846	602910935	/nfs/dbraw/zinc/91/09/35/602910935.db2.gz	UAAAEOLAWYASHZ-MRVPVSSYSA-N	-2	3	341.324	-0.382	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])n[n-]1	ZINC000739768846	602910938	/nfs/dbraw/zinc/91/09/38/602910938.db2.gz	UAAAEOLAWYASHZ-MRVPVSSYSA-N	-2	3	341.324	-0.382	20	0		EBADHL
C[C@@H]1[C@H](NC(=O)c2cnc[n-]c2=O)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC000993476365	725893121	/nfs/dbraw/zinc/89/31/21/725893121.db2.gz	HIMZICSKWWPWSL-PSASIEDQSA-N	-2	3	333.352	-0.211	20	0		EBADHL
Cn1[n-]c(CN2C[C@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)nc1=O	ZINC000974489496	726032114	/nfs/dbraw/zinc/03/21/14/726032114.db2.gz	LSMXJOSFFRBWPZ-NSHDSACASA-N	-2	3	346.391	-0.151	20	0		EBADHL
O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc(=O)c2ccccc2[n-]1	ZINC001030631953	730616838	/nfs/dbraw/zinc/61/68/38/730616838.db2.gz	KFORTSRERQAHBO-UHFFFAOYSA-N	-2	3	340.343	-0.034	20	0		EBADHL
O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cccc2n[n-]nc21	ZINC001038291893	731302887	/nfs/dbraw/zinc/30/28/87/731302887.db2.gz	DWQMMTHHINAFHS-QMMMGPOBSA-N	-2	3	328.336	-0.214	20	0		EBADHL
Cn1[n-]c(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])CC2)nc1=O	ZINC001052331242	735590769	/nfs/dbraw/zinc/59/07/69/735590769.db2.gz	KYBJNEIDTDYRHO-LLVKDONJSA-N	-2	3	346.391	-0.007	20	0		EBADHL
O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCCO1)c1cnc[n-]c1=O	ZINC001073654152	741697017	/nfs/dbraw/zinc/69/70/17/741697017.db2.gz	AFSRNKDGEVWUSJ-VIFPVBQESA-N	-2	3	349.351	-0.973	20	0		EBADHL
Cc1n[nH]c(C(=O)NCc2nc(CNC(=O)C3CC3)cc(=O)[n-]2)c1[O-]	ZINC000984124913	807172622	/nfs/dbraw/zinc/17/26/22/807172622.db2.gz	KKNYUEDHXQYBCF-UHFFFAOYSA-N	-2	3	346.347	-0.124	20	0		EBADHL
Cc1ccc(F)c(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1[O-]	ZINC001215738174	810341742	/nfs/dbraw/zinc/34/17/42/810341742.db2.gz	OXUFVXZOPYCUSZ-UHFFFAOYSA-N	-2	3	345.312	-0.149	20	0		EBADHL
Cc1cc(C)c(NC(=O)[C@@H](N)Cc2nn[n-]n2)c(S(=O)(=O)[O-])c1	ZINC001218947605	810547477	/nfs/dbraw/zinc/54/74/77/810547477.db2.gz	JNXCJUZKYDQDMM-QMMMGPOBSA-N	-2	3	340.365	-0.428	20	0		EBADHL
Cc1cc(C)c(NC(=O)[C@@H](N)Cc2nnn[n-]2)c(S(=O)(=O)[O-])c1	ZINC001218947605	810547486	/nfs/dbraw/zinc/54/74/86/810547486.db2.gz	JNXCJUZKYDQDMM-QMMMGPOBSA-N	-2	3	340.365	-0.428	20	0		EBADHL
O=c1nc2nc(Br)[n-]c2c(OC2CS(=O)(=O)C2)[n-]1	ZINC001227597666	811929323	/nfs/dbraw/zinc/92/93/23/811929323.db2.gz	RPKJBCKCTYZZNI-UHFFFAOYSA-N	-2	3	335.139	-0.003	20	0		EBADHL
O=c1nc2cn[n-]c2c(OC[C@@H]2COCCOCCOCCO2)[n-]1	ZINC001233939528	812370513	/nfs/dbraw/zinc/37/05/13/812370513.db2.gz	KVBMAMASTYRGRZ-JTQLQIEISA-N	-2	3	340.336	-0.526	20	0		EBADHL
COC(=O)CS(=O)(=O)NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001259030052	812805056	/nfs/dbraw/zinc/80/50/56/812805056.db2.gz	LYSBFZKIFUAKHY-UHFFFAOYSA-N	-2	3	349.301	-0.248	20	0		EBADHL
NC(=O)c1nc(C[N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)no1	ZINC001260401278	812831546	/nfs/dbraw/zinc/83/15/46/812831546.db2.gz	GIDPPBTXTKEQTN-UHFFFAOYSA-N	-2	3	342.289	-0.949	20	0		EBADHL
CCOC(=O)C(NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)=C(C)[O-]	ZINC001260401271	812832244	/nfs/dbraw/zinc/83/22/44/812832244.db2.gz	FVWXJBSYFFBWDZ-NSHDSACASA-N	-2	3	345.329	-0.111	20	0		EBADHL
CC1(C)C[C@H]1C(=O)NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1	ZINC001087256165	816485562	/nfs/dbraw/zinc/48/55/62/816485562.db2.gz	BIDDXLWBSISGIN-VIFPVBQESA-N	-2	3	347.379	-0.042	20	0		EBADHL
O=C([N-]c1nnco1)c1n[nH]c2c1CN(C(=O)c1cc(=O)[nH][n-]1)C2	ZINC001276019042	817342143	/nfs/dbraw/zinc/34/21/43/817342143.db2.gz	JZAOZFLOPXRZLO-UHFFFAOYSA-N	-2	3	330.264	-0.370	20	0		EBADHL
Cc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cn(C)c(Cl)n3)nc2n1	ZINC001116290359	826611136	/nfs/dbraw/zinc/61/11/36/826611136.db2.gz	FYJXKZVQTYOOGR-UHFFFAOYSA-N	-2	3	343.756	-0.086	20	0		EBADHL
O=C([O-])[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cccnc1Cl	ZINC001116664190	826631789	/nfs/dbraw/zinc/63/17/89/826631789.db2.gz	ZDLIMLJEFKJYJZ-VIFPVBQESA-N	-2	3	349.796	-0.201	20	0		EBADHL
Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C(N)=O	ZINC001185565585	833361495	/nfs/dbraw/zinc/36/14/95/833361495.db2.gz	DQJXRPHHXLVBBR-UHFFFAOYSA-N	-2	3	348.348	-0.500	20	0		EBADHL
Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1C(N)=O	ZINC001185565585	833361497	/nfs/dbraw/zinc/36/14/97/833361497.db2.gz	DQJXRPHHXLVBBR-UHFFFAOYSA-N	-2	3	348.348	-0.500	20	0		EBADHL
COC(=O)[C@H](CCC(=O)NCCCCP(=O)([O-])[O-])NC(C)=O	ZINC001144964086	830173235	/nfs/dbraw/zinc/17/32/35/830173235.db2.gz	QJYDXXFJHQNMME-JTQLQIEISA-N	-2	3	338.297	-0.482	20	0		EBADHL
CS(=O)(=O)N1CCC(C(=O)NCCCCP(=O)([O-])[O-])CC1	ZINC001178768250	832912695	/nfs/dbraw/zinc/91/26/95/832912695.db2.gz	UGGWWIULARHXLB-UHFFFAOYSA-N	-2	3	342.354	-0.268	20	0		EBADHL
O=C([O-])COc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])cc1	ZINC001192741245	834723872	/nfs/dbraw/zinc/72/38/72/834723872.db2.gz	XYFNOJSCJSDCRD-UHFFFAOYSA-N	-3	3	339.262	-0.394	20	0		EBADHL
COCCOCCS(=O)(=O)[N-]N=c1[n-]ncc(N)c1Cl	ZINC001319468516	838134774	/nfs/dbraw/zinc/13/47/74/838134774.db2.gz	ZJEXIIRDDDYZCK-UHFFFAOYSA-N	-2	3	325.778	-0.379	20	0		EBADHL
CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)[C@@H](OC)C(=O)[O-]	ZINC001591280414	951127905	/nfs/dbraw/zinc/12/79/05/951127905.db2.gz	RKTDDCHUBVUPMC-GMSGAONNSA-N	-2	3	326.309	-0.256	20	0		EBADHL
CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@@H](OC)C(=O)[O-]	ZINC001591280414	951127912	/nfs/dbraw/zinc/12/79/12/951127912.db2.gz	RKTDDCHUBVUPMC-GMSGAONNSA-N	-2	3	326.309	-0.256	20	0		EBADHL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1ncn[nH]1	ZINC001594888373	954484466	/nfs/dbraw/zinc/48/44/66/954484466.db2.gz	CCOVJRZSPDPWOQ-RCOVLWMOSA-N	-2	3	349.269	-0.530	20	0		EBADHL
Cc1nc2c(c(=O)[n-]1)CN(S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C2	ZINC001594460330	959449200	/nfs/dbraw/zinc/44/92/00/959449200.db2.gz	GUHMWTCBZYVQDK-JTQLQIEISA-N	-2	3	328.350	-0.400	20	0		EBADHL
C[C@](O)(C[N-]S(=O)(=O)c1cccc(Br)n1)C(=O)[O-]	ZINC001573636287	959594179	/nfs/dbraw/zinc/59/41/79/959594179.db2.gz	QQONJODLMVSPBY-VIFPVBQESA-N	-2	3	339.167	-0.042	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N(CC(=O)[O-])C(C)C	ZINC001594499319	959771686	/nfs/dbraw/zinc/77/16/86/959771686.db2.gz	NWBNBEBVAQJHDG-UHFFFAOYSA-N	-2	3	333.366	-0.109	20	0		EBADHL
C[C@H](O)[C@H](O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001603266260	972458102	/nfs/dbraw/zinc/45/81/02/972458102.db2.gz	SMLIRDXHBPNLLQ-KDXUFGMBSA-N	-2	3	328.287	-0.676	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-]	ZINC001571216459	962507700	/nfs/dbraw/zinc/50/77/00/962507700.db2.gz	SHVXFAMUIHLWSO-ZETCQYMHSA-N	-2	3	334.281	-0.362	20	0		EBADHL
O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1	ZINC001571216927	962515191	/nfs/dbraw/zinc/51/51/91/962515191.db2.gz	COOYLRPUQKYIHX-XKNYDFJKSA-N	-2	3	334.332	-0.473	20	0		EBADHL
O=C([O-])CN1CCC[C@@H](C(=O)N2CCc3c(=O)[n-]cnc3C2)C1=O	ZINC001574719257	962750717	/nfs/dbraw/zinc/75/07/17/962750717.db2.gz	JDVNWQXQLZYFQN-SNVBAGLBSA-N	-2	3	334.332	-0.610	20	0		EBADHL
O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(O)cc1[O-]	ZINC000316741090	964048379	/nfs/dbraw/zinc/04/83/79/964048379.db2.gz	OYXIMQNMQUWYCF-QMMMGPOBSA-N	-2	3	329.330	-0.188	20	0		EBADHL
CC[C@H](C(=O)[O-])N(C)C(=O)C[N-]S(=O)(=O)c1c(C)noc1C	ZINC001603492202	973435615	/nfs/dbraw/zinc/43/56/15/973435615.db2.gz	JGHQIROIJPCEKB-SECBINFHSA-N	-2	3	333.366	-0.109	20	0		EBADHL
O=C([O-])C(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC001605699617	974125354	/nfs/dbraw/zinc/12/53/54/974125354.db2.gz	WVZXIUGBNRSVEM-UHFFFAOYSA-N	-2	3	341.750	-0.123	20	0		EBADHL
C[C@@H](CCNc1ccnc(C(=O)[O-])n1)NC(=O)c1cnc[n-]c1=O	ZINC001592530593	978399346	/nfs/dbraw/zinc/39/93/46/978399346.db2.gz	JSIJZZUYPALUJL-QMMMGPOBSA-N	-2	3	332.320	-0.287	20	0		EBADHL
C[C@@H](CN(C)c1ncc(C(=O)[O-])cn1)NC(=O)c1cnc[n-]c1=O	ZINC001592593992	978528052	/nfs/dbraw/zinc/52/80/52/978528052.db2.gz	PFXCHYMTHFOSLO-QMMMGPOBSA-N	-2	3	332.320	-0.075	20	0		EBADHL
C[C@@H](CNC(=O)c1cnc[n-]c1=O)N(C)c1ccnc(C(=O)[O-])n1	ZINC001592692689	979144375	/nfs/dbraw/zinc/14/43/75/979144375.db2.gz	YOZGKSMISNIRIO-QMMMGPOBSA-N	-2	3	332.320	-0.075	20	0		EBADHL
CN(C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597984772	990073794	/nfs/dbraw/zinc/07/37/94/990073794.db2.gz	ZBWAENMXVQAZJS-OLQVQODUSA-N	-2	3	349.269	-0.239	20	0		EBADHL
CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001598614549	993853177	/nfs/dbraw/zinc/85/31/77/993853177.db2.gz	PDDRKRZYRSOQHH-QMMMGPOBSA-N	-2	3	334.423	-0.635	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)NCCF	ZINC001593348121	994964456	/nfs/dbraw/zinc/96/44/56/994964456.db2.gz	XLPQEQZANVFRJE-YFKPBYRVSA-N	-2	3	325.343	-0.406	20	0		EBADHL
COC(=O)C1([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)CC(CO)C1	ZINC001598726221	995521620	/nfs/dbraw/zinc/52/16/20/995521620.db2.gz	XZUKMSOZTUOVOT-UHFFFAOYSA-N	-2	3	349.405	-0.135	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)[O-]	ZINC001599178225	996894220	/nfs/dbraw/zinc/89/42/20/996894220.db2.gz	LYWCDVWDKDASRE-YFKPBYRVSA-N	-2	3	342.171	-0.440	20	0		EBADHL
CO[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@@H](C(=O)[O-])C1	ZINC001599120793	997734973	/nfs/dbraw/zinc/73/49/73/997734973.db2.gz	QYNONJPBLIOWEF-MWLCHTKSSA-N	-2	3	332.320	-0.034	20	0		EBADHL
CO[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@@H](C(=O)[O-])C1	ZINC001599120793	997734982	/nfs/dbraw/zinc/73/49/82/997734982.db2.gz	QYNONJPBLIOWEF-MWLCHTKSSA-N	-2	3	332.320	-0.034	20	0		EBADHL
Cc1n[nH]c(C(=O)NC2CN(CCC[N-]C(=O)C(F)(F)F)C2)c1[O-]	ZINC001481553280	1126012455	/nfs/dbraw/zinc/01/24/55/1126012455.db2.gz	GNRIQBLOJWPCHT-UHFFFAOYSA-N	-2	3	349.313	-0.094	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001484753742	1126630141	/nfs/dbraw/zinc/63/01/41/1126630141.db2.gz	OXEHQMZMXOBFAG-UHFFFAOYSA-N	-2	3	335.368	-0.092	20	0		EBADHL
O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1	ZINC001413772577	1130279921	/nfs/dbraw/zinc/27/99/21/1130279921.db2.gz	PCTCJKYXHFNSDK-SSDOTTSWSA-N	-2	3	337.365	-0.507	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2SC(=O)[N-]C2=O)s1	ZINC001260708537	1130546230	/nfs/dbraw/zinc/54/62/30/1130546230.db2.gz	SJYWFGXTWJOVSR-ZCFIWIBFSA-N	-2	3	336.376	-0.311	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)n[n-]1	ZINC001362132156	1131522390	/nfs/dbraw/zinc/52/23/90/1131522390.db2.gz	IPJQBLNYROVNFH-UHFFFAOYSA-N	-2	3	336.352	-0.153	20	0		EBADHL
COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cnnn1C	ZINC000600654834	376479156	/nfs/dbraw/zinc/47/91/56/376479156.db2.gz	HCRGTIGZAGTHRR-UHFFFAOYSA-N	-2	3	343.321	-0.483	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c(F)c1	ZINC000569439715	376433531	/nfs/dbraw/zinc/43/35/31/376433531.db2.gz	GICIAGBFVLNITK-LBPRGKRZSA-N	-2	3	335.309	-0.274	20	0		EBADHL
CCOC[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-]	ZINC000565056655	376893496	/nfs/dbraw/zinc/89/34/96/376893496.db2.gz	SKGUMBXYDFFXEW-SSDOTTSWSA-N	-2	3	337.379	-0.131	20	0		EBADHL
C[C@H](CN(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000570331619	377233035	/nfs/dbraw/zinc/23/30/35/377233035.db2.gz	FXIONSCXFGHWKK-ZCFIWIBFSA-N	-2	3	348.153	-0.110	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-][C@@H](CCC(=O)OC)C(=O)[O-])nc1C	ZINC000318172353	377261286	/nfs/dbraw/zinc/26/12/86/377261286.db2.gz	AWGQUBKFXOFJBD-VIFPVBQESA-N	-2	3	333.366	-0.104	20	0		EBADHL
COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000108444208	377401139	/nfs/dbraw/zinc/40/11/39/377401139.db2.gz	FWDNEXAWPRHRDC-YFKPBYRVSA-N	-3	3	337.331	-0.259	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000364423001	377608594	/nfs/dbraw/zinc/60/85/94/377608594.db2.gz	VCRIHFISFOLZOJ-APPZFPTMSA-N	-2	3	347.349	-0.551	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000364423001	377608600	/nfs/dbraw/zinc/60/86/00/377608600.db2.gz	VCRIHFISFOLZOJ-APPZFPTMSA-N	-2	3	347.349	-0.551	20	0		EBADHL
CC[C@@H](C)[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000339350006	378906274	/nfs/dbraw/zinc/90/62/74/378906274.db2.gz	UPXZSZHIQRSTRG-PELKAZGASA-N	-2	3	346.409	-0.378	20	0		EBADHL
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C	ZINC000270424354	379450175	/nfs/dbraw/zinc/45/01/75/379450175.db2.gz	GKRPCQJRPDVRCH-LURJTMIESA-N	-2	3	342.333	-0.824	20	0		EBADHL
C[C@H](CC(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C	ZINC000270424355	379450521	/nfs/dbraw/zinc/45/05/21/379450521.db2.gz	GKRPCQJRPDVRCH-ZCFIWIBFSA-N	-2	3	342.333	-0.824	20	0		EBADHL
COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)s1	ZINC000274870875	379719010	/nfs/dbraw/zinc/71/90/10/379719010.db2.gz	AMXFMTKDGAPFJV-LDWIPMOCSA-N	-2	3	337.375	-0.424	20	0		EBADHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-]	ZINC000274875140	379720835	/nfs/dbraw/zinc/72/08/35/379720835.db2.gz	BLUISQMTVVWLMY-XRGYYRRGSA-N	-2	3	339.167	-0.044	20	0		EBADHL
COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])s1	ZINC000274904479	379722046	/nfs/dbraw/zinc/72/20/46/379722046.db2.gz	IXMKVBVVCGKKFO-RXMQYKEDSA-N	-2	3	339.347	-0.733	20	0		EBADHL
COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-]	ZINC000274962583	379727000	/nfs/dbraw/zinc/72/70/00/379727000.db2.gz	VDWRWWLGNZNWIE-MRVPVSSYSA-N	-2	3	337.737	-0.150	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c1	ZINC000275064739	379733519	/nfs/dbraw/zinc/73/35/19/379733519.db2.gz	KGRSGHQZEBEHJC-SECBINFHSA-N	-2	3	335.309	-0.274	20	0		EBADHL
O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000275182040	379740376	/nfs/dbraw/zinc/74/03/76/379740376.db2.gz	DLVZAGZEJDDPMI-SECBINFHSA-N	-2	3	332.309	-0.566	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-]	ZINC000275251291	379746523	/nfs/dbraw/zinc/74/65/23/379746523.db2.gz	LGUWXYJNEIIODN-VIFPVBQESA-N	-2	3	333.366	-0.166	20	0		EBADHL
O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1	ZINC000278190980	379914933	/nfs/dbraw/zinc/91/49/33/379914933.db2.gz	GDRYAVROOJEYCB-UHFFFAOYSA-N	-2	3	340.279	-0.027	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)nc1Cl	ZINC000277504297	379892046	/nfs/dbraw/zinc/89/20/46/379892046.db2.gz	VUIMKNMNSFLSTL-UHFFFAOYSA-N	-2	3	334.745	-0.658	20	0		EBADHL
Cc1ccc(C(=O)NCCC(=O)NCCc2nc(=O)o[n-]2)c([O-])c1	ZINC000280252598	379975485	/nfs/dbraw/zinc/97/54/85/379975485.db2.gz	ZMHDBMDROFOELW-UHFFFAOYSA-N	-2	3	334.332	-0.144	20	0		EBADHL
CO[C@]1(C(=O)[O-])CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000630253919	380023888	/nfs/dbraw/zinc/02/38/88/380023888.db2.gz	ZMGYZRDRIYWYOD-GFCCVEGCSA-N	-2	3	348.402	-0.272	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCCOCC(=O)[O-]	ZINC000630262714	380024422	/nfs/dbraw/zinc/02/44/22/380024422.db2.gz	PNQBADOUGZTFCK-MRVPVSSYSA-N	-2	3	349.365	-0.824	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])c(C)o1	ZINC000547896189	380169409	/nfs/dbraw/zinc/16/94/09/380169409.db2.gz	FKQYIDXUVHBZOQ-ZETCQYMHSA-N	-3	3	349.317	-0.172	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c1	ZINC000548198048	380188856	/nfs/dbraw/zinc/18/88/56/380188856.db2.gz	XZQXBDIHCCBOIP-SNVBAGLBSA-N	-2	3	335.309	-0.274	20	0		EBADHL
CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c1	ZINC000548207680	380190066	/nfs/dbraw/zinc/19/00/66/380190066.db2.gz	LKGVBQSEOLXJRW-JTQLQIEISA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCOCC(=O)[O-]	ZINC000547615438	380151947	/nfs/dbraw/zinc/15/19/47/380151947.db2.gz	MYOSLWMJTASZGT-UHFFFAOYSA-N	-2	3	335.309	-0.008	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1	ZINC000548526860	380211695	/nfs/dbraw/zinc/21/16/95/380211695.db2.gz	LPNLKAFKJIYJEW-UHFFFAOYSA-N	-2	3	326.252	-0.417	20	0		EBADHL
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCc1n[nH]c(=O)[n-]1	ZINC000358945926	380242361	/nfs/dbraw/zinc/24/23/61/380242361.db2.gz	GPIQVDDHYVBODG-UHFFFAOYSA-N	-2	3	330.304	-0.368	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000358957511	380242833	/nfs/dbraw/zinc/24/28/33/380242833.db2.gz	VURMQSFNYDYPKR-LURJTMIESA-N	-2	3	344.353	-0.902	20	0		EBADHL
CN(C[C@@H](O)CNC(=O)c1cncc([O-])c1)C(=O)c1cncc([O-])c1	ZINC000615215166	380294208	/nfs/dbraw/zinc/29/42/08/380294208.db2.gz	IJPLESQWDYWUIK-AWEZNQCLSA-N	-2	3	346.343	-0.249	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)c2ccn(C)n2)C1=O	ZINC000577221243	380812004	/nfs/dbraw/zinc/81/20/04/380812004.db2.gz	JQECBCWAAFBDKQ-GXSJLCMTSA-N	-2	3	344.393	-0.592	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H](C(=O)[O-])C2)cn1C	ZINC000261751776	154200513	/nfs/dbraw/zinc/20/05/13/154200513.db2.gz	HIKBUPMHGVQLMD-SNVBAGLBSA-N	-2	3	344.393	-0.670	20	0		EBADHL
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000262080410	154211834	/nfs/dbraw/zinc/21/18/34/154211834.db2.gz	AVVXFWWMFNQZHN-RKDXNWHRSA-N	-2	3	348.402	-0.273	20	0		EBADHL
O=C([O-])C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1	ZINC000262431916	154232179	/nfs/dbraw/zinc/23/21/79/154232179.db2.gz	OLJCXCGGPFHUCG-UHFFFAOYSA-N	-2	3	348.402	-0.166	20	0		EBADHL
C[C@]1(c2cccc(C(=O)N3CCOC[C@H]3C(=O)[O-])c2)NC(=O)[N-]C1=O	ZINC000262748523	154246253	/nfs/dbraw/zinc/24/62/53/154246253.db2.gz	IEYKWQJNCWHFCM-MEDUHNTESA-N	-2	3	347.327	-0.333	20	0		EBADHL
CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-]	ZINC000263081206	154253187	/nfs/dbraw/zinc/25/31/87/154253187.db2.gz	HSFLHRBLAXAJJC-OCCSQVGLSA-N	-2	3	331.390	-0.001	20	0		EBADHL
COCCN(CC(=O)[O-])C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1	ZINC000263298229	154257764	/nfs/dbraw/zinc/25/77/64/154257764.db2.gz	YPUKNNQQKXVZEK-INIZCTEOSA-N	-2	3	349.343	-0.086	20	0		EBADHL
COC[C@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-]	ZINC000263494754	154259015	/nfs/dbraw/zinc/25/90/15/154259015.db2.gz	XOJSBWPVYDQDEA-NSHDSACASA-N	-2	3	335.316	-0.704	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cn1	ZINC000358388857	157240938	/nfs/dbraw/zinc/24/09/38/157240938.db2.gz	NOXBJKDXEDVQSI-MRVPVSSYSA-N	-2	3	339.381	-0.622	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cn1	ZINC000358388857	157240942	/nfs/dbraw/zinc/24/09/42/157240942.db2.gz	NOXBJKDXEDVQSI-MRVPVSSYSA-N	-2	3	339.381	-0.622	20	0		EBADHL
CC[C@H](C(=O)[O-])N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000653341088	419253458	/nfs/dbraw/zinc/25/34/58/419253458.db2.gz	ZFXQVTIBDVXHLT-SECBINFHSA-N	-2	3	332.382	-0.672	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000364400513	419205691	/nfs/dbraw/zinc/20/56/91/419205691.db2.gz	PGXUOSJYHYVCFK-MRVPVSSYSA-N	-2	3	347.349	-0.549	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000364400513	419205694	/nfs/dbraw/zinc/20/56/94/419205694.db2.gz	PGXUOSJYHYVCFK-MRVPVSSYSA-N	-2	3	347.349	-0.549	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N(CC(=O)[O-])CC2CC2)cn1C	ZINC000653325794	419218020	/nfs/dbraw/zinc/21/80/20/419218020.db2.gz	MNJHCCKUUXFQPD-UHFFFAOYSA-N	-2	3	344.393	-0.670	20	0		EBADHL
CO[C@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000262736903	419309351	/nfs/dbraw/zinc/30/93/51/419309351.db2.gz	DJPRSDUQQJNRCE-JGVFFNPUSA-N	-2	3	336.391	-0.369	20	0		EBADHL
CO[C@H](CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000262736901	419309920	/nfs/dbraw/zinc/30/99/20/419309920.db2.gz	DJPRSDUQQJNRCE-HTQZYQBOSA-N	-2	3	336.391	-0.369	20	0		EBADHL
Cc1onc(N)c1S(=O)(=O)[N-][C@H](CN1CCCCC1)C(=O)[O-]	ZINC000576231627	420660823	/nfs/dbraw/zinc/66/08/23/420660823.db2.gz	NWODZRAPULIJMU-SECBINFHSA-N	-2	3	332.382	-0.217	20	0		EBADHL
CS(=O)(=O)[N-]c1cncc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1	ZINC000507502291	420673211	/nfs/dbraw/zinc/67/32/11/420673211.db2.gz	BVPUICJHXPDTNQ-UHFFFAOYSA-N	-2	3	340.365	-0.361	20	0		EBADHL
CCn1nc(C)c(C[N-]S(=O)(=O)c2c(C(=O)[O-])cnn2C)n1	ZINC000530148390	420779898	/nfs/dbraw/zinc/77/98/98/420779898.db2.gz	FSQCOVBUCCXGMV-UHFFFAOYSA-N	-2	3	328.354	-0.483	20	0		EBADHL
C[C@H](CNC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O)C(=O)[O-]	ZINC000655882234	420857742	/nfs/dbraw/zinc/85/77/42/420857742.db2.gz	VCFUHQFENVGGAP-NUPCCRGMSA-N	-2	3	326.353	-0.131	20	0		EBADHL
Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C2	ZINC000656180353	420882800	/nfs/dbraw/zinc/88/28/00/420882800.db2.gz	ICGJFYFWRLLLGV-ZCFIWIBFSA-N	-2	3	326.338	-0.928	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NCC2(C(=O)[O-])CCC2)cn1C	ZINC000659784980	421030835	/nfs/dbraw/zinc/03/08/35/421030835.db2.gz	LLSLPGXHPSNXHP-UHFFFAOYSA-N	-2	3	344.393	-0.622	20	0		EBADHL
CCC(CC)(CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000424254557	265054444	/nfs/dbraw/zinc/05/44/44/265054444.db2.gz	SVIDAULMFSGYLJ-UHFFFAOYSA-N	-2	3	346.409	-0.294	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC(C(=O)[O-])CC2)cn1C	ZINC000427333448	265105558	/nfs/dbraw/zinc/10/55/58/265105558.db2.gz	ZKNUQAMTASPDKO-UHFFFAOYSA-N	-2	3	344.393	-0.670	20	0		EBADHL
COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000436992996	265243815	/nfs/dbraw/zinc/24/38/15/265243815.db2.gz	ZSQNGCCHSAMHTR-UHFFFAOYSA-N	-2	3	348.315	-0.238	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)s1	ZINC000650419080	545684778	/nfs/dbraw/zinc/68/47/78/545684778.db2.gz	JCFLWTQKGVTAJB-SNVBAGLBSA-N	-2	3	335.363	-0.377	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1	ZINC000676218804	546200091	/nfs/dbraw/zinc/20/00/91/546200091.db2.gz	ZNCPWLQFJDYWML-SNVBAGLBSA-N	-2	3	344.393	-0.588	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)[N-]O[C@@H]2CCCCO2)cn1C	ZINC000725898266	582595755	/nfs/dbraw/zinc/59/57/55/582595755.db2.gz	LPTFOANOHJMKTB-GFCCVEGCSA-N	-2	3	332.382	-0.419	20	0		EBADHL
C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000736540510	582939291	/nfs/dbraw/zinc/93/92/91/582939291.db2.gz	ITYVVCNYKQRENV-JQWIXIFHSA-N	-2	3	349.391	-0.510	20	0		EBADHL
CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000737223229	582997513	/nfs/dbraw/zinc/99/75/13/582997513.db2.gz	XZAPCFYEWYKRQA-UHFFFAOYSA-N	-2	3	340.379	-0.415	20	0		EBADHL
O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000737964574	583035528	/nfs/dbraw/zinc/03/55/28/583035528.db2.gz	XIKFKQHKICDTQP-LLVKDONJSA-N	-2	3	337.361	-0.356	20	0		EBADHL
O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000737964574	583035531	/nfs/dbraw/zinc/03/55/31/583035531.db2.gz	XIKFKQHKICDTQP-LLVKDONJSA-N	-2	3	337.361	-0.356	20	0		EBADHL
O=C(c1sccc1-c1nnn[n-]1)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000738289087	583047374	/nfs/dbraw/zinc/04/73/74/583047374.db2.gz	GHGWRRWDFRVCRS-ZETCQYMHSA-N	-2	3	333.337	-0.345	20	0		EBADHL
O=C(c1sccc1-c1nnn[n-]1)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000738289087	583047375	/nfs/dbraw/zinc/04/73/75/583047375.db2.gz	GHGWRRWDFRVCRS-ZETCQYMHSA-N	-2	3	333.337	-0.345	20	0		EBADHL
O=C(c1sccc1-c1nn[n-]n1)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000738289087	583047377	/nfs/dbraw/zinc/04/73/77/583047377.db2.gz	GHGWRRWDFRVCRS-ZETCQYMHSA-N	-2	3	333.337	-0.345	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000743250075	583084794	/nfs/dbraw/zinc/08/47/94/583084794.db2.gz	VAQDWTDEFDFZGN-UHFFFAOYSA-N	-3	3	334.281	-0.997	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)[N-]OC2CCOCC2)cn1C	ZINC000772707637	583364530	/nfs/dbraw/zinc/36/45/30/583364530.db2.gz	VRMPFDWEQGOSQY-UHFFFAOYSA-N	-2	3	332.382	-0.766	20	0		EBADHL
O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(S(=O)(=O)[N-]CCO)s1	ZINC000774959984	583393093	/nfs/dbraw/zinc/39/30/93/583393093.db2.gz	FKKSIRJUYXIPCR-UHFFFAOYSA-N	-2	3	348.362	-0.801	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)c2ccccc2)c1	ZINC000776599126	583407167	/nfs/dbraw/zinc/40/71/67/583407167.db2.gz	FQTOWOBGUFYCQG-NEPJUHHUSA-N	-2	3	325.346	-0.115	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NCC(C)(C)C(=O)[O-])cn1C	ZINC000781135198	583454207	/nfs/dbraw/zinc/45/42/07/583454207.db2.gz	RRTNPXIWRXWVGJ-UHFFFAOYSA-N	-2	3	332.382	-0.766	20	0		EBADHL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1	ZINC000810075102	583682289	/nfs/dbraw/zinc/68/22/89/583682289.db2.gz	GSZRBPPOMKEQGN-UHFFFAOYSA-N	-2	3	345.337	-0.908	20	0		EBADHL
COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000821688943	583801646	/nfs/dbraw/zinc/80/16/46/583801646.db2.gz	DWRFIXBORNSLAE-UHFFFAOYSA-N	-2	3	340.365	-0.581	20	0		EBADHL
COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000821688943	583801649	/nfs/dbraw/zinc/80/16/49/583801649.db2.gz	DWRFIXBORNSLAE-UHFFFAOYSA-N	-2	3	340.365	-0.581	20	0		EBADHL
O=C(CS(=O)(=O)c1ncc[n-]1)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000823054896	583823449	/nfs/dbraw/zinc/82/34/49/583823449.db2.gz	HAZAAHKTKFMFLZ-UHFFFAOYSA-N	-2	3	347.360	-0.320	20	0		EBADHL
O=C(CS(=O)(=O)c1ncc[n-]1)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000823054896	583823451	/nfs/dbraw/zinc/82/34/51/583823451.db2.gz	HAZAAHKTKFMFLZ-UHFFFAOYSA-N	-2	3	347.360	-0.320	20	0		EBADHL
O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1cnccn1	ZINC000823078855	583823807	/nfs/dbraw/zinc/82/38/07/583823807.db2.gz	VHGHHUVUEXYAJH-UHFFFAOYSA-N	-2	3	345.344	-0.296	20	0		EBADHL
O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1cnccn1	ZINC000823078855	583823808	/nfs/dbraw/zinc/82/38/08/583823808.db2.gz	VHGHHUVUEXYAJH-UHFFFAOYSA-N	-2	3	345.344	-0.296	20	0		EBADHL
C[C@@H](O)[C@H](NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-]	ZINC000824680255	583848851	/nfs/dbraw/zinc/84/88/51/583848851.db2.gz	ZWRSYRUKRVXFQJ-XCBNKYQSSA-N	-2	3	341.349	-0.880	20	0		EBADHL
C[C@@H](O)[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-]	ZINC000824680255	583848854	/nfs/dbraw/zinc/84/88/54/583848854.db2.gz	ZWRSYRUKRVXFQJ-XCBNKYQSSA-N	-2	3	341.349	-0.880	20	0		EBADHL
C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000824731071	583849344	/nfs/dbraw/zinc/84/93/44/583849344.db2.gz	RUKKMVDLVGKUGW-CABZTGNLSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000824731071	583849345	/nfs/dbraw/zinc/84/93/45/583849345.db2.gz	RUKKMVDLVGKUGW-CABZTGNLSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000824731073	583849448	/nfs/dbraw/zinc/84/94/48/583849448.db2.gz	RUKKMVDLVGKUGW-JOYOIKCWSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000824731073	583849451	/nfs/dbraw/zinc/84/94/51/583849451.db2.gz	RUKKMVDLVGKUGW-JOYOIKCWSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000824744942	583849954	/nfs/dbraw/zinc/84/99/54/583849954.db2.gz	JSLNDWYDPRMUSS-RFAUZJTJSA-N	-2	3	347.331	-0.006	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000824744942	583849955	/nfs/dbraw/zinc/84/99/55/583849955.db2.gz	JSLNDWYDPRMUSS-RFAUZJTJSA-N	-2	3	347.331	-0.006	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000824744943	583849967	/nfs/dbraw/zinc/84/99/67/583849967.db2.gz	JSLNDWYDPRMUSS-VFZGTOFNSA-N	-2	3	347.331	-0.006	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000824744943	583849968	/nfs/dbraw/zinc/84/99/68/583849968.db2.gz	JSLNDWYDPRMUSS-VFZGTOFNSA-N	-2	3	347.331	-0.006	20	0		EBADHL
CCS(=O)(=O)NCC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000825663463	583865209	/nfs/dbraw/zinc/86/52/09/583865209.db2.gz	PQCPFRLBWSFUJK-UHFFFAOYSA-N	-2	3	326.338	-0.550	20	0		EBADHL
C[C@@H](C(=O)NCC(=O)[O-])N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000826000448	583873385	/nfs/dbraw/zinc/87/33/85/583873385.db2.gz	PFRQTGQWADDLBS-NSHDSACASA-N	-2	3	335.360	-0.261	20	0		EBADHL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000826102331	583878287	/nfs/dbraw/zinc/87/82/87/583878287.db2.gz	XIPKRISJMHDQFC-RDOZXCAGSA-N	-2	3	340.336	-0.700	20	0		EBADHL
Cn1cc(C[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)nn1	ZINC000826361592	583894363	/nfs/dbraw/zinc/89/43/63/583894363.db2.gz	FBNPBEAQTCAREN-UHFFFAOYSA-N	-2	3	338.328	-0.387	20	0		EBADHL
NC(=O)CO[N-]C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1	ZINC000826391238	583896840	/nfs/dbraw/zinc/89/68/40/583896840.db2.gz	BSJITRWVTAOEES-UHFFFAOYSA-N	-2	3	347.335	-0.491	20	0		EBADHL
NC(=O)CO[N-]C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1	ZINC000826391238	583896841	/nfs/dbraw/zinc/89/68/41/583896841.db2.gz	BSJITRWVTAOEES-UHFFFAOYSA-N	-2	3	347.335	-0.491	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826449666	583902421	/nfs/dbraw/zinc/90/24/21/583902421.db2.gz	DQFVKHDALVFYJF-QMMMGPOBSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826449666	583902423	/nfs/dbraw/zinc/90/24/23/583902423.db2.gz	DQFVKHDALVFYJF-QMMMGPOBSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826450005	583902671	/nfs/dbraw/zinc/90/26/71/583902671.db2.gz	SKDKXVYZSLRMKC-ZETCQYMHSA-N	-2	3	326.338	-0.709	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826450005	583902673	/nfs/dbraw/zinc/90/26/73/583902673.db2.gz	SKDKXVYZSLRMKC-ZETCQYMHSA-N	-2	3	326.338	-0.709	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826450098	583902779	/nfs/dbraw/zinc/90/27/79/583902779.db2.gz	WYGLZKCHXZFZEP-ZETCQYMHSA-N	-2	3	326.338	-0.709	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826450098	583902781	/nfs/dbraw/zinc/90/27/81/583902781.db2.gz	WYGLZKCHXZFZEP-ZETCQYMHSA-N	-2	3	326.338	-0.709	20	0		EBADHL
C[C@@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-]	ZINC000827553298	583923610	/nfs/dbraw/zinc/92/36/10/583923610.db2.gz	MIEZBPVFFPOFLH-VHSXEESVSA-N	-2	3	344.393	-0.444	20	0		EBADHL
CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)N1CCOCC1	ZINC000828994113	583949941	/nfs/dbraw/zinc/94/99/41/583949941.db2.gz	BZXCHCCTBMCDOP-SECBINFHSA-N	-2	3	346.361	-0.107	20	0		EBADHL
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CN2CC(=O)[N-]C2=O)C1	ZINC000830819747	583971097	/nfs/dbraw/zinc/97/10/97/583971097.db2.gz	AYJMNJCDERFSGZ-LLVKDONJSA-N	-2	3	336.270	-0.792	20	0		EBADHL
COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(Cl)n1	ZINC000831073072	583975914	/nfs/dbraw/zinc/97/59/14/583975914.db2.gz	NANCSFWXQVGGFR-YFKPBYRVSA-N	-2	3	325.730	-0.632	20	0		EBADHL
COC(=O)[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@@H](C)C(=O)[O-]	ZINC000831215227	583979508	/nfs/dbraw/zinc/97/95/08/583979508.db2.gz	MQKZOCUOZCDXJY-WHFBIAKZSA-N	-3	3	346.233	-0.476	20	0		EBADHL
Cc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(=O)n(C)c1	ZINC000832899872	584002518	/nfs/dbraw/zinc/00/25/18/584002518.db2.gz	SZNZPTMKLCVSRI-UHFFFAOYSA-N	-2	3	326.334	-0.224	20	0		EBADHL
Cc1cc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c(C(=O)[O-])[nH]1	ZINC000832892921	584002524	/nfs/dbraw/zinc/00/25/24/584002524.db2.gz	OHIYIEGLAZRNLC-UHFFFAOYSA-N	-2	3	341.349	-0.328	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC2(C(=O)[O-])CCCC2)c1	ZINC000833057886	584003656	/nfs/dbraw/zinc/00/36/56/584003656.db2.gz	NPAOQCYKVWWTMB-UHFFFAOYSA-N	-2	3	344.393	-0.540	20	0		EBADHL
NC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)on1	ZINC000833084655	584005139	/nfs/dbraw/zinc/00/51/39/584005139.db2.gz	LPGXQRXALZCPSJ-UHFFFAOYSA-N	-2	3	325.302	-0.050	20	0		EBADHL
CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1	ZINC000833657913	584013319	/nfs/dbraw/zinc/01/33/19/584013319.db2.gz	UWTVXQBSVZIXHD-QMMMGPOBSA-N	-2	3	345.381	-0.502	20	0		EBADHL
O=C([O-])c1ccc(OC[C@@H](O)CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1	ZINC000833782954	584016267	/nfs/dbraw/zinc/01/62/67/584016267.db2.gz	UKIJXSBECSCFEY-AAEUAGOBSA-N	-2	3	349.343	-0.640	20	0		EBADHL
O=C([O-])N1CCOC[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000834042414	584025324	/nfs/dbraw/zinc/02/53/24/584025324.db2.gz	UMZWVRBRKITPTG-GFCCVEGCSA-N	-2	3	337.332	-0.383	20	0		EBADHL
O=C([O-])NC[C@H](C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccccc1	ZINC000834211557	584029493	/nfs/dbraw/zinc/02/94/93/584029493.db2.gz	XOUDSVUPAPMPPC-RYUDHWBXSA-N	-2	3	346.343	-0.200	20	0		EBADHL
O=C([O-])N1CC(C(=O)Oc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1	ZINC000834289923	584030695	/nfs/dbraw/zinc/03/06/95/584030695.db2.gz	PBOVDCMYXJQVQR-NSHDSACASA-N	-2	3	333.300	-0.048	20	0		EBADHL
Cc1cc(F)c(S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)cc1C(=O)[O-]	ZINC000846768052	584131094	/nfs/dbraw/zinc/13/10/94/584131094.db2.gz	VWJXAMILANNYKK-ZDUSSCGKSA-N	-2	3	346.336	-0.245	20	0		EBADHL
O=C([O-])[C@H](O)C[N-]S(=O)(=O)c1c(Cl)nc2sccn21	ZINC000849221587	584166858	/nfs/dbraw/zinc/16/68/58/584166858.db2.gz	SBFLMUZWDASRTQ-SCSAIBSYSA-N	-2	3	325.755	-0.227	20	0		EBADHL
CCNS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000853231782	584226023	/nfs/dbraw/zinc/22/60/23/584226023.db2.gz	UFACDOVXURKQRL-UHFFFAOYSA-N	-2	3	340.379	-0.496	20	0		EBADHL
CC(C)[C@@H](CO)O[N-]C(=O)[C@@H]1C(C)[C@H]1C(=O)[N-]O[C@H](CO)C(C)C	ZINC000854828314	584251063	/nfs/dbraw/zinc/25/10/63/584251063.db2.gz	WHZINXYXUZCWHE-AAVRWANBSA-N	-2	3	346.424	-0.002	20	0		EBADHL
O=C([N-]C/C=C/CO)C(F)(F)C(F)(F)C(=O)[N-]C/C=C/CO	ZINC000855404089	584258073	/nfs/dbraw/zinc/25/80/73/584258073.db2.gz	QHGUQQIIMMSVTR-ZPUQHVIOSA-N	-2	3	328.262	-0.414	20	0		EBADHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCCN2C(=O)CCC2=O)o1	ZINC000740175350	599779686	/nfs/dbraw/zinc/77/96/86/599779686.db2.gz	PNWFPPZSUKDJPF-UHFFFAOYSA-N	-2	3	330.318	-0.205	20	0		EBADHL
CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000050530949	649949648	/nfs/dbraw/zinc/94/96/48/649949648.db2.gz	WCFKNYTURQHODK-UHFFFAOYSA-N	-2	3	326.378	-0.158	20	0		EBADHL
O=C([N-][N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)NCC1CC1	ZINC000065832751	649964235	/nfs/dbraw/zinc/96/42/35/649964235.db2.gz	XHFXQDGFDKLGCF-UHFFFAOYSA-N	-2	3	337.365	-0.435	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C(=O)c2cnc[n-]c2=O)c1[O-]	ZINC000944091725	652673580	/nfs/dbraw/zinc/67/35/80/652673580.db2.gz	MJXINFNHMWSJBV-SECBINFHSA-N	-2	3	346.347	-0.046	20	0		EBADHL
C[C@@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)CCN1Cc1n[nH]c(=O)[n-]1	ZINC000947433858	653401867	/nfs/dbraw/zinc/40/18/67/653401867.db2.gz	NBQANFKFUHGWEI-RKDXNWHRSA-N	-2	3	333.352	-0.211	20	0		EBADHL
O=C(NC[C@@H]1CCN1C(=O)c1cnc[n-]c1=O)c1ncccc1[O-]	ZINC000949538749	653923850	/nfs/dbraw/zinc/92/38/50/653923850.db2.gz	QDKBKEMVCBEDCX-VIFPVBQESA-N	-2	3	329.316	-0.073	20	0		EBADHL
O=C(NC[C@H]1CCN1C(=O)c1cnc[n-]c1=O)c1ncccc1[O-]	ZINC000949538748	653923969	/nfs/dbraw/zinc/92/39/69/653923969.db2.gz	QDKBKEMVCBEDCX-SECBINFHSA-N	-2	3	329.316	-0.073	20	0		EBADHL
O=C(c1cnc(C2CC2)[n-]c1=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000951372483	654106278	/nfs/dbraw/zinc/10/62/78/654106278.db2.gz	NLQSDGCKGGFKGF-UHFFFAOYSA-N	-2	3	345.363	-0.159	20	0		EBADHL
CN(C(=O)c1ncccc1[O-])C1CN(C(=O)c2cnc[n-]c2=O)C1	ZINC000954127709	719570810	/nfs/dbraw/zinc/57/08/10/719570810.db2.gz	DIBDJGKXXGGSQK-UHFFFAOYSA-N	-2	3	329.316	-0.121	20	0		EBADHL
Cc1n[nH]c(C(=O)NCC2CC(NC(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000992039125	725706591	/nfs/dbraw/zinc/70/65/91/725706591.db2.gz	FOMGRQSKDNIKQV-UHFFFAOYSA-N	-2	3	346.347	-0.142	20	0		EBADHL
CC1(C)CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnc[n-]c1=O	ZINC000974707691	726055641	/nfs/dbraw/zinc/05/56/41/726055641.db2.gz	DNWMZOUBZHNZIR-SECBINFHSA-N	-2	3	333.352	-0.354	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c1[O-]	ZINC000994882578	726108888	/nfs/dbraw/zinc/10/88/88/726108888.db2.gz	VZSYBZLHPBFAQQ-DTWKUNHWSA-N	-2	3	335.368	-0.064	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001003475585	726676090	/nfs/dbraw/zinc/67/60/90/726676090.db2.gz	PAYCVBPCPBBWNO-UHFFFAOYSA-N	-2	3	333.352	-0.291	20	0		EBADHL
O=C(NC[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc[n-]c1=O	ZINC001023440420	729690178	/nfs/dbraw/zinc/69/01/78/729690178.db2.gz	DRBHCIJMKGFCTF-VIFPVBQESA-N	-2	3	333.352	-0.352	20	0		EBADHL
O=C(c1ncccc1[O-])N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001051566746	735238516	/nfs/dbraw/zinc/23/85/16/735238516.db2.gz	RIVVQDLXFZZQMM-VIFPVBQESA-N	-2	3	334.336	-0.758	20	0		EBADHL
C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC000979273993	805253204	/nfs/dbraw/zinc/25/32/04/805253204.db2.gz	JZSQMBBUIRVOSE-MWLCHTKSSA-N	-2	3	348.363	-0.370	20	0		EBADHL
O=C(N[C@]12CCC[C@@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cnc[n-]c1=O	ZINC000991271412	809219114	/nfs/dbraw/zinc/21/91/14/809219114.db2.gz	PLSBHGOKLOMWRN-BONVTDFDSA-N	-2	3	345.363	-0.067	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)OCCCCP(=O)([O-])[O-])[C@@H](O)C(=O)[O-]	ZINC001225018697	811787713	/nfs/dbraw/zinc/78/77/13/811787713.db2.gz	FTAYTEYNSCQZKK-HTRCEHHLSA-N	-4	3	328.210	-0.976	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)[C@@H](O)C(=O)[O-]	ZINC001231076929	812270418	/nfs/dbraw/zinc/27/04/18/812270418.db2.gz	OSKQPJGVKJCFSV-PSASIEDQSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1cccc(-c2nnn[n-]2)c1)[C@@H](O)C(=O)[O-]	ZINC001231121917	812273600	/nfs/dbraw/zinc/27/36/00/812273600.db2.gz	PRTIGZFUWAHNNA-PSASIEDQSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1cccc(-c2nn[n-]n2)c1)[C@@H](O)C(=O)[O-]	ZINC001231121917	812273603	/nfs/dbraw/zinc/27/36/03/812273603.db2.gz	PRTIGZFUWAHNNA-PSASIEDQSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=c1nc2cn[n-]c2c(OC[C@H]2COCCOCCOCCO2)[n-]1	ZINC001233939529	812370605	/nfs/dbraw/zinc/37/06/05/812370605.db2.gz	KVBMAMASTYRGRZ-SNVBAGLBSA-N	-2	3	340.336	-0.526	20	0		EBADHL
O=S(=O)([O-])C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21	ZINC001261076069	812850601	/nfs/dbraw/zinc/85/06/01/812850601.db2.gz	ZQVSOCQPVPZMLZ-UHFFFAOYSA-N	-2	3	327.727	0.000	20	0		EBADHL
COc1cc2[n-]cc(C(=O)NCc3nnn[n-]3)c(=O)c2c(OC)c1	ZINC001143974615	830158004	/nfs/dbraw/zinc/15/80/04/830158004.db2.gz	VPXWGFGLIUUCHO-UHFFFAOYSA-N	-2	3	330.304	-0.012	20	0		EBADHL
COc1cc2[n-]cc(C(=O)NCc3nn[n-]n3)c(=O)c2c(OC)c1	ZINC001143974615	830158006	/nfs/dbraw/zinc/15/80/06/830158006.db2.gz	VPXWGFGLIUUCHO-UHFFFAOYSA-N	-2	3	330.304	-0.012	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCNC2=O)c(F)cc1F	ZINC001195187852	835195337	/nfs/dbraw/zinc/19/53/37/835195337.db2.gz	ZDCQLYFUKMKFNX-UHFFFAOYSA-N	-2	3	349.315	-0.034	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001600810073	970870401	/nfs/dbraw/zinc/87/04/01/970870401.db2.gz	TWMQSXOBFYISQN-SECBINFHSA-N	-2	3	331.350	-0.497	20	0		EBADHL
C[C@@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001573623399	947686452	/nfs/dbraw/zinc/68/64/52/947686452.db2.gz	FHNZLNZRVNEXNY-YUMQZZPRSA-N	-2	3	344.339	-0.536	20	0		EBADHL
COc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1-c1nnn[n-]1	ZINC001570947510	949576471	/nfs/dbraw/zinc/57/64/71/949576471.db2.gz	WMCJRBOJJWBYJA-UHFFFAOYSA-N	-2	3	346.307	-0.806	20	0		EBADHL
CCOC(=O)c1nnc([C@H](C)NC(=O)[C@@]2(C(=O)[O-])CCCO2)[n-]1	ZINC001591278980	951110550	/nfs/dbraw/zinc/11/05/50/951110550.db2.gz	CSGGTNFGBWHKDN-WPPNPWJKSA-N	-2	3	326.309	-0.208	20	0		EBADHL
O=C([O-])CN1CC[C@H](N2CCN(C(=O)c3ccccc3[O-])CC2)C1=O	ZINC001595073722	951617783	/nfs/dbraw/zinc/61/77/83/951617783.db2.gz	GIYQCNPTEUBEKJ-ZDUSSCGKSA-N	-2	3	347.371	-0.165	20	0		EBADHL
O=C([O-])CN1CC[C@@H](OC(=O)CNC(=O)c2ccc([O-])cc2)C1=O	ZINC001595080482	951672602	/nfs/dbraw/zinc/67/26/02/951672602.db2.gz	BNJSEWVXKHEAFS-LLVKDONJSA-N	-2	3	336.300	-0.649	20	0		EBADHL
Cn1ncc2c1nc(SCCS(=O)(=O)CC(=O)[O-])[n-]c2=O	ZINC001594585745	955995705	/nfs/dbraw/zinc/99/57/05/955995705.db2.gz	BAHRUGFPDMVVFJ-UHFFFAOYSA-N	-2	3	332.363	-0.340	20	0		EBADHL
C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1nc(C(F)(F)F)n[n-]1	ZINC001589120699	956117192	/nfs/dbraw/zinc/11/71/92/956117192.db2.gz	WCJWCIKCPMFYNP-BYPYZUCNSA-N	-2	3	333.230	-0.009	20	0		EBADHL
COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCO1	ZINC001593981443	956714618	/nfs/dbraw/zinc/71/46/18/956714618.db2.gz	XSCFUNMULCWJMP-INIZCTEOSA-N	-2	3	348.311	-0.488	20	0		EBADHL
COCCN(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1c(C)noc1C	ZINC001593996859	956901552	/nfs/dbraw/zinc/90/15/52/956901552.db2.gz	CTSOZAHOVVRFBV-UHFFFAOYSA-N	-2	3	349.365	-0.871	20	0		EBADHL
Cc1nc(C)c(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(=O)[n-]1	ZINC001594449203	959348412	/nfs/dbraw/zinc/34/84/12/959348412.db2.gz	MROAGRPIVOLWSX-JTQLQIEISA-N	-2	3	343.361	-0.948	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N(CC(=O)[O-])CC1CC1	ZINC001574443708	961431413	/nfs/dbraw/zinc/43/14/13/961431413.db2.gz	PUAZXXDMAAPJJT-UHFFFAOYSA-N	-2	3	345.377	-0.107	20	0		EBADHL
CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1=O	ZINC001571191060	962255576	/nfs/dbraw/zinc/25/55/76/962255576.db2.gz	PRAADLPCZLIYCB-MRVPVSSYSA-N	-2	3	330.366	-0.214	20	0		EBADHL
CCN1C[C@@H](C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1=O	ZINC001571191605	962264096	/nfs/dbraw/zinc/26/40/96/962264096.db2.gz	WBUNYUVMEKHLRP-MRVPVSSYSA-N	-2	3	330.366	-0.437	20	0		EBADHL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCN(C)C(=O)[O-]	ZINC001571217450	962520254	/nfs/dbraw/zinc/52/02/54/962520254.db2.gz	KFABQEVNKQXMHA-UHFFFAOYSA-N	-2	3	334.354	-0.217	20	0		EBADHL
O=C([O-])[C@H]1C[C@H]1C(=O)NC1CC2(CC(NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC001571223724	962565823	/nfs/dbraw/zinc/56/58/23/962565823.db2.gz	LAFFIARTTHSBQQ-IFVCKJSBSA-N	-2	3	335.364	-0.252	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@](C)(CO)C(=O)[O-]	ZINC001571229349	962617705	/nfs/dbraw/zinc/61/77/05/962617705.db2.gz	RIOUPMJXHSJVRF-GFCCVEGCSA-N	-2	3	335.309	-0.274	20	0		EBADHL
CN1C(=O)C[C@@H]([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC000316470702	964014854	/nfs/dbraw/zinc/01/48/54/964014854.db2.gz	NZRWOHIYEPCVQE-SNVBAGLBSA-N	-2	3	326.330	-0.439	20	0		EBADHL
COC(=O)CCN(CC(=O)[O-])C(=O)CCc1c(C)nc[n-]c1=O	ZINC001604303702	972950623	/nfs/dbraw/zinc/95/06/23/972950623.db2.gz	WWBBHPLOKQYNOV-UHFFFAOYSA-N	-2	3	325.321	-0.100	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001605448667	973523754	/nfs/dbraw/zinc/52/37/54/973523754.db2.gz	HLCZIZXXJZEIDN-KYZUINATSA-N	-2	3	331.350	-0.451	20	0		EBADHL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-][C@@H]1COc2ccccc2[C@@H]1O	ZINC001606388524	973839727	/nfs/dbraw/zinc/83/97/27/973839727.db2.gz	PGAGFMKHPUINST-MDZLAQPJSA-N	-2	3	342.373	-0.136	20	0		EBADHL
CCn1nccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[n-]c1=O	ZINC001597966651	990007301	/nfs/dbraw/zinc/00/73/01/990007301.db2.gz	XKCIQZGJZYMHPI-SSDOTTSWSA-N	-3	3	341.324	-0.477	20	0		EBADHL
CN(CCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1nc(=O)n(C)[n-]1	ZINC001598478096	992107332	/nfs/dbraw/zinc/10/73/32/992107332.db2.gz	ZQCNSVZGAQALMU-UWVGGRQHSA-N	-2	3	325.369	-0.891	20	0		EBADHL
CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cccc2n[n-]nc21)C(=O)[O-]	ZINC001599764544	992166904	/nfs/dbraw/zinc/16/69/04/992166904.db2.gz	LHXXETRFFYDMLB-TVQRCGJNSA-N	-2	3	338.345	-0.424	20	0		EBADHL
CS(C)(=O)=NS(=O)(=O)[N-][C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001599780660	992359795	/nfs/dbraw/zinc/35/97/95/992359795.db2.gz	JRRMPDKDQMRKCX-ZETCQYMHSA-N	-2	3	330.384	-0.845	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)c(C)o1	ZINC001598673267	994795710	/nfs/dbraw/zinc/79/57/10/994795710.db2.gz	KSCCJAKHRGBFSR-CYBMUJFWSA-N	-2	3	346.361	-0.283	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@H]1CN(C)CCN1C	ZINC001593347702	994959805	/nfs/dbraw/zinc/95/98/05/994959805.db2.gz	QCPDLWYCTWDJPL-RKDXNWHRSA-N	-2	3	348.450	-0.246	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)NCCF	ZINC001593348120	994964497	/nfs/dbraw/zinc/96/44/97/994964497.db2.gz	XLPQEQZANVFRJE-RXMQYKEDSA-N	-2	3	325.343	-0.406	20	0		EBADHL
COC(=O)[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CCOC1	ZINC001598701383	995227411	/nfs/dbraw/zinc/22/74/11/995227411.db2.gz	CXEKBLYYTHBZQF-HTQZYQBOSA-N	-2	3	347.349	-0.788	20	0		EBADHL
COC(=O)c1[nH]cc(C(=O)[O-])c1[N-]S(=O)(=O)N1CCOCC1	ZINC001598912997	997403301	/nfs/dbraw/zinc/40/33/01/997403301.db2.gz	PRPFKROJHOQMIJ-UHFFFAOYSA-N	-2	3	333.322	-0.512	20	0		EBADHL
CO[C@H](CS(=O)(=O)[N-]c1n[n-]c(CC(=O)[O-])n1)[C@H]1CCOC1	ZINC001599060589	999262493	/nfs/dbraw/zinc/26/24/93/999262493.db2.gz	VHHKBAHILZAAFQ-JGVFFNPUSA-N	-3	3	334.354	-0.775	20	0		EBADHL
Cc1nc(C)c(CC(=O)NC[C@H](C)N(C)Cc2n[nH]c(=O)[n-]2)c(=O)[n-]1	ZINC001485384116	1126695614	/nfs/dbraw/zinc/69/56/14/1126695614.db2.gz	RCFHMLULPKMSHT-QMMMGPOBSA-N	-2	3	349.395	-0.198	20	0		EBADHL
Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001411770388	1129376852	/nfs/dbraw/zinc/37/68/52/1129376852.db2.gz	UTOBITWDTBNQFZ-JTQLQIEISA-N	-2	3	339.377	-0.305	20	0		EBADHL
Cc1nc[n-]c(=O)c1CCC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001366547607	1133180756	/nfs/dbraw/zinc/18/07/56/1133180756.db2.gz	BTNFLLCHLUKASA-UHFFFAOYSA-N	-2	3	335.368	-0.505	20	0		EBADHL
CS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000035207871	213014317	/nfs/dbraw/zinc/01/43/17/213014317.db2.gz	CZAOWCXTSWXAJH-UHFFFAOYSA-N	-2	3	328.393	-0.726	20	0		EBADHL
C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134716020	376033857	/nfs/dbraw/zinc/03/38/57/376033857.db2.gz	CPQGDFBJLQWYDY-YFKPBYRVSA-N	-2	3	328.393	-0.447	20	0		EBADHL
C[C@H](C(=O)[O-])N(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000262729492	376937834	/nfs/dbraw/zinc/93/78/34/376937834.db2.gz	BNJQCZGTRPCOQW-RXMQYKEDSA-N	-2	3	334.126	-0.357	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1	ZINC000571490008	379186024	/nfs/dbraw/zinc/18/60/24/379186024.db2.gz	RYCAJLUMIRCEBQ-JMCQJSRRSA-N	-2	3	329.334	-0.318	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1	ZINC000571490008	379186028	/nfs/dbraw/zinc/18/60/28/379186028.db2.gz	RYCAJLUMIRCEBQ-JMCQJSRRSA-N	-2	3	329.334	-0.318	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCC1(C(=O)[O-])CC1	ZINC000621571673	379324527	/nfs/dbraw/zinc/32/45/27/379324527.db2.gz	JCQJSXGIYRMBMT-MRVPVSSYSA-N	-2	3	345.377	-0.061	20	0		EBADHL
C[C@@H](CN(C)C(=O)C[N-]S(=O)(=O)c1cccs1)c1nnn[n-]1	ZINC000273577386	379654190	/nfs/dbraw/zinc/65/41/90/379654190.db2.gz	MYXPKYCTCOHKHT-QMMMGPOBSA-N	-2	3	344.422	-0.198	20	0		EBADHL
C[C@H](CN(C)C(=O)C[N-]S(=O)(=O)c1cccs1)c1nnn[n-]1	ZINC000273577383	379654578	/nfs/dbraw/zinc/65/45/78/379654578.db2.gz	MYXPKYCTCOHKHT-MRVPVSSYSA-N	-2	3	344.422	-0.198	20	0		EBADHL
COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])c1	ZINC000274961083	379726833	/nfs/dbraw/zinc/72/68/33/379726833.db2.gz	VBNSACXPDXHOQJ-QMMMGPOBSA-N	-2	3	336.753	-0.045	20	0		EBADHL
COC(=O)Cc1ccc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])s1	ZINC000274979126	379729438	/nfs/dbraw/zinc/72/94/38/379729438.db2.gz	XKBGXCSJQJBLQY-QMMMGPOBSA-N	-2	3	337.375	-0.423	20	0		EBADHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-]	ZINC000274995731	379732281	/nfs/dbraw/zinc/73/22/81/379732281.db2.gz	ABJUIYHUDDSBGH-INWYIAFRSA-N	-2	3	346.336	-0.177	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])oc1C	ZINC000275051890	379733632	/nfs/dbraw/zinc/73/36/32/379733632.db2.gz	IGKVNOIZSCPETO-MRVPVSSYSA-N	-2	3	348.333	-0.628	20	0		EBADHL
Cn1cc(C[C@@H]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)C(=O)[O-])cn1	ZINC000275264971	379746433	/nfs/dbraw/zinc/74/64/33/379746433.db2.gz	MQWQYYMKIOZKGS-MRVPVSSYSA-N	-2	3	347.784	-0.219	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)cn1	ZINC000280015737	379969006	/nfs/dbraw/zinc/96/90/06/379969006.db2.gz	OFAMNFCSJGCROS-IUCAKERBSA-N	-2	3	346.386	-0.207	20	0		EBADHL
C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)C(=O)Nc1ncccc1[O-]	ZINC000614824239	379987588	/nfs/dbraw/zinc/98/75/88/379987588.db2.gz	FBYRVTMIBCPAFL-NKWVEPMBSA-N	-2	3	348.319	-0.224	20	0		EBADHL
COCCn1[n-]c(C)c(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1=O	ZINC000540930701	380018982	/nfs/dbraw/zinc/01/89/82/380018982.db2.gz	QAIBUYSQABDDOK-LBPRGKRZSA-N	-2	3	344.327	-0.011	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCCOCC(=O)[O-]	ZINC000630262727	380024110	/nfs/dbraw/zinc/02/41/10/380024110.db2.gz	PNQBADOUGZTFCK-QMMMGPOBSA-N	-2	3	349.365	-0.824	20	0		EBADHL
COC(=O)Cc1ccc(S(=O)(=O)[N-]CCOCC(=O)[O-])s1	ZINC000547935404	380173032	/nfs/dbraw/zinc/17/30/32/380173032.db2.gz	CPPAJTYVRDPNEA-UHFFFAOYSA-N	-2	3	337.375	-0.157	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCCCCC(=O)[O-])c1	ZINC000355273878	380178045	/nfs/dbraw/zinc/17/80/45/380178045.db2.gz	YOONDQWQSAQJBZ-UHFFFAOYSA-N	-2	3	332.382	-0.540	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c1	ZINC000548203990	380188166	/nfs/dbraw/zinc/18/81/66/380188166.db2.gz	XZQXBDIHCCBOIP-JTQLQIEISA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C(=O)[O-]	ZINC000548218758	380191707	/nfs/dbraw/zinc/19/17/07/380191707.db2.gz	DBQCCZLLEUVLGJ-SECBINFHSA-N	-2	3	335.309	-0.010	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c1	ZINC000548534727	380213130	/nfs/dbraw/zinc/21/31/30/380213130.db2.gz	ZOYAQSUCNSVXGI-SECBINFHSA-N	-2	3	348.308	-0.781	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c(F)c1	ZINC000554783151	380351451	/nfs/dbraw/zinc/35/14/51/380351451.db2.gz	GKEVVMVMJYFIES-VIFPVBQESA-N	-2	3	335.309	-0.274	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1	ZINC000566225057	380456278	/nfs/dbraw/zinc/45/62/78/380456278.db2.gz	RBGDZLMUPZMYIG-ZDUSSCGKSA-N	-2	3	327.362	-0.074	20	0		EBADHL
COCC[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-]	ZINC000568002731	380564220	/nfs/dbraw/zinc/56/42/20/380564220.db2.gz	LITSNVXVRPQYAQ-SSDOTTSWSA-N	-2	3	337.379	-0.131	20	0		EBADHL
COc1cc(F)c(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])cc1OC	ZINC000274922833	380566227	/nfs/dbraw/zinc/56/62/27/380566227.db2.gz	NHNAZXWREDABIZ-QMMMGPOBSA-N	-2	3	337.325	-0.043	20	0		EBADHL
C[C@@](O)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)[O-]	ZINC000577751722	380842072	/nfs/dbraw/zinc/84/20/72/380842072.db2.gz	QFEDULFFTSXBMB-MEDUHNTESA-N	-2	3	336.344	-0.051	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1=O	ZINC000417449572	380901724	/nfs/dbraw/zinc/90/17/24/380901724.db2.gz	YECQPURZGRXBOJ-WRWGMCAJSA-N	-2	3	348.421	-0.207	20	0		EBADHL
COc1ccnc(C[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1	ZINC000563884861	380995622	/nfs/dbraw/zinc/99/56/22/380995622.db2.gz	ACKRJEIWQYSFLI-UHFFFAOYSA-N	-2	3	327.322	-0.755	20	0		EBADHL
CS(=O)(=O)CCCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000584588555	381189879	/nfs/dbraw/zinc/18/98/79/381189879.db2.gz	NQZILKFAGSSKMP-UHFFFAOYSA-N	-2	3	325.368	-0.789	20	0		EBADHL
C[C@H](NC(=O)c1cc(=O)[n-]cn1)[C@H](C)NC(=O)c1cc(=O)[n-]cn1	ZINC000626645522	381596080	/nfs/dbraw/zinc/59/60/80/381596080.db2.gz	NWXZPDDKGYBEFF-YUMQZZPRSA-N	-2	3	332.320	-0.385	20	0		EBADHL
COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-]	ZINC000036968587	292044087	/nfs/dbraw/zinc/04/40/87/292044087.db2.gz	UYGLWRXJZQLAMD-YFKPBYRVSA-N	-2	3	336.347	-0.858	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-]	ZINC000261637488	154195613	/nfs/dbraw/zinc/19/56/13/154195613.db2.gz	FPMRRVFHCCCTRD-LURJTMIESA-N	-3	3	340.354	-0.051	20	0		EBADHL
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C	ZINC000261646221	154196118	/nfs/dbraw/zinc/19/61/18/154196118.db2.gz	GYCMIEZFQMAPBA-ZCFIWIBFSA-N	-2	3	342.333	-0.872	20	0		EBADHL
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000262080397	154211629	/nfs/dbraw/zinc/21/16/29/154211629.db2.gz	AVVXFWWMFNQZHN-BDAKNGLRSA-N	-2	3	348.402	-0.273	20	0		EBADHL
COCCN(CC(=O)[O-])C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000262457373	154231516	/nfs/dbraw/zinc/23/15/16/154231516.db2.gz	RTBAVJMBIPVHFT-UHFFFAOYSA-N	-2	3	349.343	-0.361	20	0		EBADHL
NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]CCC(=O)[O-]	ZINC000262461022	154231947	/nfs/dbraw/zinc/23/19/47/154231947.db2.gz	SFMONJUNLFUHPE-UHFFFAOYSA-N	-2	3	336.753	-0.043	20	0		EBADHL
CO[C@@H](CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-]	ZINC000263110454	154254727	/nfs/dbraw/zinc/25/47/27/154254727.db2.gz	PPNDHNQQYRWKAS-NSHDSACASA-N	-2	3	335.316	-0.704	20	0		EBADHL
O=C([O-])C[C@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000263263570	154256646	/nfs/dbraw/zinc/25/66/46/154256646.db2.gz	GUFLIOINSPDYDO-VIFPVBQESA-N	-2	3	348.402	-0.272	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)[N-]OCCC(F)(F)F)c1	ZINC000275218303	154643048	/nfs/dbraw/zinc/64/30/48/154643048.db2.gz	MIYFNRPWQCHPAT-UHFFFAOYSA-N	-2	3	330.288	-0.301	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)s1	ZINC000290233987	155000200	/nfs/dbraw/zinc/00/02/00/155000200.db2.gz	YFFJAOGSGRRQCV-UHFFFAOYSA-N	-2	3	333.351	-0.701	20	0		EBADHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000296961958	155079734	/nfs/dbraw/zinc/07/97/34/155079734.db2.gz	NYNKOFFPQJUDNH-ZCFIWIBFSA-N	-2	3	335.725	-0.010	20	0		EBADHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-]	ZINC000297328996	155081392	/nfs/dbraw/zinc/08/13/92/155081392.db2.gz	XNSHLWRWCMUPMD-MRVPVSSYSA-N	-2	3	349.317	-0.331	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cnc(C)[n-]c2=O)o1	ZINC000345124439	156305302	/nfs/dbraw/zinc/30/53/02/156305302.db2.gz	LDPFQPUQSMLSNA-UHFFFAOYSA-N	-2	3	326.334	-0.078	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)o1	ZINC000345505779	156338736	/nfs/dbraw/zinc/33/87/36/156338736.db2.gz	RAAKKXLKJHGVEZ-UHFFFAOYSA-N	-2	3	340.365	-0.100	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)o1	ZINC000345505779	156338739	/nfs/dbraw/zinc/33/87/39/156338739.db2.gz	RAAKKXLKJHGVEZ-UHFFFAOYSA-N	-2	3	340.365	-0.100	20	0		EBADHL
CC(C)(NC(=O)C[N-]S(=O)(=O)c1cccs1)c1nnn[n-]1	ZINC000359781205	157341459	/nfs/dbraw/zinc/34/14/59/157341459.db2.gz	FBWHCBMMNCQRCA-UHFFFAOYSA-N	-2	3	330.395	-0.409	20	0		EBADHL
COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC	ZINC000530435498	418941668	/nfs/dbraw/zinc/94/16/68/418941668.db2.gz	LDDDJGQWSJYBEE-ZCFIWIBFSA-N	-2	3	338.363	-0.302	20	0		EBADHL
Cc1cc(C(=O)NC(C)(C)c2nnn[n-]2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000531097288	419047156	/nfs/dbraw/zinc/04/71/56/419047156.db2.gz	MSORKCMFUNOBQH-UHFFFAOYSA-N	-3	3	330.308	-0.077	20	0		EBADHL
Cc1cc(C(=O)NC(C)(C)c2nn[n-]n2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000531097288	419047160	/nfs/dbraw/zinc/04/71/60/419047160.db2.gz	MSORKCMFUNOBQH-UHFFFAOYSA-N	-3	3	330.308	-0.077	20	0		EBADHL
O=C([O-])[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1F	ZINC000647733690	419244524	/nfs/dbraw/zinc/24/45/24/419244524.db2.gz	XOBQYOUNDXGLQO-JTQLQIEISA-N	-2	3	346.336	-0.584	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC(C)(C(=O)[O-])CC2)c1	ZINC000647762036	419253088	/nfs/dbraw/zinc/25/30/88/419253088.db2.gz	GVGIHDGHDGYKKA-UHFFFAOYSA-N	-2	3	344.393	-0.588	20	0		EBADHL
CN(C[C@H](O)CNC(=O)c1ncccc1[O-])C(=O)c1ncccc1[O-]	ZINC000647810529	419309473	/nfs/dbraw/zinc/30/94/73/419309473.db2.gz	PYNQDKRBBUBGFP-SNVBAGLBSA-N	-2	3	346.343	-0.249	20	0		EBADHL
CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000645969883	420531670	/nfs/dbraw/zinc/53/16/70/420531670.db2.gz	TUFAYORZIYQGCM-ZCFIWIBFSA-N	-2	3	342.420	-0.057	20	0		EBADHL
C[C@@]1(c2ccc(CNC(=O)c3n[nH]c(=O)[n-]3)cc2)NC(=O)[N-]C1=O	ZINC000523621440	420726428	/nfs/dbraw/zinc/72/64/28/420726428.db2.gz	AXJYRUUKVGVINF-AWEZNQCLSA-N	-2	3	330.304	-0.505	20	0		EBADHL
COc1cccc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c1F	ZINC000656157322	420882201	/nfs/dbraw/zinc/88/22/01/420882201.db2.gz	LCOHUQFZZNTCFD-UHFFFAOYSA-N	-2	3	344.324	-0.011	20	0		EBADHL
CN(Cc1n[n-]c(=O)o1)CC1(CN(C)Cc2n[n-]c(=O)o2)COC1	ZINC000660845349	421053940	/nfs/dbraw/zinc/05/39/40/421053940.db2.gz	PDQRLWGJJZBHAC-UHFFFAOYSA-N	-2	3	340.340	-0.556	20	0		EBADHL
CN(CCOCCN(C)Cc1n[n-]c(=O)o1)Cc1n[n-]c(=O)o1	ZINC000660843580	421055193	/nfs/dbraw/zinc/05/51/93/421055193.db2.gz	AYFYMYZXPWQMNX-UHFFFAOYSA-N	-2	3	328.329	-0.556	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c(C)o1	ZINC000659171603	420993692	/nfs/dbraw/zinc/99/36/92/420993692.db2.gz	DUNPZCXYEOIWOZ-SCZZXKLOSA-N	-2	3	332.334	-0.532	20	0		EBADHL
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000663097311	421125733	/nfs/dbraw/zinc/12/57/33/421125733.db2.gz	AXNTYEFJMAZEBW-HOTGVXAUSA-N	-2	3	349.343	-0.153	20	0		EBADHL
C[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)[C@H]1C(=O)[O-]	ZINC000424248712	265055030	/nfs/dbraw/zinc/05/50/30/265055030.db2.gz	IIUHIUJVIOZCOT-BXKDBHETSA-N	-2	3	344.393	-0.590	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)CCC(=O)[O-]	ZINC000263034260	302844071	/nfs/dbraw/zinc/84/40/71/302844071.db2.gz	UZBUSFXYHIXOLH-QMMMGPOBSA-N	-2	3	333.366	-0.109	20	0		EBADHL
NC(=O)COCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000273762992	303251964	/nfs/dbraw/zinc/25/19/64/303251964.db2.gz	QZUKFKHJKBDOMX-UHFFFAOYSA-N	-2	3	338.288	-0.557	20	0		EBADHL
COc1ccc(F)cc1S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-]	ZINC000650418615	545684797	/nfs/dbraw/zinc/68/47/97/545684797.db2.gz	ILXJUVINIXVILB-UHFFFAOYSA-N	-2	3	334.325	-0.297	20	0		EBADHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)[O-]	ZINC000731051155	582834122	/nfs/dbraw/zinc/83/41/22/582834122.db2.gz	RQIMWGMJXNWJRS-ZETCQYMHSA-N	-4	3	335.265	-0.270	20	0		EBADHL
O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000737964580	583035672	/nfs/dbraw/zinc/03/56/72/583035672.db2.gz	XIKFKQHKICDTQP-NSHDSACASA-N	-2	3	337.361	-0.356	20	0		EBADHL
O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000737964580	583035675	/nfs/dbraw/zinc/03/56/75/583035675.db2.gz	XIKFKQHKICDTQP-NSHDSACASA-N	-2	3	337.361	-0.356	20	0		EBADHL
O=C(NC1(c2nnn[n-]2)CCCC1)c1ccc(-c2nnn[n-]2)cn1	ZINC000738010429	583037714	/nfs/dbraw/zinc/03/77/14/583037714.db2.gz	FRIWYHDOAGIWDJ-UHFFFAOYSA-N	-2	3	326.324	-0.026	20	0		EBADHL
COc1ccc(NC(=O)[N-]OCC(N)=O)cc1[N-]S(C)(=O)=O	ZINC000756781399	583186188	/nfs/dbraw/zinc/18/61/88/583186188.db2.gz	DFPDKBRDZBJILB-UHFFFAOYSA-N	-2	3	332.338	-0.395	20	0		EBADHL
COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c1F	ZINC000776445427	583404522	/nfs/dbraw/zinc/40/45/22/583404522.db2.gz	VSVJLFBBFVGOGR-LURJTMIESA-N	-2	3	339.272	-0.525	20	0		EBADHL
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-]	ZINC000776444768	583404537	/nfs/dbraw/zinc/40/45/37/583404537.db2.gz	PHAZUXQYPCBNIM-YFKPBYRVSA-N	-2	3	338.725	-0.755	20	0		EBADHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)[C@@H]1CCOC1	ZINC000776503611	583405161	/nfs/dbraw/zinc/40/51/61/583405161.db2.gz	OXTWZWPBKJEHQV-SKDRFNHKSA-N	-2	3	329.378	-0.013	20	0		EBADHL
O=C([O-])[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)[C@@H]1CCOC1	ZINC000776503608	583405204	/nfs/dbraw/zinc/40/52/04/583405204.db2.gz	OXTWZWPBKJEHQV-BXKDBHETSA-N	-2	3	329.378	-0.013	20	0		EBADHL
COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000776594748	583406643	/nfs/dbraw/zinc/40/66/43/583406643.db2.gz	CMEYNMWHCWDGCB-JLLWLGSASA-N	-2	3	345.373	-0.098	20	0		EBADHL
O=C([O-])[C@H]1CC(=O)N(CC[N-]S(=O)(=O)c2cccnc2Cl)C1	ZINC000776635051	583407489	/nfs/dbraw/zinc/40/74/89/583407489.db2.gz	HZZCUHXKWYHRBJ-QMMMGPOBSA-N	-2	3	347.780	-0.054	20	0		EBADHL
CCOC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821330370	583788910	/nfs/dbraw/zinc/78/89/10/583788910.db2.gz	JJYIXRRJSSCBKL-UHFFFAOYSA-N	-2	3	347.303	-0.014	20	0		EBADHL
CCOC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821330370	583788911	/nfs/dbraw/zinc/78/89/11/583788911.db2.gz	JJYIXRRJSSCBKL-UHFFFAOYSA-N	-2	3	347.303	-0.014	20	0		EBADHL
CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000821389117	583790581	/nfs/dbraw/zinc/79/05/81/583790581.db2.gz	GHVIPJUZABXGDV-QMMMGPOBSA-N	-2	3	340.365	-0.399	20	0		EBADHL
CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000821389117	583790582	/nfs/dbraw/zinc/79/05/82/583790582.db2.gz	GHVIPJUZABXGDV-QMMMGPOBSA-N	-2	3	340.365	-0.399	20	0		EBADHL
COCCN(CC(=O)[O-])C(=O)COc1ccc(-c2nnn[n-]2)cc1	ZINC000821689202	583801837	/nfs/dbraw/zinc/80/18/37/583801837.db2.gz	PJVJSXHDPLVBKB-UHFFFAOYSA-N	-2	3	335.320	-0.195	20	0		EBADHL
COCCN(CC(=O)[O-])C(=O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000821689202	583801838	/nfs/dbraw/zinc/80/18/38/583801838.db2.gz	PJVJSXHDPLVBKB-UHFFFAOYSA-N	-2	3	335.320	-0.195	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)[O-]	ZINC000824635037	583848074	/nfs/dbraw/zinc/84/80/74/583848074.db2.gz	YAUPMHGCAPESHL-SCSAIBSYSA-N	-3	3	333.276	-0.104	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-]	ZINC000824635037	583848075	/nfs/dbraw/zinc/84/80/75/583848075.db2.gz	YAUPMHGCAPESHL-SCSAIBSYSA-N	-3	3	333.276	-0.104	20	0		EBADHL
C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1	ZINC000825236997	583856477	/nfs/dbraw/zinc/85/64/77/583856477.db2.gz	QYURHVWIBCDLCT-NKWVEPMBSA-N	-2	3	325.325	-0.022	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1Cl	ZINC000826364795	583894776	/nfs/dbraw/zinc/89/47/76/583894776.db2.gz	LHNJGZGBIPWXGL-UHFFFAOYSA-N	-2	3	329.733	-0.223	20	0		EBADHL
O=C([O-])CC[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000826461140	583902701	/nfs/dbraw/zinc/90/27/01/583902701.db2.gz	HRPVWNBAXNMRDH-UHFFFAOYSA-N	-3	3	333.276	-0.102	20	0		EBADHL
O=C([O-])CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000826461140	583902703	/nfs/dbraw/zinc/90/27/03/583902703.db2.gz	HRPVWNBAXNMRDH-UHFFFAOYSA-N	-3	3	333.276	-0.102	20	0		EBADHL
O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826449857	583902900	/nfs/dbraw/zinc/90/29/00/583902900.db2.gz	MJKQPLRSUUIDQP-SSDOTTSWSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826449857	583902904	/nfs/dbraw/zinc/90/29/04/583902904.db2.gz	MJKQPLRSUUIDQP-SSDOTTSWSA-N	-2	3	326.338	-0.567	20	0		EBADHL
C[C@H]1C[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])C(=O)N1c1cnn(C)c1	ZINC000828183825	583935538	/nfs/dbraw/zinc/93/55/38/583935538.db2.gz	KSHMIFMRLASQFO-ONGXEEELSA-N	-2	3	344.393	-0.302	20	0		EBADHL
CCC(CC)(NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000828829384	583947644	/nfs/dbraw/zinc/94/76/44/583947644.db2.gz	QKVMCBVMISRMKD-UHFFFAOYSA-N	-2	3	332.382	-0.542	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000829890395	583959679	/nfs/dbraw/zinc/95/96/79/583959679.db2.gz	QNJVXYLHLRIOOT-NSHDSACASA-N	-2	3	335.313	-0.226	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000829890395	583959680	/nfs/dbraw/zinc/95/96/80/583959680.db2.gz	QNJVXYLHLRIOOT-NSHDSACASA-N	-2	3	335.313	-0.226	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CCCN2CCN(C(=O)[O-])CC2)c1	ZINC000831041016	583975231	/nfs/dbraw/zinc/97/52/31/583975231.db2.gz	HEDAVJUSBQQDQN-UHFFFAOYSA-N	-2	3	331.398	-0.616	20	0		EBADHL
Cn1ncc2c1nc(COC(=O)COC1CN(C(=O)[O-])C1)[n-]c2=O	ZINC000831055306	583975502	/nfs/dbraw/zinc/97/55/02/583975502.db2.gz	SBEMQDOFLDFWFN-UHFFFAOYSA-N	-2	3	337.292	-0.509	20	0		EBADHL
COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(Cl)n1	ZINC000831073066	583975823	/nfs/dbraw/zinc/97/58/23/583975823.db2.gz	NANCSFWXQVGGFR-RXMQYKEDSA-N	-2	3	325.730	-0.632	20	0		EBADHL
O=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)[N-]C(=O)c1cccs1	ZINC000831497259	583983932	/nfs/dbraw/zinc/98/39/32/583983932.db2.gz	ARGSTDMQZWVOSG-QMMMGPOBSA-N	-2	3	342.329	-0.074	20	0		EBADHL
COCCCS(=O)(=O)[N-]CC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000831705545	583990356	/nfs/dbraw/zinc/99/03/56/583990356.db2.gz	QXEBXQIIVWQCCS-UHFFFAOYSA-N	-2	3	333.366	-0.382	20	0		EBADHL
CS(=O)(=O)CCOCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000832670667	584000342	/nfs/dbraw/zinc/00/03/42/584000342.db2.gz	XXIWJHAKTPLAFK-UHFFFAOYSA-N	-2	3	341.363	-0.683	20	0		EBADHL
O=C([O-])Nc1cc2c(cc1NC(=O)CN1CC(=O)[N-]C1=O)OCO2	ZINC000832825422	584002228	/nfs/dbraw/zinc/00/22/28/584002228.db2.gz	RFOVWJYDKHTPNH-UHFFFAOYSA-N	-2	3	336.260	-0.005	20	0		EBADHL
NC(=O)c1ccc(C[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)o1	ZINC000833084907	584005132	/nfs/dbraw/zinc/00/51/32/584005132.db2.gz	ACHYDBWTDJOLRL-UHFFFAOYSA-N	-2	3	328.306	-0.862	20	0		EBADHL
O=C([O-])c1ccc(NC(=O)CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1	ZINC000833107626	584005810	/nfs/dbraw/zinc/00/58/10/584005810.db2.gz	FVQQOVLIYWIQPL-LLVKDONJSA-N	-2	3	332.316	-0.441	20	0		EBADHL
O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)c2nc[n-]n2)c1	ZINC000833253013	584007836	/nfs/dbraw/zinc/00/78/36/584007836.db2.gz	DMXBWWIRZSZYQG-UHFFFAOYSA-N	-2	3	325.306	-0.580	20	0		EBADHL
CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)C(=O)[O-])ccc1F	ZINC000833504402	584011579	/nfs/dbraw/zinc/01/15/79/584011579.db2.gz	JQBMLSZDHHYXFH-JTQLQIEISA-N	-2	3	348.352	-0.312	20	0		EBADHL
CN(C(=O)CN1CC[C@]2(C1)NC(=O)[N-]C2=O)c1ccccc1C(=O)[O-]	ZINC000833684525	584013575	/nfs/dbraw/zinc/01/35/75/584013575.db2.gz	HIIQYLCBEBSYJS-MRXNPFEDSA-N	-2	3	346.343	-0.369	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H](C)CNC(=O)[O-])cn1C	ZINC000833917350	584019695	/nfs/dbraw/zinc/01/96/95/584019695.db2.gz	YBRVPVQBDQIADK-MRVPVSSYSA-N	-2	3	347.397	-0.973	20	0		EBADHL
O=C([O-])N1CCC2(C[C@H]2C(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)CC1	ZINC000834288496	584030686	/nfs/dbraw/zinc/03/06/86/584030686.db2.gz	GHHPFFYLRVVQFY-BJOHPYRUSA-N	-2	3	336.348	-0.423	20	0		EBADHL
O=C(COC(=O)[C@H]1CCS(=O)(=O)[N-]1)[N-]OCc1ccccc1	ZINC000845368223	584105185	/nfs/dbraw/zinc/10/51/85/584105185.db2.gz	OQIRLTNVGIHAHX-LLVKDONJSA-N	-2	3	328.346	-0.531	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)C[N-]S(=O)(=O)c1ccccc1F	ZINC000846497825	584127191	/nfs/dbraw/zinc/12/71/91/584127191.db2.gz	OZHUGIVMZDMAEB-UHFFFAOYSA-N	-2	3	333.341	-0.712	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1cnnn1-c1ccccc1	ZINC000859208255	584297477	/nfs/dbraw/zinc/29/74/77/584297477.db2.gz	KKIHKZSASTXMLV-UHFFFAOYSA-N	-2	3	325.350	-0.387	20	0		EBADHL
Cc1[nH]nc(S(=O)(=O)[N-][C@]2(C)CCS(=O)(=O)C2)c1C(=O)[O-]	ZINC000738828472	600339365	/nfs/dbraw/zinc/33/93/65/600339365.db2.gz	CWPGELNJTAOHNV-SNVBAGLBSA-N	-2	3	337.379	-0.728	20	0		EBADHL
CS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000037739560	601230573	/nfs/dbraw/zinc/23/05/73/601230573.db2.gz	FJEFWKWRKFATPZ-UHFFFAOYSA-N	-2	3	343.329	-0.014	20	0		EBADHL
CN(C[C@@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1)C(=O)[O-]	ZINC000739638769	603089201	/nfs/dbraw/zinc/08/92/01/603089201.db2.gz	QTGORDODXNXHRK-ZETCQYMHSA-N	-2	3	325.325	-0.068	20	0		EBADHL
Cc1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	ZINC000057124911	649959720	/nfs/dbraw/zinc/95/97/20/649959720.db2.gz	VCIZBSLTXLLYMO-JTQLQIEISA-N	-2	3	347.418	-0.325	20	0		EBADHL
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@@H]1NC(=O)c1ncccc1[O-]	ZINC000941988856	653013942	/nfs/dbraw/zinc/01/39/42/653013942.db2.gz	INLYSOLUGTTXIP-MNOVXSKESA-N	-2	3	346.391	-0.151	20	0		EBADHL
C[C@@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1Cc1n[nH]c(=O)[n-]1	ZINC000947433855	653401597	/nfs/dbraw/zinc/40/15/97/653401597.db2.gz	NBQANFKFUHGWEI-BDAKNGLRSA-N	-2	3	333.352	-0.211	20	0		EBADHL
O=C(NC[C@@H]1CCN1C(=O)c1ccccc1[O-])c1n[nH]c(=O)[n-]c1=O	ZINC000951298190	654456624	/nfs/dbraw/zinc/45/66/24/654456624.db2.gz	STEQNZMPVSXACW-QMMMGPOBSA-N	-2	3	345.315	-0.367	20	0		EBADHL
CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CCCN1C(=O)c1ncccc1[O-]	ZINC000960576506	722840889	/nfs/dbraw/zinc/84/08/89/722840889.db2.gz	QUYVUOWVYLJCCH-LLVKDONJSA-N	-2	3	346.391	-0.054	20	0		EBADHL
O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970199042	725260892	/nfs/dbraw/zinc/26/08/92/725260892.db2.gz	PIQCQVAVBKSLFZ-SECBINFHSA-N	-2	3	345.363	-0.112	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[n-]3)C2)c1[O-]	ZINC000971359572	725360581	/nfs/dbraw/zinc/36/05/81/725360581.db2.gz	GVMBCGHBZQKDAR-VIFPVBQESA-N	-2	3	335.368	-0.808	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001028756758	730352302	/nfs/dbraw/zinc/35/23/02/730352302.db2.gz	NMIBRPKFGAFYHB-VIFPVBQESA-N	-2	3	333.352	-0.434	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC001072841876	741501091	/nfs/dbraw/zinc/50/10/91/741501091.db2.gz	QIZCHPYDQQGYOQ-UHFFFAOYSA-N	-2	3	331.336	-0.646	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC000978613172	804884410	/nfs/dbraw/zinc/88/44/10/804884410.db2.gz	IGWVMLLMIZIEGH-OWUUHHOZSA-N	-2	3	345.363	-0.578	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000978951040	805060370	/nfs/dbraw/zinc/06/03/70/805060370.db2.gz	LGAQOLYFFWUINU-DTORHVGOSA-N	-2	3	346.347	-0.142	20	0		EBADHL
CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCCOP(=O)([O-])[O-]	ZINC001220220706	811021642	/nfs/dbraw/zinc/02/16/42/811021642.db2.gz	BNQBUTYTLOPYIY-MRVPVSSYSA-N	-2	3	326.286	-0.339	20	0		EBADHL
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCOP(=O)([O-])[O-]	ZINC001220221147	811021748	/nfs/dbraw/zinc/02/17/48/811021748.db2.gz	SERKJTBBGXCVHQ-IUCAKERBSA-N	-2	3	325.302	-0.910	20	0		EBADHL
O=C([O-])C[C@@H](O)C(=O)Oc1ncnc2[n-]nc(Br)c21	ZINC001226666604	811877867	/nfs/dbraw/zinc/87/78/67/811877867.db2.gz	MMGPNNLKAQIVCZ-GSVOUGTGSA-N	-2	3	331.082	-0.144	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CO[N-]C2=O)c(F)cc1Cl	ZINC001259222076	812808399	/nfs/dbraw/zinc/80/83/99/812808399.db2.gz	HAWLAHDBEPIVNT-SSDOTTSWSA-N	-3	3	338.700	-0.114	20	0		EBADHL
C[C@H]1C[C@@H]1C(=O)NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1	ZINC001087254571	816481283	/nfs/dbraw/zinc/48/12/83/816481283.db2.gz	LFKHBUDGQUATLF-CBAPKCEASA-N	-2	3	333.352	-0.432	20	0		EBADHL
CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1nc(=O)n(C)[n-]1	ZINC001087552241	816531639	/nfs/dbraw/zinc/53/16/39/816531639.db2.gz	VCIWPTIRGHEYSO-WDEREUQCSA-N	-2	3	346.391	-0.008	20	0		EBADHL
COC(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccc([O-])cc1	ZINC001182972899	833271447	/nfs/dbraw/zinc/27/14/47/833271447.db2.gz	LLQUWPGBUKILRZ-NSHDSACASA-N	-2	3	338.316	-0.355	20	0		EBADHL
O=C([O-])CCC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC001185628305	833363764	/nfs/dbraw/zinc/36/37/64/833363764.db2.gz	KZQVBELDTHTWOL-UHFFFAOYSA-N	-2	3	339.333	-0.421	20	0		EBADHL
O=C([O-])CCC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC001185628305	833363766	/nfs/dbraw/zinc/36/37/66/833363766.db2.gz	KZQVBELDTHTWOL-UHFFFAOYSA-N	-2	3	339.333	-0.421	20	0		EBADHL
NC(=O)c1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)no1	ZINC001186202108	833392042	/nfs/dbraw/zinc/39/20/42/833392042.db2.gz	VVAPJLOKYUWUQA-UHFFFAOYSA-N	-2	3	344.280	-0.516	20	0		EBADHL
CCN(Cc1nc(=O)n(C)[n-]1)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001152781483	831190051	/nfs/dbraw/zinc/19/00/51/831190051.db2.gz	FNQJVEPRBBYNLD-MRVPVSSYSA-N	-2	3	337.384	-0.514	20	0		EBADHL
CCN(Cc1nc(=O)n(C)[n-]1)[C@H](C)CNC(=O)c1ncccc1[O-]	ZINC001152975183	831201401	/nfs/dbraw/zinc/20/14/01/831201401.db2.gz	NOALJUXXZZXAMH-SNVBAGLBSA-N	-2	3	334.380	-0.151	20	0		EBADHL
N[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C[C@H]1F	ZINC001157556135	831577993	/nfs/dbraw/zinc/57/79/93/831577993.db2.gz	UKZNHGOSXDZADT-ZJUUUORDSA-N	-2	3	332.309	-0.247	20	0		EBADHL
COC(=O)C(NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)=C(C)[O-]	ZINC001192743582	834725931	/nfs/dbraw/zinc/72/59/31/834725931.db2.gz	NZKZTULUYGIFIS-GFCCVEGCSA-N	-2	3	345.329	-0.441	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC(=O)NC2=O)c(F)cc1F	ZINC001195259114	835204244	/nfs/dbraw/zinc/20/42/44/835204244.db2.gz	XYXOUHNIMITMDW-RXMQYKEDSA-N	-2	3	348.283	-0.396	20	0		EBADHL
NS(=O)(=O)c1ccc(NC(=S)NCCP(=O)([O-])[O-])cc1	ZINC001199189958	835776859	/nfs/dbraw/zinc/77/68/59/835776859.db2.gz	ZVYXKKORCPYLIQ-UHFFFAOYSA-N	-2	3	339.335	-0.202	20	0		EBADHL
COCc1n[n-]c(S(=O)(=O)CCC[N-]C(=O)C(F)(F)F)n1	ZINC001341729913	843109667	/nfs/dbraw/zinc/10/96/67/843109667.db2.gz	UQGJBEUCDVTERX-UHFFFAOYSA-N	-2	3	330.288	-0.207	20	0		EBADHL
COCc1nc(S(=O)(=O)CCC[N-]C(=O)C(F)(F)F)n[n-]1	ZINC001341729913	843109677	/nfs/dbraw/zinc/10/96/77/843109677.db2.gz	UQGJBEUCDVTERX-UHFFFAOYSA-N	-2	3	330.288	-0.207	20	0		EBADHL
COCc1nnc(S(=O)(=O)CCC[N-]C(=O)C(F)(F)F)[n-]1	ZINC001341729913	843109686	/nfs/dbraw/zinc/10/96/86/843109686.db2.gz	UQGJBEUCDVTERX-UHFFFAOYSA-N	-2	3	330.288	-0.207	20	0		EBADHL
C[C@@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)n1cnc(-c2nnn[n-]2)n1	ZINC001573623397	947686231	/nfs/dbraw/zinc/68/62/31/947686231.db2.gz	FHNZLNZRVNEXNY-JGVFFNPUSA-N	-2	3	344.339	-0.536	20	0		EBADHL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1n[nH]cc1-c1nnn[n-]1	ZINC001570927851	948718875	/nfs/dbraw/zinc/71/88/75/948718875.db2.gz	BCLIFKVLAXTBPS-UHFFFAOYSA-N	-2	3	332.246	-0.015	20	0		EBADHL
C[C@@H](NC(=O)COCC(=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-]	ZINC001589096111	955988339	/nfs/dbraw/zinc/98/83/39/955988339.db2.gz	UPUVLYSAIONFGD-DTWKUNHWSA-N	-2	3	325.321	-0.032	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)n1	ZINC001594269370	959783631	/nfs/dbraw/zinc/78/36/31/959783631.db2.gz	OUYNECGIYIEBAB-NSHDSACASA-N	-2	3	335.364	-0.702	20	0		EBADHL
CSc1ncc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c(=O)[n-]1	ZINC001571173348	962069237	/nfs/dbraw/zinc/06/92/37/962069237.db2.gz	QUPDYJMBPAAZMZ-QMMMGPOBSA-N	-2	3	326.378	-0.008	20	0		EBADHL
Cn1cnnc1S(=O)(=O)[N-][C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001571192061	962270384	/nfs/dbraw/zinc/27/03/84/962270384.db2.gz	ZBKONDXCXWYKNG-XEVUQIKYSA-N	-2	3	330.366	-0.494	20	0		EBADHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CCC3)o1	ZINC000394686358	972738756	/nfs/dbraw/zinc/73/87/56/972738756.db2.gz	HPLDBFMNCWCCJW-SNVBAGLBSA-N	-2	3	329.378	-0.354	20	0		EBADHL
O=C([O-])CN1CCCC[C@@H]([N-]S(=O)(=O)c2cscn2)C1=O	ZINC001606258956	973615649	/nfs/dbraw/zinc/61/56/49/973615649.db2.gz	KIAXPAQAUNMIPW-MRVPVSSYSA-N	-2	3	333.391	-0.113	20	0		EBADHL
C[C@@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001592616635	978580676	/nfs/dbraw/zinc/58/06/76/978580676.db2.gz	XJQGSTRZKUQODB-JTQLQIEISA-N	-2	3	331.394	-0.108	20	0		EBADHL
C[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])CN1CCOCC1	ZINC001592716800	979218814	/nfs/dbraw/zinc/21/88/14/979218814.db2.gz	ZWZPQCBIGYFGJO-VIFPVBQESA-N	-2	3	332.382	-0.646	20	0		EBADHL
CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001596859375	985613913	/nfs/dbraw/zinc/61/39/13/985613913.db2.gz	BGXNZPFYRRWBQS-BDAKNGLRSA-N	-2	3	333.366	-0.111	20	0		EBADHL
CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H](C(=O)[O-])C1	ZINC001598613260	993824111	/nfs/dbraw/zinc/82/41/11/993824111.db2.gz	OCRIVCBHKOSQIL-VIFPVBQESA-N	-2	3	347.331	-0.476	20	0		EBADHL
COC(=O)[C@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@@H]1C(=O)[O-]	ZINC001598810861	996230600	/nfs/dbraw/zinc/23/06/00/996230600.db2.gz	MEINMICGDAUVHI-QWRGUYRKSA-N	-2	3	337.332	-0.245	20	0		EBADHL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@]1(C(=O)[O-])CCOC1	ZINC001598912343	997393842	/nfs/dbraw/zinc/39/38/42/997393842.db2.gz	SIBCREGVDQLLAT-GFCCVEGCSA-N	-2	3	347.349	-0.726	20	0		EBADHL
COCCNC(=O)C1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1	ZINC001599242523	998070531	/nfs/dbraw/zinc/07/05/31/998070531.db2.gz	SDIBSQULPGHKKT-UHFFFAOYSA-N	-2	3	349.390	-0.585	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC(Cc2nnn[n-]2)CC1	ZINC001363540153	1132002916	/nfs/dbraw/zinc/00/29/16/1132002916.db2.gz	KUAUKLLWLJAMFC-UHFFFAOYSA-N	-2	3	343.351	-0.934	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCC(Cc2nn[n-]n2)CC1	ZINC001363540153	1132002924	/nfs/dbraw/zinc/00/29/24/1132002924.db2.gz	KUAUKLLWLJAMFC-UHFFFAOYSA-N	-2	3	343.351	-0.934	20	0		EBADHL
CS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114217	376031909	/nfs/dbraw/zinc/03/19/09/376031909.db2.gz	ZSJVPZJBJLZRNI-UHFFFAOYSA-N	-2	3	340.354	-0.649	20	0		EBADHL
O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000044242930	376109145	/nfs/dbraw/zinc/10/91/45/376109145.db2.gz	CODWFTRTSVPLMX-ZETCQYMHSA-N	-2	3	325.140	-0.432	20	0		EBADHL
CC[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000556674271	376130505	/nfs/dbraw/zinc/13/05/05/376130505.db2.gz	QHTLZRVETVKMRY-ZCFIWIBFSA-N	-2	3	334.126	-0.309	20	0		EBADHL
CC(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1[O-]	ZINC000564967127	376640847	/nfs/dbraw/zinc/64/08/47/376640847.db2.gz	MRBGJKSPXJTQML-LBPRGKRZSA-N	-2	3	341.341	-0.081	20	0		EBADHL
O=C([O-])[C@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000262547670	304199560	/nfs/dbraw/zinc/19/95/60/304199560.db2.gz	WGPTUBZZBOHEAW-MRVPVSSYSA-N	-2	3	334.375	-0.662	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])c(F)c1	ZINC000561848023	376884525	/nfs/dbraw/zinc/88/45/25/376884525.db2.gz	VZEGCVMVWVDBJI-QMMMGPOBSA-N	-2	3	348.308	-0.781	20	0		EBADHL
CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)[O-]	ZINC000563226770	378784494	/nfs/dbraw/zinc/78/44/94/378784494.db2.gz	MVQXUPBLMDPOLG-QMMMGPOBSA-N	-2	3	332.334	-0.225	20	0		EBADHL
CCC[C@@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1nnn[n-]1	ZINC000270053238	379429723	/nfs/dbraw/zinc/42/97/23/379429723.db2.gz	CSTOBJNGUZORIC-MRVPVSSYSA-N	-2	3	328.354	-0.028	20	0		EBADHL
CCC[C@@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1nn[n-]n1	ZINC000270053238	379429737	/nfs/dbraw/zinc/42/97/37/379429737.db2.gz	CSTOBJNGUZORIC-MRVPVSSYSA-N	-2	3	328.354	-0.028	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O	ZINC000274882376	379720928	/nfs/dbraw/zinc/72/09/28/379720928.db2.gz	DFGCCHDRIUARFM-LDWIPMOCSA-N	-2	3	335.309	-0.275	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](Cc2cnc[nH]2)C(=O)[O-])o1	ZINC000274912761	379723402	/nfs/dbraw/zinc/72/34/02/379723402.db2.gz	LARBKQAMRVPWOQ-MRVPVSSYSA-N	-2	3	343.317	-0.237	20	0		EBADHL
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-]	ZINC000274960974	379727406	/nfs/dbraw/zinc/72/74/06/379727406.db2.gz	VAIGURHQUGAJJI-QMMMGPOBSA-N	-2	3	337.737	-0.150	20	0		EBADHL
CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1=O	ZINC000278950222	379938599	/nfs/dbraw/zinc/93/85/99/379938599.db2.gz	YTGKHWVSRYDLLJ-HNNXBMFYSA-N	-2	3	330.300	-0.065	20	0		EBADHL
C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000614824241	379988043	/nfs/dbraw/zinc/98/80/43/379988043.db2.gz	FBYRVTMIBCPAFL-RQJHMYQMSA-N	-2	3	348.319	-0.224	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-]	ZINC000547887360	380168583	/nfs/dbraw/zinc/16/85/83/380168583.db2.gz	RIPMEPOPAXQVOY-SECBINFHSA-N	-2	3	335.309	-0.010	20	0		EBADHL
O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl	ZINC000548201172	380188125	/nfs/dbraw/zinc/18/81/25/380188125.db2.gz	GKPUIQUQYROHNK-ZCFIWIBFSA-N	-2	3	336.709	-0.502	20	0		EBADHL
Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2c[nH]c(C)n2)C(=O)[O-])n1	ZINC000548209119	380190266	/nfs/dbraw/zinc/19/02/66/380190266.db2.gz	BTBNWIQGEKRYLV-SNVBAGLBSA-N	-2	3	327.366	-0.037	20	0		EBADHL
Cc1nn2cc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])cnc2c1Cl	ZINC000548208737	380190657	/nfs/dbraw/zinc/19/06/57/380190657.db2.gz	PIOPQOYOTIRNGT-QMMMGPOBSA-N	-2	3	348.768	-0.195	20	0		EBADHL
COCC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-]	ZINC000548536123	380212922	/nfs/dbraw/zinc/21/29/22/380212922.db2.gz	PSWJHRCYMLQXGQ-ZCFIWIBFSA-N	-2	3	338.363	-0.302	20	0		EBADHL
Cc1nc(C)c(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)s1	ZINC000548591073	380218243	/nfs/dbraw/zinc/21/82/43/380218243.db2.gz	BWKROIGACUCPAS-UHFFFAOYSA-N	-2	3	331.379	-0.085	20	0		EBADHL
C[C@](O)(CNC(=O)C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000564976823	380390883	/nfs/dbraw/zinc/39/08/83/380390883.db2.gz	CDORTFBTHSMOHT-LBPRGKRZSA-N	-2	3	334.325	-0.944	20	0		EBADHL
CN(CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CCO1	ZINC000566223594	380454488	/nfs/dbraw/zinc/45/44/88/380454488.db2.gz	GQEYAFXRKQXNGO-ZMLRMANQSA-N	-2	3	328.365	-0.413	20	0		EBADHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2cnn3c2OCCC3)CCSC1	ZINC000567808433	380545292	/nfs/dbraw/zinc/54/52/92/380545292.db2.gz	QFQTUSBZSNWWHY-NSHDSACASA-N	-2	3	333.391	-0.096	20	0		EBADHL
CC(C)c1nc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)cn1C	ZINC000573181764	380661674	/nfs/dbraw/zinc/66/16/74/380661674.db2.gz	GVJONEVMAQGYEA-UHFFFAOYSA-N	-2	3	342.381	-0.188	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@@H]([N-]S(=O)(=O)c2ccn(C)n2)C1=O	ZINC000577221245	380811742	/nfs/dbraw/zinc/81/17/42/380811742.db2.gz	JQECBCWAAFBDKQ-MWLCHTKSSA-N	-2	3	344.393	-0.592	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1	ZINC000577396583	380823100	/nfs/dbraw/zinc/82/31/00/380823100.db2.gz	ZPGWNXZVVGTREV-GFCCVEGCSA-N	-2	3	330.366	-0.978	20	0		EBADHL
COC(=O)C1(CS(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)CCC1	ZINC000577995792	380868096	/nfs/dbraw/zinc/86/80/96/380868096.db2.gz	VNPKRERNKUAFQY-UHFFFAOYSA-N	-2	3	346.365	-0.875	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]CCOCC(=O)[O-])c(F)c1	ZINC000579523762	380997462	/nfs/dbraw/zinc/99/74/62/380997462.db2.gz	XZNYDXOLPFNEDI-UHFFFAOYSA-N	-2	3	335.309	-0.008	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1(c2nnn[n-]2)CC1	ZINC000348275260	381351835	/nfs/dbraw/zinc/35/18/35/381351835.db2.gz	JGIMVWWHLHFINX-SSDOTTSWSA-N	-2	3	342.406	-0.267	20	0		EBADHL
CO[C@H](CS(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1ccccc1	ZINC000571988389	381631834	/nfs/dbraw/zinc/63/18/34/381631834.db2.gz	OYCMUVBEORQBDR-LLVKDONJSA-N	-2	3	330.362	-0.506	20	0		EBADHL
CCOCCS(=O)(=O)[N-]CC(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000628539984	381964428	/nfs/dbraw/zinc/96/44/28/381964428.db2.gz	SNPPKTBMFOWZPZ-UHFFFAOYSA-N	-2	3	348.450	-0.094	20	0		EBADHL
CCO[C@H](CS(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1)C1CC1	ZINC000629296642	382104165	/nfs/dbraw/zinc/10/41/65/382104165.db2.gz	SUNMWYJXNHOULM-LLVKDONJSA-N	-2	3	332.382	-0.403	20	0		EBADHL
Cc1cc(C(=O)NCCN2CC[C@@H](O)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000629173208	382078922	/nfs/dbraw/zinc/07/89/22/382078922.db2.gz	NAKMWQFKTKFYLB-SECBINFHSA-N	-2	3	333.348	-0.459	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c(C)o1	ZINC000376737269	292005000	/nfs/dbraw/zinc/00/50/00/292005000.db2.gz	AMLHSDVYKDXSOD-LBPRGKRZSA-N	-2	3	333.318	-0.103	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-]	ZINC000298862386	155138275	/nfs/dbraw/zinc/13/82/75/155138275.db2.gz	PVSZBZVQGMCUGI-LURJTMIESA-N	-2	3	339.757	-0.323	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000315251077	155175767	/nfs/dbraw/zinc/17/57/67/155175767.db2.gz	ZXZRIZNBHMWYRU-LLVKDONJSA-N	-2	3	328.346	-0.016	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000261934423	154205988	/nfs/dbraw/zinc/20/59/88/154205988.db2.gz	ZHTBDWFVQIXTEF-PSASIEDQSA-N	-2	3	345.377	-0.109	20	0		EBADHL
CN(CC(=O)[O-])S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000261934345	154206022	/nfs/dbraw/zinc/20/60/22/154206022.db2.gz	ZFINDZJHEMHVGV-UHFFFAOYSA-N	-2	3	340.354	-0.098	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c(C)o1	ZINC000262864534	154250047	/nfs/dbraw/zinc/25/00/47/154250047.db2.gz	DVFYAXHTJZCXBF-LBPRGKRZSA-N	-2	3	332.334	-0.530	20	0		EBADHL
CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-]	ZINC000263081204	154253193	/nfs/dbraw/zinc/25/31/93/154253193.db2.gz	HSFLHRBLAXAJJC-JSGCOSHPSA-N	-2	3	331.390	-0.001	20	0		EBADHL
COC[C@](C)(NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000263006409	154253343	/nfs/dbraw/zinc/25/33/43/154253343.db2.gz	WADATRUCURRPCY-JKSUJKDBSA-N	-2	3	349.343	-0.039	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)c1	ZINC000296860803	155079847	/nfs/dbraw/zinc/07/98/47/155079847.db2.gz	DEGQPOIHYVQMLZ-QUBYGPBYSA-N	-2	3	335.309	-0.275	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC(C)(C)c1nnn[n-]1	ZINC000359780230	157340896	/nfs/dbraw/zinc/34/08/96/157340896.db2.gz	AHPATOWJHZFYKV-ZETCQYMHSA-N	-2	3	344.422	-0.021	20	0		EBADHL
Cc1cc(S(=O)(=O)[N-]CCNS(C)(=O)=O)oc1C(=O)[O-]	ZINC000663423792	419051523	/nfs/dbraw/zinc/05/15/23/419051523.db2.gz	YQQLTPMNNKHELD-UHFFFAOYSA-N	-2	3	326.352	-0.886	20	0		EBADHL
Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)no1	ZINC000645961922	420530067	/nfs/dbraw/zinc/53/00/67/420530067.db2.gz	QBYGGPMDGHWJQJ-UHFFFAOYSA-N	-2	3	329.338	-0.127	20	0		EBADHL
Cn1cnc(CCC[N-]S(=O)(=O)c2csnc2C(=O)[O-])n1	ZINC000646056955	420535836	/nfs/dbraw/zinc/53/58/36/420535836.db2.gz	OCMYEXBEZNXTLF-UHFFFAOYSA-N	-2	3	331.379	-0.119	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)cn1	ZINC000530372276	420782606	/nfs/dbraw/zinc/78/26/06/420782606.db2.gz	GZTVFMBYIYCAPP-SNVBAGLBSA-N	-2	3	334.375	-0.373	20	0		EBADHL
C[C@H](CNC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O)C(=O)[O-]	ZINC000655882236	420857769	/nfs/dbraw/zinc/85/77/69/420857769.db2.gz	VCFUHQFENVGGAP-TVLCNXBWSA-N	-2	3	326.353	-0.131	20	0		EBADHL
CCc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)cn1CC1CC1	ZINC000663288756	421127645	/nfs/dbraw/zinc/12/76/45/421127645.db2.gz	VIRZEWWMUVRDNI-QPUJVOFHSA-N	-2	3	331.394	-0.032	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NCCC(C)(C)C(=O)[O-])cn1C	ZINC000424227195	265051866	/nfs/dbraw/zinc/05/18/66/265051866.db2.gz	FUSSXQFQSPBLQR-UHFFFAOYSA-N	-2	3	346.409	-0.376	20	0		EBADHL
O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000344114773	304514616	/nfs/dbraw/zinc/51/46/16/304514616.db2.gz	XZEQRDDIVHDEAG-JTQLQIEISA-N	-2	3	343.299	-0.594	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@H]2C(=O)[O-])c1	ZINC000262663174	303018228	/nfs/dbraw/zinc/01/82/28/303018228.db2.gz	MIMFYKYXLRZHRB-VIFPVBQESA-N	-2	3	330.366	-0.836	20	0		EBADHL
C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@H](C)C(=O)Nc1ncccc1[O-]	ZINC000673507791	546141083	/nfs/dbraw/zinc/14/10/83/546141083.db2.gz	CDYFRSWSDAJWGY-YIZRAAEISA-N	-2	3	349.347	-0.535	20	0		EBADHL
CC(C)c1nc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)c[nH]1	ZINC000683299540	546346745	/nfs/dbraw/zinc/34/67/45/546346745.db2.gz	RHKGMHZYCFSVFF-UHFFFAOYSA-N	-2	3	328.354	-0.199	20	0		EBADHL
Nc1c(-c2nnn[n-]2)cnn1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000737777397	582647522	/nfs/dbraw/zinc/64/75/22/582647522.db2.gz	UTWIIRGNSWCLLE-UHFFFAOYSA-N	-2	3	339.275	-0.323	20	0		EBADHL
CCCCCS(=O)(=O)C=C([O-])n1ncc(-c2nnn[n-]2)c1N	ZINC000736451849	582935013	/nfs/dbraw/zinc/93/50/13/582935013.db2.gz	PRHRZJBUCHFKRS-UHFFFAOYSA-N	-2	3	327.370	-0.109	20	0		EBADHL
CCCCCS(=O)(=O)C=C([O-])n1ncc(-c2nn[n-]n2)c1N	ZINC000736451849	582935015	/nfs/dbraw/zinc/93/50/15/582935015.db2.gz	PRHRZJBUCHFKRS-UHFFFAOYSA-N	-2	3	327.370	-0.109	20	0		EBADHL
CS(=O)(=O)[N-]c1cc(C(=O)OCC(=O)NCC(=O)[O-])ccc1F	ZINC000738163819	583043865	/nfs/dbraw/zinc/04/38/65/583043865.db2.gz	HRCNHKNHGRFWIN-UHFFFAOYSA-N	-2	3	348.308	-0.445	20	0		EBADHL
CCOC(=O)c1nc(C2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)n[n-]1	ZINC000774679687	583387659	/nfs/dbraw/zinc/38/76/59/583387659.db2.gz	HUZIEWHGQHXQJE-UHFFFAOYSA-N	-2	3	334.336	-0.437	20	0		EBADHL
CCOC(=O)c1nnc(C2CCN(C(=O)c3cc(=O)[nH][n-]3)CC2)[n-]1	ZINC000774679687	583387662	/nfs/dbraw/zinc/38/76/62/583387662.db2.gz	HUZIEWHGQHXQJE-UHFFFAOYSA-N	-2	3	334.336	-0.437	20	0		EBADHL
C[C@]1(c2cccc(C(=O)OCc3n[nH]c(=O)[n-]3)c2)NC(=O)[N-]C1=O	ZINC000774970391	583393506	/nfs/dbraw/zinc/39/35/06/583393506.db2.gz	DAKIMSHDUCCGRM-CQSZACIVSA-N	-2	3	331.288	-0.078	20	0		EBADHL
COC(=O)[C@H](C)CS(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000776594749	583406870	/nfs/dbraw/zinc/40/68/70/583406870.db2.gz	CMEYNMWHCWDGCB-USWWRNFRSA-N	-2	3	345.373	-0.098	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)[N-]OCCOC(C)C)cn1C	ZINC000812805528	583696540	/nfs/dbraw/zinc/69/65/40/583696540.db2.gz	OWQOVRBUCSOAGQ-UHFFFAOYSA-N	-2	3	334.398	-0.520	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N(CCN(C)C)CC(=O)[O-])co1	ZINC000820641123	583776713	/nfs/dbraw/zinc/77/67/13/583776713.db2.gz	LQKQVJDXPLVNKK-UHFFFAOYSA-N	-2	3	333.366	-0.724	20	0		EBADHL
O=C(CC1OCCCO1)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1	ZINC000821588843	583794308	/nfs/dbraw/zinc/79/43/08/583794308.db2.gz	KVKJHLXNIQHPPQ-UHFFFAOYSA-N	-2	3	326.334	-0.084	20	0		EBADHL
COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000821701601	583802535	/nfs/dbraw/zinc/80/25/35/583802535.db2.gz	VMCXBFHESTVCQH-UHFFFAOYSA-N	-2	3	346.307	-0.606	20	0		EBADHL
COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000821701601	583802536	/nfs/dbraw/zinc/80/25/36/583802536.db2.gz	VMCXBFHESTVCQH-UHFFFAOYSA-N	-2	3	346.307	-0.606	20	0		EBADHL
C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000824680206	583848841	/nfs/dbraw/zinc/84/88/41/583848841.db2.gz	ZCFGKQNXXRDMGQ-JVXZTZIISA-N	-2	3	346.347	-0.214	20	0		EBADHL
CCc1nn(Cc2nc(=O)n(C)[n-]2)c(=O)c(-c2nn[n-]n2)c1CC	ZINC000825763108	583866397	/nfs/dbraw/zinc/86/63/97/583866397.db2.gz	OFKVATFLOOTPDU-UHFFFAOYSA-N	-2	3	331.340	-0.982	20	0		EBADHL
CN1C(=O)CN([N-]C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1=O	ZINC000826017595	583873684	/nfs/dbraw/zinc/87/36/84/583873684.db2.gz	LIULZSKGPOVEML-UHFFFAOYSA-N	-2	3	336.699	-0.546	20	0		EBADHL
CN1C(=O)CN([N-]C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1=O	ZINC000826017595	583873686	/nfs/dbraw/zinc/87/36/86/583873686.db2.gz	LIULZSKGPOVEML-UHFFFAOYSA-N	-2	3	336.699	-0.546	20	0		EBADHL
COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000826157980	583885274	/nfs/dbraw/zinc/88/52/74/583885274.db2.gz	UWOQUZCQZVJASM-UHFFFAOYSA-N	-2	3	341.349	-0.412	20	0		EBADHL
COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000826157980	583885276	/nfs/dbraw/zinc/88/52/76/583885276.db2.gz	UWOQUZCQZVJASM-UHFFFAOYSA-N	-2	3	341.349	-0.412	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826339905	583891880	/nfs/dbraw/zinc/89/18/80/583891880.db2.gz	ZAZRBTNETYGDLE-UHFFFAOYSA-N	-2	3	337.321	-0.082	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826339905	583891882	/nfs/dbraw/zinc/89/18/82/583891882.db2.gz	ZAZRBTNETYGDLE-UHFFFAOYSA-N	-2	3	337.321	-0.082	20	0		EBADHL
Cn1[n-]nnc1=N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O	ZINC000826367451	583895721	/nfs/dbraw/zinc/89/57/21/583895721.db2.gz	ZLZMNQPTJDPYRA-LLVKDONJSA-N	-2	3	340.351	-0.580	20	0		EBADHL
Cn1[n-]nnc1=N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O	ZINC000826367451	583895723	/nfs/dbraw/zinc/89/57/23/583895723.db2.gz	ZLZMNQPTJDPYRA-LLVKDONJSA-N	-2	3	340.351	-0.580	20	0		EBADHL
O=C([O-])[C@]1(NC(=O)COc2ccc(-c3nnn[n-]3)cc2)CCOC1	ZINC000826417337	583900262	/nfs/dbraw/zinc/90/02/62/583900262.db2.gz	NIEVJDIYWUAITG-AWEZNQCLSA-N	-2	3	333.304	-0.395	20	0		EBADHL
O=C([O-])[C@]1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCOC1	ZINC000826417337	583900265	/nfs/dbraw/zinc/90/02/65/583900265.db2.gz	NIEVJDIYWUAITG-AWEZNQCLSA-N	-2	3	333.304	-0.395	20	0		EBADHL
O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826449858	583902759	/nfs/dbraw/zinc/90/27/59/583902759.db2.gz	MJKQPLRSUUIDQP-ZETCQYMHSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826449858	583902761	/nfs/dbraw/zinc/90/27/61/583902761.db2.gz	MJKQPLRSUUIDQP-ZETCQYMHSA-N	-2	3	326.338	-0.567	20	0		EBADHL
O=C1[N-]C(=O)N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@@H]12	ZINC000826481649	583904159	/nfs/dbraw/zinc/90/41/59/583904159.db2.gz	DNOWOGJZDSPRSF-ZETCQYMHSA-N	-2	3	334.727	-0.345	20	0		EBADHL
CC(C)(CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000826567432	583908163	/nfs/dbraw/zinc/90/81/63/583908163.db2.gz	FFOFPAGLOPBVPV-UHFFFAOYSA-N	-2	3	348.153	-0.062	20	0		EBADHL
CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O	ZINC000826956524	583912629	/nfs/dbraw/zinc/91/26/29/583912629.db2.gz	UIKUWQYPNRAGJM-SSDOTTSWSA-N	-2	3	330.318	-0.208	20	0		EBADHL
CCn1cnc(S(=O)(=O)[N-]CCN2CCN(C(=O)[O-])CC2)c1	ZINC000827706577	583926299	/nfs/dbraw/zinc/92/62/99/583926299.db2.gz	KEXBNVNVSRIKBW-UHFFFAOYSA-N	-2	3	331.398	-0.523	20	0		EBADHL
C[C@H]1C[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])C(=O)N1c1cnn(C)c1	ZINC000828183820	583935423	/nfs/dbraw/zinc/93/54/23/583935423.db2.gz	KSHMIFMRLASQFO-GXSJLCMTSA-N	-2	3	344.393	-0.302	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000829889558	583959633	/nfs/dbraw/zinc/95/96/33/583959633.db2.gz	CPMGIDJCEHKZGR-QMMMGPOBSA-N	-2	3	347.349	-0.549	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000829889558	583959635	/nfs/dbraw/zinc/95/96/35/583959635.db2.gz	CPMGIDJCEHKZGR-QMMMGPOBSA-N	-2	3	347.349	-0.549	20	0		EBADHL
C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CN2CC(=O)[N-]C2=O)C1	ZINC000830819788	583971119	/nfs/dbraw/zinc/97/11/19/583971119.db2.gz	AYJMNJCDERFSGZ-NSHDSACASA-N	-2	3	336.270	-0.792	20	0		EBADHL
COC(=O)c1ccc(C[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)o1	ZINC000831385030	583982401	/nfs/dbraw/zinc/98/24/01/583982401.db2.gz	JTVNJSPQOAZHDO-UHFFFAOYSA-N	-2	3	343.317	-0.174	20	0		EBADHL
O=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])[N-]C(=O)c1cccs1	ZINC000831499617	583983870	/nfs/dbraw/zinc/98/38/70/583983870.db2.gz	SKVIQCSXEREKEE-QMMMGPOBSA-N	-2	3	342.329	-0.074	20	0		EBADHL
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000831714647	583990587	/nfs/dbraw/zinc/99/05/87/583990587.db2.gz	GDGHRDYHRVCZLB-WDEREUQCSA-N	-2	3	332.320	-0.404	20	0		EBADHL
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000831714647	583990588	/nfs/dbraw/zinc/99/05/88/583990588.db2.gz	GDGHRDYHRVCZLB-WDEREUQCSA-N	-2	3	332.320	-0.404	20	0		EBADHL
Cc1nonc1C(=O)[N-]c1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC000833023796	584003041	/nfs/dbraw/zinc/00/30/41/584003041.db2.gz	LKZNMIQCAQYXHB-UHFFFAOYSA-N	-2	3	340.317	-0.007	20	0		EBADHL
Cc1oc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)cc1C(=O)[O-]	ZINC000833028663	584003056	/nfs/dbraw/zinc/00/30/56/584003056.db2.gz	YQDFCBZDTZCQCB-LBPRGKRZSA-N	-2	3	343.317	-0.741	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)OCc2occc2C(=O)[O-])c1	ZINC000833057823	584003693	/nfs/dbraw/zinc/00/36/93/584003693.db2.gz	JLGANPPOFCTQKD-UHFFFAOYSA-N	-2	3	343.317	-0.267	20	0		EBADHL
O=C([O-])[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CC1	ZINC000833119388	584006032	/nfs/dbraw/zinc/00/60/32/584006032.db2.gz	BYVKMTZYSAFCBC-QMMMGPOBSA-N	-2	3	346.137	-0.309	20	0		EBADHL
O=C([O-])CNC(=O)CCN1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000833250912	584007544	/nfs/dbraw/zinc/00/75/44/584007544.db2.gz	WZPWMIVJEMXPOA-UHFFFAOYSA-N	-2	3	335.360	-0.259	20	0		EBADHL
CC[C@H](OC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000833647037	584013375	/nfs/dbraw/zinc/01/33/75/584013375.db2.gz	ZUCBDYRSLWTBKT-VIFPVBQESA-N	-2	3	333.366	-0.197	20	0		EBADHL
CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]OC[C@H](C)NC(=O)[O-])C1	ZINC000833863862	584017586	/nfs/dbraw/zinc/01/75/86/584017586.db2.gz	SXKWQDGADDGALE-UWVGGRQHSA-N	-2	3	337.398	-0.248	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-][C@H](Cc2ncccn2)C(=O)[O-])nc1Cl	ZINC000844812617	584097235	/nfs/dbraw/zinc/09/72/35/584097235.db2.gz	FJFMBIUIZKVOPV-SSDOTTSWSA-N	-2	3	345.768	-0.162	20	0		EBADHL
O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1	ZINC000844797394	584097315	/nfs/dbraw/zinc/09/73/15/584097315.db2.gz	TWPGMTLIJDGXHK-UHFFFAOYSA-N	-2	3	339.732	-0.257	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)CC[N-]S(=O)(=O)c1cccs1	ZINC000846496891	584127056	/nfs/dbraw/zinc/12/70/56/584127056.db2.gz	FSCYHKMAOILDBA-UHFFFAOYSA-N	-2	3	335.407	-0.400	20	0		EBADHL
O=C([N-][C@H]1C[C@H](O)C1)C(F)(F)C(F)(F)C(=O)[N-][C@H]1C[C@H](O)C1	ZINC000856394650	584268342	/nfs/dbraw/zinc/26/83/42/584268342.db2.gz	PRIDIKDTZGYPAO-NZVMNLIMSA-N	-2	3	328.262	-0.464	20	0		EBADHL
COc1cc(C(=O)[N-]c2n[n-]c(OC)n2)sc1S(N)(=O)=O	ZINC000352636996	584697099	/nfs/dbraw/zinc/69/70/99/584697099.db2.gz	KXTBWGATQANFCO-UHFFFAOYSA-N	-2	3	333.351	-0.217	20	0		EBADHL
O=C([O-])NCCCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000740652850	602349775	/nfs/dbraw/zinc/34/97/75/602349775.db2.gz	MTPAKCPCZACTBO-UHFFFAOYSA-N	-2	3	349.141	-0.515	20	0		EBADHL
CC(C)NC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000062930797	649962873	/nfs/dbraw/zinc/96/28/73/649962873.db2.gz	MRTWFPFHCVLJGW-UHFFFAOYSA-N	-4	3	345.333	-0.016	20	0		EBADHL
O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)c1cnc[n-]c1=O	ZINC000938151415	652107877	/nfs/dbraw/zinc/10/78/77/652107877.db2.gz	CWTLULNRMSBCRE-VIFPVBQESA-N	-2	3	329.316	-0.073	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC000942570272	653151616	/nfs/dbraw/zinc/15/16/16/653151616.db2.gz	VVFLVMWDVWNTBW-PSASIEDQSA-N	-2	3	347.379	-0.045	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@@H](C)C2)c1[O-]	ZINC000947205182	653334557	/nfs/dbraw/zinc/33/45/57/653334557.db2.gz	NGCUBDHGIAJNCE-WCBMZHEXSA-N	-2	3	349.395	-0.372	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CC[C@@H]2CNC(=O)c2c(C)nc[n-]c2=O)c1[O-]	ZINC000951680315	654243447	/nfs/dbraw/zinc/24/34/47/654243447.db2.gz	LFCCPWRRRMLHFV-SECBINFHSA-N	-2	3	346.347	-0.128	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1C	ZINC000967944051	724937842	/nfs/dbraw/zinc/93/78/42/724937842.db2.gz	LPRVXMMGHFJCPI-WCBMZHEXSA-N	-2	3	347.379	-0.045	20	0		EBADHL
C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1Cc1nc(=O)n(C)[n-]1	ZINC000993250125	725865557	/nfs/dbraw/zinc/86/55/57/725865557.db2.gz	PNORCOISNLLYJK-GHMZBOCLSA-N	-2	3	346.391	-0.008	20	0		EBADHL
Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC001001461764	726607244	/nfs/dbraw/zinc/60/72/44/726607244.db2.gz	ANAYZUGKEOKCDU-UHFFFAOYSA-N	-2	3	332.320	-0.579	20	0		EBADHL
O=C(c1ccccc1[O-])N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001010400684	727084034	/nfs/dbraw/zinc/08/40/34/727084034.db2.gz	KWRXPPXBRZFGQA-UHFFFAOYSA-N	-2	3	345.315	-0.413	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C)c1[O-]	ZINC001011842202	727587105	/nfs/dbraw/zinc/58/71/05/727587105.db2.gz	HHVOWJLUVMFORI-PSASIEDQSA-N	-2	3	346.347	-0.048	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@H]2C)c1[O-]	ZINC001011842204	727587199	/nfs/dbraw/zinc/58/71/99/727587199.db2.gz	HHVOWJLUVMFORI-WPRPVWTQSA-N	-2	3	346.347	-0.048	20	0		EBADHL
O=C(N[C@@H]1CC12CCN(Cc1n[nH]c(=O)[n-]1)CC2)c1cnc[n-]c1=O	ZINC001016682882	728491980	/nfs/dbraw/zinc/49/19/80/728491980.db2.gz	QOXBHFJCVGMREK-SNVBAGLBSA-N	-2	3	345.363	-0.210	20	0		EBADHL
CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1	ZINC001027456776	730216967	/nfs/dbraw/zinc/21/69/67/730216967.db2.gz	MRRXAVIXNLLSPX-VIFPVBQESA-N	-2	3	333.352	-0.258	20	0		EBADHL
Cn1[n-]c(CN2CC[C@@](C)(NC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001046262527	733898839	/nfs/dbraw/zinc/89/88/39/733898839.db2.gz	VQCVKWJSRTZCHD-OAHLLOKOSA-N	-2	3	332.364	-0.397	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1	ZINC001048998860	734606416	/nfs/dbraw/zinc/60/64/16/734606416.db2.gz	GAWCPZWYKUYVTG-AOOOYVTPSA-N	-2	3	345.363	-0.482	20	0		EBADHL
O=C(NCCN(CCO)C(=O)c1ncccc1[O-])c1cnc[n-]c1=O	ZINC001057413048	737233262	/nfs/dbraw/zinc/23/32/62/737233262.db2.gz	FXQZYANWZQNQSF-UHFFFAOYSA-N	-2	3	347.331	-0.853	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000981800438	806281926	/nfs/dbraw/zinc/28/19/26/806281926.db2.gz	YJIDRFQYTTTZCE-UHFFFAOYSA-N	-2	3	333.352	-0.338	20	0		EBADHL
Cc1n[nH]c(C(=O)NCc2cc(=O)[n-]c(CNC(=O)C3CC3)n2)c1[O-]	ZINC000984120528	807170889	/nfs/dbraw/zinc/17/08/89/807170889.db2.gz	LPQDSMIQLLCNHY-UHFFFAOYSA-N	-2	3	346.347	-0.124	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=S)nc2[nH]ccc21)[C@H](O)C(=O)[O-]	ZINC001228529248	811986265	/nfs/dbraw/zinc/98/62/65/811986265.db2.gz	SGAAEMDKDBTITN-FSPLSTOPSA-N	-3	3	341.301	-0.312	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1ccccc1-c1nnn[n-]1)[C@H](O)C(=O)[O-]	ZINC001229950626	812065067	/nfs/dbraw/zinc/06/50/67/812065067.db2.gz	NDPPTJSKMDWAEW-XCBNKYQSSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1ccccc1-c1nn[n-]n1)[C@H](O)C(=O)[O-]	ZINC001229950626	812065074	/nfs/dbraw/zinc/06/50/74/812065074.db2.gz	NDPPTJSKMDWAEW-XCBNKYQSSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C(Oc1[n-]c(=O)nc2c1SCC2)[C@H](O)COP(=O)([O-])[O-]	ZINC001230792575	812234844	/nfs/dbraw/zinc/23/48/44/812234844.db2.gz	RGVBGTGPWXSRCM-RXMQYKEDSA-N	-3	3	338.234	-0.794	20	0		EBADHL
CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1ncccc1[O-]	ZINC001085562479	816072671	/nfs/dbraw/zinc/07/26/71/816072671.db2.gz	MJTLPSXNHOCAGI-SNVBAGLBSA-N	-2	3	332.364	-0.445	20	0		EBADHL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(F)c([O-])c1	ZINC001211214780	837410034	/nfs/dbraw/zinc/41/00/34/837410034.db2.gz	JUKYODKODYAGPY-UHFFFAOYSA-N	-2	3	331.285	-0.458	20	0		EBADHL
CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)c1c(C)nc[n-]c1=O	ZINC001154806150	831364082	/nfs/dbraw/zinc/36/40/82/831364082.db2.gz	IGQWBUINRGXFLZ-MRVPVSSYSA-N	-2	3	335.368	-0.045	20	0		EBADHL
C[C@H]1[C@H]([N-]C(=O)C(F)(F)c2ccccn2)C(=O)N1S(=O)(=O)[O-]	ZINC001177302861	832774449	/nfs/dbraw/zinc/77/44/49/832774449.db2.gz	GKJUNVDJXBQTAN-XPUUQOCRSA-N	-2	3	335.288	-0.308	20	0		EBADHL
Cc1cc(O)cc([O-])c1C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001193938850	834979402	/nfs/dbraw/zinc/97/94/02/834979402.db2.gz	RXNYJJKSLZPAKH-WKEGUHRASA-N	-2	3	330.318	-0.462	20	0		EBADHL
CN1CCN(c2ccncc2C(=O)NCCOP(=O)([O-])[O-])CC1	ZINC001199360970	835799693	/nfs/dbraw/zinc/79/96/93/835799693.db2.gz	ONLYFGPAINOYKP-UHFFFAOYSA-N	-2	3	344.308	-0.328	20	0		EBADHL
COCCOCCS(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC001319240041	838092289	/nfs/dbraw/zinc/09/22/89/838092289.db2.gz	BTTGMHQIOKRZAB-UHFFFAOYSA-N	-2	3	347.393	-0.549	20	0		EBADHL
COC(=O)C[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)C(=O)[O-]	ZINC000321437198	970772186	/nfs/dbraw/zinc/77/21/86/970772186.db2.gz	VFXVNBQAXXZQEK-JTQLQIEISA-N	-2	3	325.321	-0.136	20	0		EBADHL
C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001575012160	950878461	/nfs/dbraw/zinc/87/84/61/950878461.db2.gz	XJHZYQVOWGEMNZ-ZETCQYMHSA-N	-2	3	346.355	-0.731	20	0		EBADHL
C[C@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nn1	ZINC001575068040	951630067	/nfs/dbraw/zinc/63/00/67/951630067.db2.gz	WCWPJWRAXUYZAR-MRVPVSSYSA-N	-2	3	341.335	-0.012	20	0		EBADHL
C[C@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nn1	ZINC001575068040	951630074	/nfs/dbraw/zinc/63/00/74/951630074.db2.gz	WCWPJWRAXUYZAR-MRVPVSSYSA-N	-2	3	341.335	-0.012	20	0		EBADHL
O=C([O-])C1(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCOCC1	ZINC001594857222	954250839	/nfs/dbraw/zinc/25/08/39/954250839.db2.gz	WGLBEGFEPLZLTN-SNVBAGLBSA-N	-2	3	336.348	-0.242	20	0		EBADHL
CO[C@H](C(=O)[O-])C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-]	ZINC001604423947	973204226	/nfs/dbraw/zinc/20/42/26/973204226.db2.gz	KVJHXJBJJNRNCB-XKSSXDPKSA-N	-2	3	325.321	-0.034	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001605448666	973523554	/nfs/dbraw/zinc/52/35/54/973523554.db2.gz	HLCZIZXXJZEIDN-DTORHVGOSA-N	-2	3	331.350	-0.451	20	0		EBADHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCN2C(=O)CCCC2=O)o1	ZINC000405450558	973882584	/nfs/dbraw/zinc/88/25/84/973882584.db2.gz	OZFICXAFFWWWFH-UHFFFAOYSA-N	-2	3	330.318	-0.205	20	0		EBADHL
CCN(CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1nc(=O)n(C)[n-]1	ZINC001596326975	983761415	/nfs/dbraw/zinc/76/14/15/983761415.db2.gz	OIYHUCFNVKOGQZ-UWVGGRQHSA-N	-2	3	325.369	-0.843	20	0		EBADHL
CC(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1[O-]	ZINC001589275431	985982420	/nfs/dbraw/zinc/98/24/20/985982420.db2.gz	CCGUCVNKXBUWMT-NSHDSACASA-N	-2	3	341.341	-0.081	20	0		EBADHL
CS(C)(=O)=NS(=O)(=O)[N-][C@H](CC1CCOCC1)C(=O)[O-]	ZINC001599781104	992364633	/nfs/dbraw/zinc/36/46/33/992364633.db2.gz	LZRBQUMHAOHASV-SECBINFHSA-N	-2	3	328.412	-0.182	20	0		EBADHL
CNS(=O)(=O)CCC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001598672397	994779942	/nfs/dbraw/zinc/77/99/42/994779942.db2.gz	QHMBAXVUCXFNBB-UHFFFAOYSA-N	-2	3	343.408	-0.941	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)NCC(F)(F)F	ZINC001593326393	994876154	/nfs/dbraw/zinc/87/61/54/994876154.db2.gz	TZBMIJVTGYSAII-BYPYZUCNSA-N	-2	3	344.271	-0.547	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@@H]1CN(C)CCN1C	ZINC001593348188	994963808	/nfs/dbraw/zinc/96/38/08/994963808.db2.gz	YQOACXBZZZETEJ-BDAKNGLRSA-N	-2	3	348.450	-0.246	20	0		EBADHL
COC(=O)[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598696729	995151680	/nfs/dbraw/zinc/15/16/80/995151680.db2.gz	KOHSMBQIQMKVGK-MMWGEVLESA-N	-2	3	335.378	-0.120	20	0		EBADHL
COC(=O)[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@@H]1C(=O)[O-]	ZINC001598810862	996230537	/nfs/dbraw/zinc/23/05/37/996230537.db2.gz	MEINMICGDAUVHI-WDEREUQCSA-N	-2	3	337.332	-0.245	20	0		EBADHL
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1	ZINC001599192746	997154378	/nfs/dbraw/zinc/15/43/78/997154378.db2.gz	XAXZKICYTVTGSP-CQSZACIVSA-N	-2	3	332.320	-0.033	20	0		EBADHL
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1	ZINC001599192746	997154386	/nfs/dbraw/zinc/15/43/86/997154386.db2.gz	XAXZKICYTVTGSP-CQSZACIVSA-N	-2	3	332.320	-0.033	20	0		EBADHL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@]1(C(=O)[O-])CCOC1	ZINC001598912345	997394023	/nfs/dbraw/zinc/39/40/23/997394023.db2.gz	SIBCREGVDQLLAT-LBPRGKRZSA-N	-2	3	347.349	-0.726	20	0		EBADHL
COC[C@@](C)([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)OC	ZINC001599156567	998382650	/nfs/dbraw/zinc/38/26/50/998382650.db2.gz	MMYNDHLEQGINQC-SNVBAGLBSA-N	-2	3	338.363	-0.302	20	0		EBADHL
C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CS1(=O)=O	ZINC001594327508	999258739	/nfs/dbraw/zinc/25/87/39/999258739.db2.gz	YSGQLRCWEUZYHD-RNFRBKRXSA-N	-2	3	337.379	-0.648	20	0		EBADHL
C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CS1(=O)=O	ZINC001594327509	999258898	/nfs/dbraw/zinc/25/88/98/999258898.db2.gz	YSGQLRCWEUZYHD-RQJHMYQMSA-N	-2	3	337.379	-0.648	20	0		EBADHL
Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001409567243	1126377776	/nfs/dbraw/zinc/37/77/76/1126377776.db2.gz	MAEUWIMUGSARCI-SECBINFHSA-N	-2	3	349.395	-0.116	20	0		EBADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCCS(=O)(=O)C1	ZINC000134712031	376032737	/nfs/dbraw/zinc/03/27/37/376032737.db2.gz	MNXKWKQKGGCNHJ-ZCFIWIBFSA-N	-2	3	340.404	-0.303	20	0		EBADHL
C[C@](O)(CNC(=O)CC[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000090274840	376244140	/nfs/dbraw/zinc/24/41/40/376244140.db2.gz	RVFKZYXFDAUEGU-NSHDSACASA-N	-2	3	336.391	-0.632	20	0		EBADHL
CN(CC(=O)[O-])C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000621829792	379363012	/nfs/dbraw/zinc/36/30/12/379363012.db2.gz	KKYVGNFGNXXFGL-OAHLLOKOSA-N	-2	3	334.332	-0.033	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC(C(=O)[O-])C2)s1	ZINC000621828561	379363553	/nfs/dbraw/zinc/36/35/53/379363553.db2.gz	IZBXAGZVFMMOIW-UHFFFAOYSA-N	-2	3	333.391	-0.118	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]c2n[n-]c(C3CCC3)n2)c(=O)n(C)c1=O	ZINC000274196717	379676688	/nfs/dbraw/zinc/67/66/88/379676688.db2.gz	MAXRBVDUFOGRSO-UHFFFAOYSA-N	-2	3	340.365	-0.730	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](CCO)C(=O)[O-]	ZINC000274938012	379724499	/nfs/dbraw/zinc/72/44/99/379724499.db2.gz	QKWZWDIYFUYVTE-SECBINFHSA-N	-2	3	335.309	-0.274	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-])nc1Cl	ZINC000275820343	379783142	/nfs/dbraw/zinc/78/31/42/379783142.db2.gz	YZVBTAWWWPIYMC-SNVBAGLBSA-N	-2	3	325.774	-0.175	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)nc1C	ZINC000547566269	380146031	/nfs/dbraw/zinc/14/60/31/380146031.db2.gz	UDDCGMKZSPYPFA-SNVBAGLBSA-N	-2	3	344.393	-0.577	20	0		EBADHL
CCn1cnc(S(=O)(=O)[N-][C@@H](Cn2cc(C)cn2)C(=O)[O-])c1	ZINC000547876879	380168107	/nfs/dbraw/zinc/16/81/07/380168107.db2.gz	PVYSCOCNORKCJH-JTQLQIEISA-N	-2	3	327.366	-0.160	20	0		EBADHL
COC(=O)Cc1ccc(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])s1	ZINC000547896831	380169893	/nfs/dbraw/zinc/16/98/93/380169893.db2.gz	QWCBFPQHTDSWPU-QMMMGPOBSA-N	-2	3	337.375	-0.159	20	0		EBADHL
COC(=O)Cc1ccc(S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-])s1	ZINC000547896830	380170249	/nfs/dbraw/zinc/17/02/49/380170249.db2.gz	QWCBFPQHTDSWPU-MRVPVSSYSA-N	-2	3	337.375	-0.159	20	0		EBADHL
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2ccc3c(c2)COC3)nn1	ZINC000548594180	380218093	/nfs/dbraw/zinc/21/80/93/380218093.db2.gz	HMNSLHIFXBXIQT-UHFFFAOYSA-N	-2	3	338.345	-0.129	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000565965755	380441972	/nfs/dbraw/zinc/44/19/72/380441972.db2.gz	VLZHJIXNNVOETJ-MRVPVSSYSA-N	-2	3	333.322	-0.940	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000565965755	380441977	/nfs/dbraw/zinc/44/19/77/380441977.db2.gz	VLZHJIXNNVOETJ-MRVPVSSYSA-N	-2	3	333.322	-0.940	20	0		EBADHL
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cccc3c2OCC3)nn1	ZINC000576633795	380780097	/nfs/dbraw/zinc/78/00/97/380780097.db2.gz	POGZPDXRNGKHSS-UHFFFAOYSA-N	-2	3	338.345	-0.224	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N([C@@H](C)C(=O)[O-])C2CC2)cn1C	ZINC000417437197	380886604	/nfs/dbraw/zinc/88/66/04/380886604.db2.gz	QGLFYUZNKTZCGL-QMMMGPOBSA-N	-2	3	344.393	-0.529	20	0		EBADHL
O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)C2)c1	ZINC000021518217	381140658	/nfs/dbraw/zinc/14/06/58/381140658.db2.gz	AXUPECNBRXTBAJ-SSDOTTSWSA-N	-2	3	325.389	-0.088	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)nc1C	ZINC000387446851	381159045	/nfs/dbraw/zinc/15/90/45/381159045.db2.gz	PYRZCJJDJPEEHG-UHFFFAOYSA-N	-2	3	328.354	-0.634	20	0		EBADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1	ZINC000347426052	381217684	/nfs/dbraw/zinc/21/76/84/381217684.db2.gz	JVGKTAFUTXJJEB-UHFFFAOYSA-N	-2	3	347.374	-0.713	20	0		EBADHL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)c1	ZINC000565161550	381608148	/nfs/dbraw/zinc/60/81/48/381608148.db2.gz	FNHUAEXHPUZSIR-ZDUSSCGKSA-N	-2	3	346.336	-0.245	20	0		EBADHL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)c1	ZINC000565161536	381607661	/nfs/dbraw/zinc/60/76/61/381607661.db2.gz	FNHUAEXHPUZSIR-CYBMUJFWSA-N	-2	3	346.336	-0.245	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-]	ZINC000275088756	292001862	/nfs/dbraw/zinc/00/18/62/292001862.db2.gz	OOVJPUBPNWJDDR-QMMMGPOBSA-N	-2	3	348.308	-0.781	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c(C)o1	ZINC000376737267	292004957	/nfs/dbraw/zinc/00/49/57/292004957.db2.gz	AMLHSDVYKDXSOD-GFCCVEGCSA-N	-2	3	333.318	-0.103	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000315251081	155175602	/nfs/dbraw/zinc/17/56/02/155175602.db2.gz	ZXZRIZNBHMWYRU-NSHDSACASA-N	-2	3	328.346	-0.016	20	0		EBADHL
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]CC(=O)[O-])c1	ZINC000261820095	154202292	/nfs/dbraw/zinc/20/22/92/154202292.db2.gz	HZWQWNSKKANWSE-UHFFFAOYSA-N	-2	3	331.302	-0.377	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000262055711	154210168	/nfs/dbraw/zinc/21/01/68/154210168.db2.gz	GFRXUUSDOGMYBB-PRHODGIISA-N	-2	3	348.402	-0.225	20	0		EBADHL
COC[C@](C)(NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-]	ZINC000262193193	154217088	/nfs/dbraw/zinc/21/70/88/154217088.db2.gz	QCNGQOUVYLXOFW-INIZCTEOSA-N	-2	3	349.343	-0.314	20	0		EBADHL
O=C([O-])[C@]1(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CCOC1	ZINC000262222500	154218973	/nfs/dbraw/zinc/21/89/73/154218973.db2.gz	UCNDNDVDNWSTEL-INIZCTEOSA-N	-2	3	347.327	-0.560	20	0		EBADHL
CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000262412524	154230485	/nfs/dbraw/zinc/23/04/85/154230485.db2.gz	XYEIMSYLQRWPDM-SNVBAGLBSA-N	-2	3	346.409	-0.234	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000262496288	154233809	/nfs/dbraw/zinc/23/38/09/154233809.db2.gz	HCCWZTDZLKTOHU-POYBYMJQSA-N	-2	3	333.366	-0.205	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000263268919	154256312	/nfs/dbraw/zinc/25/63/12/154256312.db2.gz	HXDNCJILNFQMBT-HTQZYQBOSA-N	-2	3	333.366	-0.110	20	0		EBADHL
C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000263292454	154257736	/nfs/dbraw/zinc/25/77/36/154257736.db2.gz	YYGTUDODMWHMCG-NXEZZACHSA-N	-2	3	344.393	-0.590	20	0		EBADHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1	ZINC000342788338	156057922	/nfs/dbraw/zinc/05/79/22/156057922.db2.gz	YXLCFOPHKJDVMG-UHFFFAOYSA-N	-2	3	326.334	-0.117	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NCc2cnc(C)[n-]c2=O)co1	ZINC000345110882	156302739	/nfs/dbraw/zinc/30/27/39/156302739.db2.gz	PDQOYOJMCBDIJE-UHFFFAOYSA-N	-2	3	326.334	-0.078	20	0		EBADHL
CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000647744940	419246718	/nfs/dbraw/zinc/24/67/18/419246718.db2.gz	MLKITACHIVTUNE-UHFFFAOYSA-N	-2	3	348.381	-0.749	20	0		EBADHL
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000647743874	419246920	/nfs/dbraw/zinc/24/69/20/419246920.db2.gz	FZLBUUBOGHQMOL-SNVBAGLBSA-N	-2	3	332.382	-0.130	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	ZINC000278780277	419327338	/nfs/dbraw/zinc/32/73/38/419327338.db2.gz	UGUKKOODPFHVFH-APPZFPTMSA-N	-2	3	347.349	-0.551	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	ZINC000278780277	419327339	/nfs/dbraw/zinc/32/73/39/419327339.db2.gz	UGUKKOODPFHVFH-APPZFPTMSA-N	-2	3	347.349	-0.551	20	0		EBADHL
CCc1nc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])cn1CC1CC1	ZINC000663287424	421128955	/nfs/dbraw/zinc/12/89/55/421128955.db2.gz	ZNBVCHGLRRPYKG-JTQLQIEISA-N	-2	3	331.394	-0.031	20	0		EBADHL
C[C@H]1CCc2onc(C(=O)[N-]c3n[n-]c(S(C)(=O)=O)n3)c2C1	ZINC000434511201	421207931	/nfs/dbraw/zinc/20/79/31/421207931.db2.gz	BYLMQYCTLOWODE-LURJTMIESA-N	-2	3	325.350	0.573	20	0		EBADHL
O=C([O-])Cn1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)n1	ZINC000362591934	421291816	/nfs/dbraw/zinc/29/18/16/421291816.db2.gz	LYOBVNYUOBKKOE-UHFFFAOYSA-N	-2	3	344.374	-0.054	20	0		EBADHL
CC(=O)NCc1ccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)s1	ZINC000439192413	265265467	/nfs/dbraw/zinc/26/54/67/265265467.db2.gz	STCOKVPUACOJJB-UHFFFAOYSA-N	-2	3	346.390	-0.419	20	0		EBADHL
CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)s1	ZINC000376739886	278124811	/nfs/dbraw/zinc/12/48/11/278124811.db2.gz	NOOSEAWZCMOTOU-LBPRGKRZSA-N	-2	3	348.402	-0.094	20	0		EBADHL
NC(=O)CC[C@H]([N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275138408	303248043	/nfs/dbraw/zinc/24/80/43/303248043.db2.gz	WJTFFCKDVDRJOR-ZETCQYMHSA-N	-2	3	328.306	-0.780	20	0		EBADHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c(F)c1	ZINC000318950302	545729610	/nfs/dbraw/zinc/72/96/10/545729610.db2.gz	IQXRPKXXJPYKKY-JTQLQIEISA-N	-2	3	334.325	-0.102	20	0		EBADHL
C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@@H](C)C(=O)Nc1ncccc1[O-]	ZINC000673507789	546141397	/nfs/dbraw/zinc/14/13/97/546141397.db2.gz	CDYFRSWSDAJWGY-HLTSFMKQSA-N	-2	3	349.347	-0.535	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)[N-]O[C@H]2CCCCO2)cn1C	ZINC000725898276	582595741	/nfs/dbraw/zinc/59/57/41/582595741.db2.gz	LPTFOANOHJMKTB-LBPRGKRZSA-N	-2	3	332.382	-0.419	20	0		EBADHL
O=C1[N-]C(=O)C2(CN(Cc3ncc(Br)cc3[O-])C2)N1	ZINC000897899496	582712908	/nfs/dbraw/zinc/71/29/08/582712908.db2.gz	ARBAFWXZJYTYQR-UHFFFAOYSA-N	-2	3	327.138	-0.057	20	0		EBADHL
C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000736540513	582939314	/nfs/dbraw/zinc/93/93/14/582939314.db2.gz	ITYVVCNYKQRENV-PWSUYJOCSA-N	-2	3	349.391	-0.510	20	0		EBADHL
C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)N1CCN(C)CC1	ZINC000736607098	582946969	/nfs/dbraw/zinc/94/69/69/582946969.db2.gz	PCDYAIWSAVXYAF-SNVBAGLBSA-N	-2	3	331.394	-0.108	20	0		EBADHL
COC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000736969587	582978503	/nfs/dbraw/zinc/97/85/03/582978503.db2.gz	WWUNSENHNRZKDP-QMMMGPOBSA-N	-2	3	325.350	-0.046	20	0		EBADHL
COC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000736969587	582978505	/nfs/dbraw/zinc/97/85/05/582978505.db2.gz	WWUNSENHNRZKDP-QMMMGPOBSA-N	-2	3	325.350	-0.046	20	0		EBADHL
CN(CC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000737393920	583007163	/nfs/dbraw/zinc/00/71/63/583007163.db2.gz	URIUPZJFLRDSQP-OAHLLOKOSA-N	-2	3	334.332	-0.033	20	0		EBADHL
Cn1c(=O)c(-c2nnn[n-]2)c(NCc2ccc([O-])c(F)c2)n(C)c1=O	ZINC000737597614	583018939	/nfs/dbraw/zinc/01/89/39/583018939.db2.gz	SXBASSGZUBGUBY-UHFFFAOYSA-N	-2	3	347.310	-0.279	20	0		EBADHL
Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccc([O-])c(F)c2)n(C)c1=O	ZINC000737597614	583018942	/nfs/dbraw/zinc/01/89/42/583018942.db2.gz	SXBASSGZUBGUBY-UHFFFAOYSA-N	-2	3	347.310	-0.279	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)NN=c2nc(OC)cc[n-]2)c[n-]1	ZINC000743253195	583084674	/nfs/dbraw/zinc/08/46/74/583084674.db2.gz	KTOKIJVOIJRKEI-UHFFFAOYSA-N	-2	3	327.322	-0.095	20	0		EBADHL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1	ZINC000753770440	583162920	/nfs/dbraw/zinc/16/29/20/583162920.db2.gz	QHCFDZBCCYYBLI-UHFFFAOYSA-N	-3	3	348.308	-0.689	20	0		EBADHL
COCCN(C)S(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC000757339814	583190710	/nfs/dbraw/zinc/19/07/10/583190710.db2.gz	NGOBJRPZWNLHCV-UHFFFAOYSA-N	-2	3	332.382	-0.719	20	0		EBADHL
Cn1cc([C@@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)C(=O)[O-])cn1	ZINC000776496167	583404852	/nfs/dbraw/zinc/40/48/52/583404852.db2.gz	RTTHUTGDISEHED-SSDOTTSWSA-N	-2	3	333.757	-0.089	20	0		EBADHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]Cc2nnn(C)n2)c1F	ZINC000781969452	583463962	/nfs/dbraw/zinc/46/39/62/583463962.db2.gz	JVFLZPCBFCNGEF-UHFFFAOYSA-N	-2	3	329.313	-0.166	20	0		EBADHL
CO[N-]C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000785368986	583496064	/nfs/dbraw/zinc/49/60/64/583496064.db2.gz	QQMCMHWPIQIMLV-UHFFFAOYSA-N	-2	3	331.325	-0.118	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c(F)c1	ZINC000794576513	583583674	/nfs/dbraw/zinc/58/36/74/583583674.db2.gz	KXUGEZPMKCOSLT-UHFFFAOYSA-N	-2	3	348.308	-0.909	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]OC1CCOCC1	ZINC000811163089	583689645	/nfs/dbraw/zinc/68/96/45/583689645.db2.gz	DWAALDKWPUXLIK-UHFFFAOYSA-N	-2	3	333.366	-0.203	20	0		EBADHL
CCn1ncn([N-]C(=O)c2ccccc2[N-]S(C)(=O)=O)c1=O	ZINC000820396720	583772598	/nfs/dbraw/zinc/77/25/98/583772598.db2.gz	MTTMOVFWGDEVOH-UHFFFAOYSA-N	-2	3	325.350	-0.180	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(N)=O	ZINC000820437602	583772955	/nfs/dbraw/zinc/77/29/55/583772955.db2.gz	AGNSIOVWOGZZSJ-SCSAIBSYSA-N	-2	3	332.292	-0.703	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(N)=O	ZINC000820437602	583772956	/nfs/dbraw/zinc/77/29/56/583772956.db2.gz	AGNSIOVWOGZZSJ-SCSAIBSYSA-N	-2	3	332.292	-0.703	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCCN2CC(=O)[O-])o1	ZINC000820645213	583776861	/nfs/dbraw/zinc/77/68/61/583776861.db2.gz	BCWYZQYOVPDQBL-VIFPVBQESA-N	-2	3	346.361	-0.107	20	0		EBADHL
CCOCCS(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C	ZINC000821383300	583790555	/nfs/dbraw/zinc/79/05/55/583790555.db2.gz	BSOVMPIZTAFVQU-UHFFFAOYSA-N	-2	3	328.354	-0.699	20	0		EBADHL
CCOCCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C	ZINC000821383300	583790557	/nfs/dbraw/zinc/79/05/57/583790557.db2.gz	BSOVMPIZTAFVQU-UHFFFAOYSA-N	-2	3	328.354	-0.699	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000822645929	583815638	/nfs/dbraw/zinc/81/56/38/583815638.db2.gz	XIXNWDPDBBJFNN-UHFFFAOYSA-N	-2	3	337.321	-0.547	20	0		EBADHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000822645929	583815639	/nfs/dbraw/zinc/81/56/39/583815639.db2.gz	XIXNWDPDBBJFNN-UHFFFAOYSA-N	-2	3	337.321	-0.547	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000824731364	583849737	/nfs/dbraw/zinc/84/97/37/583849737.db2.gz	UZMCPNBZUZXXJW-RFAUZJTJSA-N	-2	3	347.331	-0.006	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000824731364	583849738	/nfs/dbraw/zinc/84/97/38/583849738.db2.gz	UZMCPNBZUZXXJW-RFAUZJTJSA-N	-2	3	347.331	-0.006	20	0		EBADHL
CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)COC1	ZINC000824784383	583850174	/nfs/dbraw/zinc/85/01/74/583850174.db2.gz	RRCFTLRRNBHHPP-UHFFFAOYSA-N	-2	3	337.361	-0.151	20	0		EBADHL
CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)COC1	ZINC000824784383	583850176	/nfs/dbraw/zinc/85/01/76/583850176.db2.gz	RRCFTLRRNBHHPP-UHFFFAOYSA-N	-2	3	337.361	-0.151	20	0		EBADHL
CN(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1	ZINC000825883466	583869767	/nfs/dbraw/zinc/86/97/67/583869767.db2.gz	HRKPSOWQKIPWSY-UHFFFAOYSA-N	-2	3	347.364	-0.082	20	0		EBADHL
C[C@H](C(=O)NCC(=O)[O-])N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000826000726	583873502	/nfs/dbraw/zinc/87/35/02/583873502.db2.gz	QLYZYXBUROTGJD-LLVKDONJSA-N	-2	3	335.360	-0.261	20	0		EBADHL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N	ZINC000826124414	583880665	/nfs/dbraw/zinc/88/06/65/583880665.db2.gz	BQWMNLZWTKBSAM-WDSKDSINSA-N	-2	3	341.324	-0.297	20	0		EBADHL
NC(=O)CO[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1	ZINC000826391682	583896834	/nfs/dbraw/zinc/89/68/34/583896834.db2.gz	WWRHWXBZEKYEGR-NSHDSACASA-N	-2	3	331.336	-0.631	20	0		EBADHL
NC(=O)CO[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1	ZINC000826391682	583896835	/nfs/dbraw/zinc/89/68/35/583896835.db2.gz	WWRHWXBZEKYEGR-NSHDSACASA-N	-2	3	331.336	-0.631	20	0		EBADHL
C[C@H](CN(C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C1CC1)C(=O)[O-]	ZINC000827433014	583921397	/nfs/dbraw/zinc/92/13/97/583921397.db2.gz	SSUDVOXZUSPYLD-SECBINFHSA-N	-2	3	344.393	-0.590	20	0		EBADHL
CCn1cnc(S(=O)(=O)[N-]CCCN2CCN(C(=O)[O-])CC2)c1	ZINC000827705950	583926302	/nfs/dbraw/zinc/92/63/02/583926302.db2.gz	GNFQMGGSCBAODE-UHFFFAOYSA-N	-2	3	345.425	-0.133	20	0		EBADHL
C[C@@H]1C[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])C(=O)N1c1cnn(C)c1	ZINC000828183824	583935543	/nfs/dbraw/zinc/93/55/43/583935543.db2.gz	KSHMIFMRLASQFO-MWLCHTKSSA-N	-2	3	344.393	-0.302	20	0		EBADHL
Cc1cc(CS(=O)(=O)[N-]CC(=O)N2CCN(C(=O)[O-])CC2)on1	ZINC000830046185	583962455	/nfs/dbraw/zinc/96/24/55/583962455.db2.gz	XQAHIQXLBRWJLL-UHFFFAOYSA-N	-2	3	346.365	-0.775	20	0		EBADHL
O=C(COC(=O)COC1CN(C(=O)[O-])C1)[N-]C(=O)c1cccs1	ZINC000831507451	583983928	/nfs/dbraw/zinc/98/39/28/583983928.db2.gz	LGRXHDRBGYVFAL-UHFFFAOYSA-N	-2	3	342.329	-0.074	20	0		EBADHL
O=C(COC1CN(C(=O)[O-])C1)NCCNC(=O)c1ccc([O-])cc1	ZINC000831533061	583984314	/nfs/dbraw/zinc/98/43/14/583984314.db2.gz	BOJPARBQGMUQMV-UHFFFAOYSA-N	-2	3	337.332	-0.383	20	0		EBADHL
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000831714646	583990581	/nfs/dbraw/zinc/99/05/81/583990581.db2.gz	GDGHRDYHRVCZLB-QWRGUYRKSA-N	-2	3	332.320	-0.404	20	0		EBADHL
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000831714646	583990582	/nfs/dbraw/zinc/99/05/82/583990582.db2.gz	GDGHRDYHRVCZLB-QWRGUYRKSA-N	-2	3	332.320	-0.404	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000833022922	584003111	/nfs/dbraw/zinc/00/31/11/584003111.db2.gz	MCZRJSNKVRXOPP-UHFFFAOYSA-N	-2	3	345.377	-0.107	20	0		EBADHL
O=C([O-])Cn1cc(CCOC(=O)CNC(=O)c2ccc([O-])cc2)nn1	ZINC000833271515	584008033	/nfs/dbraw/zinc/00/80/33/584008033.db2.gz	FSCCZOBJAKDBOO-UHFFFAOYSA-N	-2	3	348.315	-0.416	20	0		EBADHL
CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000833665088	584013476	/nfs/dbraw/zinc/01/34/76/584013476.db2.gz	DFBRUXCPLFMKOT-LURJTMIESA-N	-2	3	339.395	-0.482	20	0		EBADHL
O=C([O-])N1CCc2ncc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2C1	ZINC000834012568	584024158	/nfs/dbraw/zinc/02/41/58/584024158.db2.gz	DMOHMSSNYBCRNY-JTQLQIEISA-N	-2	3	333.304	-0.346	20	0		EBADHL
O=C([O-])N1CCN(C(=O)C[N-]C(=O)C(F)(F)C2(O)CCC2)CC1	ZINC000834114849	584026524	/nfs/dbraw/zinc/02/65/24/584026524.db2.gz	GWGKIFOSTBLWMB-UHFFFAOYSA-N	-2	3	335.307	-0.525	20	0		EBADHL
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1	ZINC000834289486	584030693	/nfs/dbraw/zinc/03/06/93/584030693.db2.gz	MSVWFRVNFIQDPK-OUAUKWLOSA-N	-2	3	338.364	-0.035	20	0		EBADHL
O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)CC1	ZINC000834288504	584030697	/nfs/dbraw/zinc/03/06/97/584030697.db2.gz	GHHPFFYLRVVQFY-RFAUZJTJSA-N	-2	3	336.348	-0.423	20	0		EBADHL
O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1	ZINC000834289484	584030717	/nfs/dbraw/zinc/03/07/17/584030717.db2.gz	MSVWFRVNFIQDPK-GARJFASQSA-N	-2	3	338.364	-0.035	20	0		EBADHL
O=C([O-])N1CCC(CCC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CC1	ZINC000834291085	584030893	/nfs/dbraw/zinc/03/08/93/584030893.db2.gz	WOFMJJDTRCCRHD-NSHDSACASA-N	-2	3	338.364	-0.081	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1	ZINC000844659481	584095391	/nfs/dbraw/zinc/09/53/91/584095391.db2.gz	UBTSKZMABAJYFS-UHFFFAOYSA-N	-2	3	348.356	-0.077	20	0		EBADHL
COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1	ZINC000848675713	584160395	/nfs/dbraw/zinc/16/03/95/584160395.db2.gz	HSJCGMRGRUKWSH-QMMMGPOBSA-N	-2	3	335.309	-0.355	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1	ZINC000737014851	598740019	/nfs/dbraw/zinc/74/00/19/598740019.db2.gz	RJIOLBFMTWTXKA-UHFFFAOYSA-N	-2	3	341.349	-0.662	20	0		EBADHL
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000739201274	600668339	/nfs/dbraw/zinc/66/83/39/600668339.db2.gz	NLQFCKHCNAGDDN-QMMMGPOBSA-N	-2	3	348.315	-0.151	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(N)=O	ZINC000055313525	602141681	/nfs/dbraw/zinc/14/16/81/602141681.db2.gz	ZTACDTJOCPYHPA-VKHMYHEASA-N	-2	3	341.139	-0.108	20	0		EBADHL
NS(=O)(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)cc1	ZINC000029048879	649935923	/nfs/dbraw/zinc/93/59/23/649935923.db2.gz	CTJSFDFHXPLODG-UHFFFAOYSA-N	-2	3	347.418	-0.166	20	0		EBADHL
O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccccc1[O-]	ZINC000939496714	652945803	/nfs/dbraw/zinc/94/58/03/652945803.db2.gz	NXWBFKGTZGRFOL-MRVPVSSYSA-N	-2	3	345.315	-0.367	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C2)c1[O-]	ZINC000940049099	653076781	/nfs/dbraw/zinc/07/67/81/653076781.db2.gz	AEBOTZBELQKATF-SECBINFHSA-N	-2	3	346.347	-0.128	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1C	ZINC000942570275	653151883	/nfs/dbraw/zinc/15/18/83/653151883.db2.gz	VVFLVMWDVWNTBW-WPRPVWTQSA-N	-2	3	347.379	-0.045	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2c(C)nc[n-]c2=O)c1[O-]	ZINC000949400690	653885792	/nfs/dbraw/zinc/88/57/92/653885792.db2.gz	KONVDARSZLHBQW-SECBINFHSA-N	-2	3	346.347	-0.128	20	0		EBADHL
O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)c1ncccc1[O-]	ZINC000962433962	723251500	/nfs/dbraw/zinc/25/15/00/723251500.db2.gz	BLCHHIJABCXSNX-SKDRFNHKSA-N	-2	3	344.327	-0.497	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1C	ZINC000967944052	724937805	/nfs/dbraw/zinc/93/78/05/724937805.db2.gz	LPRVXMMGHFJCPI-WPRPVWTQSA-N	-2	3	347.379	-0.045	20	0		EBADHL
O=C(N[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1)c1ncccc1[O-]	ZINC000973197545	725667343	/nfs/dbraw/zinc/66/73/43/725667343.db2.gz	MTEZYGKCZLIKCA-KYZUINATSA-N	-2	3	329.316	-0.026	20	0		EBADHL
O=C(N[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1)c1ncccc1[O-]	ZINC000974057219	725859602	/nfs/dbraw/zinc/85/96/02/725859602.db2.gz	MTEZYGKCZLIKCA-DTORHVGOSA-N	-2	3	329.316	-0.026	20	0		EBADHL
C[C@H]1[C@H](NC(=O)c2cnc[n-]c2=O)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC000993476408	725893177	/nfs/dbraw/zinc/89/31/77/725893177.db2.gz	HIMZICSKWWPWSL-WCBMZHEXSA-N	-2	3	333.352	-0.211	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CCC(CNCc3n[nH]c(=O)[n-]3)CC2)c1[O-]	ZINC000997685102	726460126	/nfs/dbraw/zinc/46/01/26/726460126.db2.gz	BXGSGAHEMRLPCV-UHFFFAOYSA-N	-2	3	335.368	-0.111	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CC(CNC(=O)c3c(C)nc[n-]c3=O)C2)c1[O-]	ZINC001003762413	726689453	/nfs/dbraw/zinc/68/94/53/726689453.db2.gz	HWROJERKFZQZDA-UHFFFAOYSA-N	-2	3	346.347	-0.270	20	0		EBADHL
O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cc(=O)[n-]c(C2CC2)n1	ZINC001031753162	730762837	/nfs/dbraw/zinc/76/28/37/730762837.db2.gz	FPKBBYVMBHBRPW-UHFFFAOYSA-N	-2	3	345.363	-0.255	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001033346493	731012364	/nfs/dbraw/zinc/01/23/64/731012364.db2.gz	IFQYQIOJJKQAMX-SECBINFHSA-N	-2	3	333.352	-0.339	20	0		EBADHL
CCN(C(=O)c1cnc[n-]c1=O)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001033871636	731082490	/nfs/dbraw/zinc/08/24/90/731082490.db2.gz	NQDKIVHRJDSKEA-VIFPVBQESA-N	-2	3	333.352	-0.258	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CC2(C1)CCN(Cc1n[nH]c(=O)[n-]1)CC2	ZINC001050557263	734925655	/nfs/dbraw/zinc/92/56/55/734925655.db2.gz	WTZRGLCKPQVJLX-UHFFFAOYSA-N	-2	3	345.363	-0.256	20	0		EBADHL
O=C(NC[C@@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccccc1[O-]	ZINC001050824061	734967213	/nfs/dbraw/zinc/96/72/13/734967213.db2.gz	GBHNTTVQKUHSPB-SNVBAGLBSA-N	-2	3	333.348	-0.153	20	0		EBADHL
C[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)CN1Cc1n[nH]c(=O)[n-]1	ZINC001071600516	741175543	/nfs/dbraw/zinc/17/55/43/741175543.db2.gz	LZDPDQHHCPSUJQ-DTWKUNHWSA-N	-2	3	333.352	-0.211	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)c2cnc[n-]c2=O)c1[O-]	ZINC001077077725	742720150	/nfs/dbraw/zinc/72/01/50/742720150.db2.gz	WDXNDDXYSYZHNL-ZETCQYMHSA-N	-2	3	334.336	-0.142	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CC2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)C2	ZINC000981835627	806297280	/nfs/dbraw/zinc/29/72/80/806297280.db2.gz	UZRCICPINLDDLT-UHFFFAOYSA-N	-2	3	345.363	-0.256	20	0		EBADHL
CCNS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694152277	803785113	/nfs/dbraw/zinc/78/51/13/803785113.db2.gz	VZQFXUXFLNCLRX-UHFFFAOYSA-N	-2	3	326.352	-0.805	20	0		EBADHL
O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc(C2CC2)[n-]c1=O	ZINC001015802651	810585056	/nfs/dbraw/zinc/58/50/56/810585056.db2.gz	CWFTYJNSJRSLTC-SECBINFHSA-N	-2	3	345.363	-0.112	20	0		EBADHL
Cc1nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c(C)c(=O)[n-]1	ZINC001229687171	812049214	/nfs/dbraw/zinc/04/92/14/812049214.db2.gz	YNNCESJFUWOEDY-LLVKDONJSA-N	-2	3	347.393	-0.234	20	0		EBADHL
O=C(Oc1ccccc1-c1nnn[n-]1)[C@H](O)COP(=O)([O-])[O-]	ZINC001229950889	812064878	/nfs/dbraw/zinc/06/48/78/812064878.db2.gz	OJMUYMMUURPOKO-SSDOTTSWSA-N	-3	3	330.193	-0.758	20	0		EBADHL
O=C(Oc1ccccc1-c1nn[n-]n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001229950889	812064885	/nfs/dbraw/zinc/06/48/85/812064885.db2.gz	OJMUYMMUURPOKO-SSDOTTSWSA-N	-3	3	330.193	-0.758	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)NCCCc2c[n-][nH]c2=O)ccc1O	ZINC001260401676	812832053	/nfs/dbraw/zinc/83/20/53/812832053.db2.gz	AIMQDGHVQLMWSE-MRVPVSSYSA-N	-2	3	341.345	-0.119	20	0		EBADHL
O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccc1[O-]	ZINC001090081919	817014716	/nfs/dbraw/zinc/01/47/16/817014716.db2.gz	DEBGRUPHFUGFSW-PWSUYJOCSA-N	-2	3	333.348	-0.419	20	0		EBADHL
Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2[O-])C3)nc1=O	ZINC001095345238	818607588	/nfs/dbraw/zinc/60/75/88/818607588.db2.gz	LOCBMIWQDACKSF-VWYCJHECSA-N	-2	3	344.375	-0.256	20	0		EBADHL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1c(F)ccc([O-])c1F	ZINC001175263307	832619995	/nfs/dbraw/zinc/61/99/95/832619995.db2.gz	RWQYJAYDCYCUGN-UHFFFAOYSA-N	-2	3	349.275	-0.318	20	0		EBADHL
COC(=O)CCS(=O)(=O)[N-]c1nc(N(C)C)[n-]c(=O)c1N=O	ZINC001188355160	834036203	/nfs/dbraw/zinc/03/62/03/834036203.db2.gz	CUULYQYSEOISHL-UHFFFAOYSA-N	-2	3	333.326	-0.049	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)N1CCC(c2n[n-]c(=O)o2)CC1	ZINC001328621413	840717490	/nfs/dbraw/zinc/71/74/90/840717490.db2.gz	LBUSOUFBUNPUKY-UHFFFAOYSA-N	-2	3	335.320	-0.579	20	0		EBADHL
O=C([O-])CN1CC[C@@H](N2CCN(C(=O)c3ccccc3[O-])CC2)C1=O	ZINC001595073721	951617536	/nfs/dbraw/zinc/61/75/36/951617536.db2.gz	GIYQCNPTEUBEKJ-CYBMUJFWSA-N	-2	3	347.371	-0.165	20	0		EBADHL
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc(=O)c2ccccc2[n-]1	ZINC000391610164	972350013	/nfs/dbraw/zinc/35/00/13/972350013.db2.gz	ZPYYVNXSEDTFFT-LBPRGKRZSA-N	-2	3	329.312	-0.057	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CCN(C(=O)CSCC(=O)[O-])CC2)n1	ZINC001594269357	959784396	/nfs/dbraw/zinc/78/43/96/959784396.db2.gz	OBHVAUSEWKPFKA-UHFFFAOYSA-N	-2	3	326.378	-0.043	20	0		EBADHL
CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1occc1C(=O)[O-]	ZINC001571170308	962042423	/nfs/dbraw/zinc/04/24/23/962042423.db2.gz	COUPUSHHKULYCI-UHFFFAOYSA-N	-2	3	326.352	-0.853	20	0		EBADHL
COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC001571190935	962249946	/nfs/dbraw/zinc/24/99/46/962249946.db2.gz	PECUKKNDQCVYOB-LLVKDONJSA-N	-2	3	330.362	-0.050	20	0		EBADHL
Cn1cnnc1S(=O)(=O)[N-][C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001571192059	962270996	/nfs/dbraw/zinc/27/09/96/962270996.db2.gz	ZBKONDXCXWYKNG-NBBOBHDQSA-N	-2	3	330.366	-0.494	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-]	ZINC001571216458	962507310	/nfs/dbraw/zinc/50/73/10/962507310.db2.gz	SHVXFAMUIHLWSO-SSDOTTSWSA-N	-2	3	334.281	-0.362	20	0		EBADHL
COC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000314225340	963728092	/nfs/dbraw/zinc/72/80/92/963728092.db2.gz	MWFACYGWSMDBEL-LURJTMIESA-N	-2	3	339.272	-0.525	20	0		EBADHL
COC(=O)[C@]1([N-]S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCSC1	ZINC001604276249	972845307	/nfs/dbraw/zinc/84/53/07/972845307.db2.gz	XBUQJHZRNYOYLF-KWQFWETISA-N	-2	3	338.407	-0.582	20	0		EBADHL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-][C@H]1COc2ccccc2[C@H]1O	ZINC001606388518	973839177	/nfs/dbraw/zinc/83/91/77/973839177.db2.gz	PGAGFMKHPUINST-GMXVVIOVSA-N	-2	3	342.373	-0.136	20	0		EBADHL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-]Cc1nc(C(F)F)no1	ZINC001606388549	973839394	/nfs/dbraw/zinc/83/93/94/973839394.db2.gz	PWEXYMNVWVZLGG-YFKPBYRVSA-N	-2	3	326.281	-0.109	20	0		EBADHL
CC[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001594989947	982847838	/nfs/dbraw/zinc/84/78/38/982847838.db2.gz	WOJFVQVWNKFLDK-SSDOTTSWSA-N	-2	3	332.382	-0.001	20	0		EBADHL
CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)COCC(=O)[O-]	ZINC001596754549	985115509	/nfs/dbraw/zinc/11/55/09/985115509.db2.gz	QIOLOEYCVVKPEB-QMMMGPOBSA-N	-2	3	326.309	-0.254	20	0		EBADHL
CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)COCC(=O)[O-]	ZINC001596754549	985115514	/nfs/dbraw/zinc/11/55/14/985115514.db2.gz	QIOLOEYCVVKPEB-QMMMGPOBSA-N	-2	3	326.309	-0.254	20	0		EBADHL
CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1(C)C	ZINC001596847976	985566240	/nfs/dbraw/zinc/56/62/40/985566240.db2.gz	WODGPLDLXODHCY-NOZJJQNGSA-N	-2	3	347.393	-0.048	20	0		EBADHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cnn(C)c1Br)C(=O)[O-]	ZINC001599844960	988915702	/nfs/dbraw/zinc/91/57/02/988915702.db2.gz	CHHKGNSTCQJESP-XINAWCOVSA-N	-2	3	342.171	-0.705	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])cn1	ZINC001599772627	992263219	/nfs/dbraw/zinc/26/32/19/992263219.db2.gz	FQUOBBWAISSOOM-SSDOTTSWSA-N	-2	3	326.327	-0.814	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H](O)C(=O)[O-])ccc1F	ZINC001598673422	994798432	/nfs/dbraw/zinc/79/84/32/994798432.db2.gz	MLAIMDXQYUEQIZ-VIFPVBQESA-N	-2	3	334.325	-0.701	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H](C)N1CCOCC1	ZINC001593325788	994868623	/nfs/dbraw/zinc/86/86/23/994868623.db2.gz	LPKPWBQSFJWXCN-IUCAKERBSA-N	-2	3	332.382	-0.505	20	0		EBADHL
COC(=O)[C@]1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCOC1	ZINC001598724249	995508845	/nfs/dbraw/zinc/50/88/45/995508845.db2.gz	KGJWFSPMFYNBNB-JTQLQIEISA-N	-2	3	336.347	-0.548	20	0		EBADHL
C[C@H]1CN(C(=O)CN2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CCO1	ZINC001594464971	999681546	/nfs/dbraw/zinc/68/15/46/999681546.db2.gz	HNBWWLGBFLPJJP-BYHRKAOISA-N	-2	3	340.376	-0.269	20	0		EBADHL
C[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)c1ccccc1[O-]	ZINC001410163999	1127622667	/nfs/dbraw/zinc/62/26/67/1127622667.db2.gz	SHFZETIKOCDRSV-SECBINFHSA-N	-2	3	346.343	-0.260	20	0		EBADHL
COC[C@H](NC(=O)c1nc[n-]c(=O)c1Br)c1nn[n-]n1	ZINC001412600421	1129572417	/nfs/dbraw/zinc/57/24/17/1129572417.db2.gz	DGLKJQTXOHYPAC-BYPYZUCNSA-N	-2	3	344.129	-0.425	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)N1CCc2c(=O)[n-]cnc2C1	ZINC001362346033	1131564688	/nfs/dbraw/zinc/56/46/88/1131564688.db2.gz	UIAKLXSMSBEUGU-UHFFFAOYSA-N	-2	3	327.304	-0.848	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])c(C)o1	ZINC000262978592	290787843	/nfs/dbraw/zinc/78/78/43/290787843.db2.gz	QRXWONOMLXSIHQ-PSASIEDQSA-N	-2	3	346.361	-0.190	20	0		EBADHL
Cc1c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)coc1C(=O)N(C)C	ZINC000650419111	545684702	/nfs/dbraw/zinc/68/47/02/545684702.db2.gz	LJXIVDIFSUVEAQ-ZDUSSCGKSA-N	-2	3	346.361	-0.188	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-]	ZINC000570922147	377300723	/nfs/dbraw/zinc/30/07/23/377300723.db2.gz	SCXBLHQKIDSYAH-QMMMGPOBSA-N	-2	3	333.366	-0.162	20	0		EBADHL
C[C@H]1CCCc2nc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])cn21	ZINC000580170857	377377598	/nfs/dbraw/zinc/37/75/98/377377598.db2.gz	HJMHBOZTTADAAQ-QMMMGPOBSA-N	-2	3	330.366	-0.741	20	0		EBADHL
Cc1cc(C(=O)N2CCN(C)C[C@@H]2CN)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000582065384	377507871	/nfs/dbraw/zinc/50/78/71/377507871.db2.gz	KNKNCPWKCYHPOI-VIFPVBQESA-N	-2	3	332.364	-0.541	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)nc1C	ZINC000316498061	378504426	/nfs/dbraw/zinc/50/44/26/378504426.db2.gz	WJXTUFLCUVJKIB-UHFFFAOYSA-N	-2	3	328.354	-0.520	20	0		EBADHL
CS(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1	ZINC000400132987	379184982	/nfs/dbraw/zinc/18/49/82/379184982.db2.gz	BUBJNFKMDFZHFP-ZETCQYMHSA-N	-2	3	338.363	-0.710	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)cn1	ZINC000627312964	379307069	/nfs/dbraw/zinc/30/70/69/379307069.db2.gz	PIOMGQOAMKLXTG-UHFFFAOYSA-N	-2	3	339.377	-0.161	20	0		EBADHL
C[C@@]1(c2ccc(CNC(=O)N3CC(C(=O)[O-])C3)cc2)NC(=O)[N-]C1=O	ZINC000621830124	379363137	/nfs/dbraw/zinc/36/31/37/379363137.db2.gz	ZSTNGWZTXCMNJE-INIZCTEOSA-N	-2	3	346.343	-0.033	20	0		EBADHL
CN(CC(=O)[O-])C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000621829791	379363241	/nfs/dbraw/zinc/36/32/41/379363241.db2.gz	KKYVGNFGNXXFGL-HNNXBMFYSA-N	-2	3	334.332	-0.033	20	0		EBADHL
Cc1cc(F)c(S(=O)(=O)[N-]CCOCC(N)=O)cc1C(=O)[O-]	ZINC000273797496	379660946	/nfs/dbraw/zinc/66/09/46/379660946.db2.gz	SFCWNMYTHVBTAL-UHFFFAOYSA-N	-2	3	334.325	-0.387	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])cc(F)c1F	ZINC000274878299	379720736	/nfs/dbraw/zinc/72/07/36/379720736.db2.gz	CARYEIJDGRMWJK-MRVPVSSYSA-N	-2	3	339.272	-0.525	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])oc1C	ZINC000275021517	379731506	/nfs/dbraw/zinc/73/15/06/379731506.db2.gz	DLWIUKOTJBOGJS-QMMMGPOBSA-N	-3	3	349.317	-0.029	20	0		EBADHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000275072661	379733674	/nfs/dbraw/zinc/73/36/74/379733674.db2.gz	LOJDNLQWGOWILP-VIFPVBQESA-N	-2	3	346.336	-0.176	20	0		EBADHL
CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])c1	ZINC000275117826	379737632	/nfs/dbraw/zinc/73/76/32/379737632.db2.gz	SSTXCNHZVALNAV-SECBINFHSA-N	-2	3	332.382	-0.464	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)C(=O)[O-]	ZINC000275368129	379753570	/nfs/dbraw/zinc/75/35/70/379753570.db2.gz	YIDJYMQOSAELKA-ZETCQYMHSA-N	-2	3	349.317	-0.331	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])oc1C	ZINC000278167113	379915399	/nfs/dbraw/zinc/91/53/99/379915399.db2.gz	CYRNUMBSKZXBMB-UHFFFAOYSA-N	-2	3	348.333	-0.756	20	0		EBADHL
N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-]	ZINC000547556983	380143304	/nfs/dbraw/zinc/14/33/04/380143304.db2.gz	FSRQWRONVLZIEU-QMMMGPOBSA-N	-2	3	331.737	-0.181	20	0		EBADHL
Cc1ccc(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000547582357	380147823	/nfs/dbraw/zinc/14/78/23/380147823.db2.gz	NMZMREDSEHQWBH-QMMMGPOBSA-N	-2	3	345.333	-0.100	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N(CCOC)CCC(=O)[O-]	ZINC000548233490	380191924	/nfs/dbraw/zinc/19/19/24/380191924.db2.gz	UCUOTVPGVWIKEJ-UHFFFAOYSA-N	-2	3	349.365	-0.302	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N(CCOC)CCC(=O)[O-]	ZINC000548233490	380191928	/nfs/dbraw/zinc/19/19/28/380191928.db2.gz	UCUOTVPGVWIKEJ-UHFFFAOYSA-N	-2	3	349.365	-0.302	20	0		EBADHL
CC(C)n1cnc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c1	ZINC000548569071	380216273	/nfs/dbraw/zinc/21/62/73/380216273.db2.gz	FFJSSHIIDACSDU-UHFFFAOYSA-N	-2	3	328.354	-0.381	20	0		EBADHL
CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC000555666174	380364893	/nfs/dbraw/zinc/36/48/93/380364893.db2.gz	QFRLXKLKPUJFRG-VIFPVBQESA-N	-2	3	348.402	-0.168	20	0		EBADHL
C[C@](CO)(C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)CC(=O)[O-]	ZINC000368701556	380520294	/nfs/dbraw/zinc/52/02/94/380520294.db2.gz	JJYUXSSVKZOXBZ-CYBMUJFWSA-N	-2	3	331.394	-0.029	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])nc1C	ZINC000315244753	380578904	/nfs/dbraw/zinc/57/89/04/380578904.db2.gz	MVRDMDPZOREKKE-JTQLQIEISA-N	-2	3	327.366	-0.091	20	0		EBADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](CF)C(=O)[O-]	ZINC000573203453	380663737	/nfs/dbraw/zinc/66/37/37/380663737.db2.gz	GUKBOCVKSJDIFD-ZETCQYMHSA-N	-2	3	325.339	-0.209	20	0		EBADHL
Cc1cc(C(=O)NC2(c3nnn[n-]3)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000577809585	380845267	/nfs/dbraw/zinc/84/52/67/380845267.db2.gz	RBGKMKCQHMFSNA-UHFFFAOYSA-N	-3	3	328.292	-0.323	20	0		EBADHL
Cc1cc(C(=O)NC2(c3nn[n-]n3)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000577809585	380845273	/nfs/dbraw/zinc/84/52/73/380845273.db2.gz	RBGKMKCQHMFSNA-UHFFFAOYSA-N	-3	3	328.292	-0.323	20	0		EBADHL
CC(C)[C@@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C1=O	ZINC000417444025	380896356	/nfs/dbraw/zinc/89/63/56/380896356.db2.gz	BRIRGXJMUYMSIV-WPRPVWTQSA-N	-2	3	330.366	-0.602	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)[C@H]2CCO[C@H]2C)C1=O	ZINC000417449569	380901825	/nfs/dbraw/zinc/90/18/25/380901825.db2.gz	YECQPURZGRXBOJ-FIQHERPVSA-N	-2	3	348.421	-0.207	20	0		EBADHL
CO[C@H](C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)CC(=O)[O-]	ZINC000583816117	381148641	/nfs/dbraw/zinc/14/86/41/381148641.db2.gz	LQENULZRBVMRCM-ZETCQYMHSA-N	-2	3	337.379	-0.131	20	0		EBADHL
CCCN(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000351555968	381643689	/nfs/dbraw/zinc/64/36/89/381643689.db2.gz	GCBWDFATUQGSGG-UHFFFAOYSA-N	-2	3	332.382	-0.670	20	0		EBADHL
CCOC(=O)Cn1cnc(=NC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)[n-]1	ZINC000425719930	381932479	/nfs/dbraw/zinc/93/24/79/381932479.db2.gz	XNRWTTMRBJTELT-JTQLQIEISA-N	-2	3	349.351	-0.096	20	0		EBADHL
O=C([O-])CC1([N-]S(=O)(=O)c2cnn3c2OCCC3)CCOCC1	ZINC000572480065	382035003	/nfs/dbraw/zinc/03/50/03/382035003.db2.gz	ZGKFOMZNQPVLKD-UHFFFAOYSA-N	-2	3	345.377	-0.032	20	0		EBADHL
COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-]	ZINC000036968589	292043951	/nfs/dbraw/zinc/04/39/51/292043951.db2.gz	UYGLWRXJZQLAMD-RXMQYKEDSA-N	-2	3	336.347	-0.858	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H](C(=O)[O-])C2)cn1C	ZINC000261751774	154199520	/nfs/dbraw/zinc/19/95/20/154199520.db2.gz	HIKBUPMHGVQLMD-JTQLQIEISA-N	-2	3	344.393	-0.670	20	0		EBADHL
COC[C@@](C)(NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-]	ZINC000262193195	154217076	/nfs/dbraw/zinc/21/70/76/154217076.db2.gz	QCNGQOUVYLXOFW-MRXNPFEDSA-N	-2	3	349.343	-0.314	20	0		EBADHL
CCCN(CC(=O)[O-])C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000262387408	154228378	/nfs/dbraw/zinc/22/83/78/154228378.db2.gz	QFHUJPGFWYADNR-UHFFFAOYSA-N	-2	3	346.409	-0.280	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCCCC(=O)[O-]	ZINC000262570328	154238346	/nfs/dbraw/zinc/23/83/46/154238346.db2.gz	CKAGLJQSXJJWPE-MRVPVSSYSA-N	-2	3	333.366	-0.061	20	0		EBADHL
C[C@@]1(c2cccc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)c2)NC(=O)[N-]C1=O	ZINC000262933516	154251039	/nfs/dbraw/zinc/25/10/39/154251039.db2.gz	KGENQGQWVSWARY-HOTGVXAUSA-N	-2	3	347.327	-0.285	20	0		EBADHL
CO[C@H](CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000263061158	154253414	/nfs/dbraw/zinc/25/34/14/154253414.db2.gz	HOLKVOOQVZOQFK-BMIGLBTASA-N	-2	3	335.316	-0.429	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000263268922	154256351	/nfs/dbraw/zinc/25/63/51/154256351.db2.gz	HXDNCJILNFQMBT-JGVFFNPUSA-N	-2	3	333.366	-0.110	20	0		EBADHL
C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000263292458	154257601	/nfs/dbraw/zinc/25/76/01/154257601.db2.gz	YYGTUDODMWHMCG-VHSXEESVSA-N	-2	3	344.393	-0.590	20	0		EBADHL
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000296971252	155079249	/nfs/dbraw/zinc/07/92/49/155079249.db2.gz	OSBBVZLSBJOGRV-LURJTMIESA-N	-2	3	335.725	-0.010	20	0		EBADHL
COCCCS(=O)(=O)[N-]CC(=O)N=c1nc(COC)[n-]s1	ZINC000345769322	156360101	/nfs/dbraw/zinc/36/01/01/156360101.db2.gz	JGDWWIKEAQSQFU-UHFFFAOYSA-N	-2	3	338.411	-0.999	20	0		EBADHL
Cc1cc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)nc(C)n1	ZINC000348579230	421221456	/nfs/dbraw/zinc/22/14/56/421221456.db2.gz	VXFQAHVMEZKNEH-UHFFFAOYSA-N	-2	3	328.379	0.569	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NC(C)(C)CCC(=O)[O-])cn1C	ZINC000427978150	265113947	/nfs/dbraw/zinc/11/39/47/265113947.db2.gz	XTTQEUYHVINHGY-UHFFFAOYSA-N	-2	3	346.409	-0.234	20	0		EBADHL
COCCNC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000318074631	546056149	/nfs/dbraw/zinc/05/61/49/546056149.db2.gz	WEGMMMMIVMUKOX-UHFFFAOYSA-N	-2	3	334.325	-0.435	20	0		EBADHL
COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(=O)[nH][n-]1	ZINC000736997055	582981173	/nfs/dbraw/zinc/98/11/73/582981173.db2.gz	HOHUBKNXSAQQGQ-UHFFFAOYSA-N	-2	3	343.347	-0.282	20	0		EBADHL
COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(=O)[nH][n-]1	ZINC000736997055	582981175	/nfs/dbraw/zinc/98/11/75/582981175.db2.gz	HOHUBKNXSAQQGQ-UHFFFAOYSA-N	-2	3	343.347	-0.282	20	0		EBADHL
Cc1[nH]c(C(=O)COC(=O)CN2CC(=O)[N-]C2=O)c(C)c1C(=O)[O-]	ZINC000738154302	583043529	/nfs/dbraw/zinc/04/35/29/583043529.db2.gz	IITNLQDOWYHOQE-UHFFFAOYSA-N	-2	3	337.288	-0.393	20	0		EBADHL
Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)N2CCOCC2)c(=O)[n-]1	ZINC000750730420	583138287	/nfs/dbraw/zinc/13/82/87/583138287.db2.gz	XWGFJQRDCWJHOQ-UHFFFAOYSA-N	-2	3	330.366	-0.965	20	0		EBADHL
Cn1[n-]c(COC(=O)c2sccc2[N-]S(C)(=O)=O)nc1=O	ZINC000765449936	583282860	/nfs/dbraw/zinc/28/28/60/583282860.db2.gz	UYVQLXXQNDRMJH-UHFFFAOYSA-N	-2	3	332.363	-0.102	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)[N-]OCC(F)(F)F)cn1C	ZINC000766764024	583296192	/nfs/dbraw/zinc/29/61/92/583296192.db2.gz	HKZXVYSTWNWNJP-UHFFFAOYSA-N	-2	3	330.288	-0.383	20	0		EBADHL
COC(=O)CC[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC000776521898	583405375	/nfs/dbraw/zinc/40/53/75/583405375.db2.gz	WPUTZTDCTCALEB-LURJTMIESA-N	-2	3	339.757	-0.242	20	0		EBADHL
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2ccc(Cl)nc2)nn1	ZINC000776613491	583407109	/nfs/dbraw/zinc/40/71/09/583407109.db2.gz	FLUBLKNKFLIZET-UHFFFAOYSA-N	-2	3	331.741	-0.110	20	0		EBADHL
O=C(CSc1n[n-]c(=S)s1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000778852800	583427636	/nfs/dbraw/zinc/42/76/36/583427636.db2.gz	KOGJENHZRPZCNH-RXMQYKEDSA-N	-2	3	345.431	-0.319	20	0		EBADHL
Cn1[n-]cc2c(=NC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)ccnc1-2	ZINC000806492918	583650790	/nfs/dbraw/zinc/65/07/90/583650790.db2.gz	PYIUTKCMIYAGMD-SNVBAGLBSA-N	-2	3	329.320	-0.890	20	0		EBADHL
C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000820235311	583768982	/nfs/dbraw/zinc/76/89/82/583768982.db2.gz	RRQLUWJKDWPDJY-YFKPBYRVSA-N	-2	3	346.319	-0.313	20	0		EBADHL
C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000820235311	583768983	/nfs/dbraw/zinc/76/89/83/583768983.db2.gz	RRQLUWJKDWPDJY-YFKPBYRVSA-N	-2	3	346.319	-0.313	20	0		EBADHL
CCn1ncn([N-]C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)c1=O	ZINC000820390816	583772391	/nfs/dbraw/zinc/77/23/91/583772391.db2.gz	FJAHZRQPIQJWAH-UHFFFAOYSA-N	-2	3	346.372	-0.016	20	0		EBADHL
C[C@H]1CCCN(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)C1	ZINC000820708934	583777926	/nfs/dbraw/zinc/77/79/26/583777926.db2.gz	AAXJBZHJCPCNQD-QMMMGPOBSA-N	-2	3	326.386	-0.011	20	0		EBADHL
C[C@H]1CCCN(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)C1	ZINC000820708934	583777928	/nfs/dbraw/zinc/77/79/28/583777928.db2.gz	AAXJBZHJCPCNQD-QMMMGPOBSA-N	-2	3	326.386	-0.011	20	0		EBADHL
COC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821662690	583799968	/nfs/dbraw/zinc/79/99/68/583799968.db2.gz	ODJNPVNBXXLXMC-UHFFFAOYSA-N	-2	3	333.276	-0.404	20	0		EBADHL
COC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821662690	583799970	/nfs/dbraw/zinc/79/99/70/583799970.db2.gz	ODJNPVNBXXLXMC-UHFFFAOYSA-N	-2	3	333.276	-0.404	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)n1	ZINC000822623086	583814813	/nfs/dbraw/zinc/81/48/13/583814813.db2.gz	OIWLEUIXVXWNBB-UHFFFAOYSA-N	-2	3	348.348	-0.500	20	0		EBADHL
O=C(Cc1ccc(-c2nnn[n-]2)cc1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823077969	583823743	/nfs/dbraw/zinc/82/37/43/583823743.db2.gz	CWXVURNIYHJICI-UHFFFAOYSA-N	-2	3	328.336	-0.018	20	0		EBADHL
O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823077969	583823744	/nfs/dbraw/zinc/82/37/44/583823744.db2.gz	CWXVURNIYHJICI-UHFFFAOYSA-N	-2	3	328.336	-0.018	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000824731342	583849459	/nfs/dbraw/zinc/84/94/59/583849459.db2.gz	URVMTBJUDJVLRK-BXKDBHETSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000824731342	583849462	/nfs/dbraw/zinc/84/94/62/583849462.db2.gz	URVMTBJUDJVLRK-BXKDBHETSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000824731343	583849469	/nfs/dbraw/zinc/84/94/69/583849469.db2.gz	URVMTBJUDJVLRK-CABZTGNLSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000824731343	583849471	/nfs/dbraw/zinc/84/94/71/583849471.db2.gz	URVMTBJUDJVLRK-CABZTGNLSA-N	-2	3	347.331	-0.054	20	0		EBADHL
Cc1onc(CC(=O)NC2(c3nnn[n-]3)CCCC2)c1-c1nnn[n-]1	ZINC000826346634	583893133	/nfs/dbraw/zinc/89/31/33/583893133.db2.gz	RISKMOJNSGNRMJ-UHFFFAOYSA-N	-2	3	344.339	-0.196	20	0		EBADHL
Cc1onc(CC(=O)NC2(c3nn[n-]n3)CCCC2)c1-c1nnn[n-]1	ZINC000826346634	583893136	/nfs/dbraw/zinc/89/31/36/583893136.db2.gz	RISKMOJNSGNRMJ-UHFFFAOYSA-N	-2	3	344.339	-0.196	20	0		EBADHL
Cc1onc(CC(=O)NC2(c3nnn[n-]3)CCCC2)c1-c1nn[n-]n1	ZINC000826346634	583893138	/nfs/dbraw/zinc/89/31/38/583893138.db2.gz	RISKMOJNSGNRMJ-UHFFFAOYSA-N	-2	3	344.339	-0.196	20	0		EBADHL
Cc1onc(CC(=O)NC2(c3nn[n-]n3)CCCC2)c1-c1nn[n-]n1	ZINC000826346634	583893141	/nfs/dbraw/zinc/89/31/41/583893141.db2.gz	RISKMOJNSGNRMJ-UHFFFAOYSA-N	-2	3	344.339	-0.196	20	0		EBADHL
Cn1cc(C[N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)nn1	ZINC000826361937	583894517	/nfs/dbraw/zinc/89/45/17/583894517.db2.gz	WSYHHNBPCFUIAM-UHFFFAOYSA-N	-2	3	338.328	-0.387	20	0		EBADHL
NC(=O)CO[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1	ZINC000826391288	583896829	/nfs/dbraw/zinc/89/68/29/583896829.db2.gz	DWOMJVWOZUOWFN-UHFFFAOYSA-N	-2	3	334.336	-0.051	20	0		EBADHL
CC(C)CN(CCC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000826875588	583911594	/nfs/dbraw/zinc/91/15/94/583911594.db2.gz	DTVOALOLZYCQEU-UHFFFAOYSA-N	-2	3	346.409	-0.342	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)c(C)o1	ZINC000828579399	583943034	/nfs/dbraw/zinc/94/30/34/583943034.db2.gz	LQKCEIPESROPJC-MRVPVSSYSA-N	-2	3	331.350	-0.022	20	0		EBADHL
CCCCC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000829321291	583952528	/nfs/dbraw/zinc/95/25/28/583952528.db2.gz	PVMHCXIZXCRJFF-JTQLQIEISA-N	-2	3	346.409	-0.152	20	0		EBADHL
CCc1[nH]c(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(C)c1C(=O)[O-]	ZINC000830190888	583965344	/nfs/dbraw/zinc/96/53/44/583965344.db2.gz	DIKKNGCGIPNNIL-SECBINFHSA-N	-2	3	334.332	-0.040	20	0		EBADHL
Cn1ncc2c1nc(COC(=O)[C@H]1COCCN1C(=O)[O-])[n-]c2=O	ZINC000831054804	583975469	/nfs/dbraw/zinc/97/54/69/583975469.db2.gz	KJJVVYFRKVDSKO-MRVPVSSYSA-N	-2	3	337.292	-0.509	20	0		EBADHL
CS(=O)(=O)[N-]c1ccccc1NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000832703915	584001005	/nfs/dbraw/zinc/00/10/05/584001005.db2.gz	KWKDYYRXRQCVDV-UHFFFAOYSA-N	-2	3	339.333	-0.014	20	0		EBADHL
O=C([O-])c1cn(CC(=O)NCCCNC(=O)c2cccc([O-])c2)nn1	ZINC000833120596	584005943	/nfs/dbraw/zinc/00/59/43/584005943.db2.gz	FZIIBGKIHYDCHS-UHFFFAOYSA-N	-2	3	347.331	-0.382	20	0		EBADHL
O=C([O-])CCNC(=O)CN1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000833236839	584007454	/nfs/dbraw/zinc/00/74/54/584007454.db2.gz	NBMRWVXPOKLPFM-UHFFFAOYSA-N	-2	3	335.360	-0.259	20	0		EBADHL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cn1	ZINC000833274596	584008167	/nfs/dbraw/zinc/00/81/67/584008167.db2.gz	HDPWZAFOJXVDKK-UHFFFAOYSA-N	-3	3	349.332	-0.051	20	0		EBADHL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cn1	ZINC000833274596	584008168	/nfs/dbraw/zinc/00/81/68/584008168.db2.gz	HDPWZAFOJXVDKK-UHFFFAOYSA-N	-3	3	349.332	-0.051	20	0		EBADHL
O=C([O-])c1nscc1S(=O)(=O)[N-]CCCN1CCOCC1	ZINC000833345832	584008992	/nfs/dbraw/zinc/00/89/92/584008992.db2.gz	ZKZDDQYYOOJFIM-UHFFFAOYSA-N	-2	3	335.407	-0.158	20	0		EBADHL
CC(C)C[C@H](NC(=O)C[N-]S(=O)(=O)Cc1ccon1)C(=O)[O-]	ZINC000833493263	584010946	/nfs/dbraw/zinc/01/09/46/584010946.db2.gz	VCGAJTKALAQOTH-JTQLQIEISA-N	-2	3	333.366	-0.291	20	0		EBADHL
CN1CCN(C(=O)CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1	ZINC000833697171	584014042	/nfs/dbraw/zinc/01/40/42/584014042.db2.gz	CDEYYSLOFWEESY-UHFFFAOYSA-N	-2	3	345.377	-0.580	20	0		EBADHL
COC(=O)c1cc(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc(C(=O)[O-])c1	ZINC000833712284	584015012	/nfs/dbraw/zinc/01/50/12/584015012.db2.gz	DHHWFWOMBKRTLH-GFCCVEGCSA-N	-2	3	347.327	-0.093	20	0		EBADHL
CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]OC[C@@H](C)NC(=O)[O-])C1	ZINC000833863861	584017572	/nfs/dbraw/zinc/01/75/72/584017572.db2.gz	SXKWQDGADDGALE-NXEZZACHSA-N	-2	3	337.398	-0.248	20	0		EBADHL
O=C([O-])N1CCOC[C@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000834042419	584025320	/nfs/dbraw/zinc/02/53/20/584025320.db2.gz	UMZWVRBRKITPTG-LBPRGKRZSA-N	-2	3	337.332	-0.383	20	0		EBADHL
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)CN1CC(=O)[N-]C1=O	ZINC000834160233	584027526	/nfs/dbraw/zinc/02/75/26/584027526.db2.gz	BHBOCTXNVGRJSU-HMKSTLMESA-N	-2	3	338.364	-0.131	20	0		EBADHL
O=C([O-])N[C@@H](C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccccc1	ZINC000834250551	584030103	/nfs/dbraw/zinc/03/01/03/584030103.db2.gz	IKEVQHGMIWTCMP-WDEREUQCSA-N	-2	3	332.316	-0.242	20	0		EBADHL
O=C([O-])N(CC1CC1)C1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1	ZINC000834290253	584030713	/nfs/dbraw/zinc/03/07/13/584030713.db2.gz	QRPBIRXFLGROGQ-NSHDSACASA-N	-2	3	338.364	-0.035	20	0		EBADHL
O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CC1	ZINC000834291425	584030905	/nfs/dbraw/zinc/03/09/05/584030905.db2.gz	YUWMUESCUWBDIL-NXEZZACHSA-N	-2	3	336.348	-0.471	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC	ZINC000846003694	584119634	/nfs/dbraw/zinc/11/96/34/584119634.db2.gz	KNUKMUYKGNBORC-UHFFFAOYSA-N	-2	3	334.325	-0.042	20	0		EBADHL
CCO[N-]C(=O)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1	ZINC000846493620	584126808	/nfs/dbraw/zinc/12/68/08/584126808.db2.gz	DROOVYMIPREQGP-UHFFFAOYSA-N	-2	3	333.341	-0.469	20	0		EBADHL
COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c1	ZINC000848675632	584160456	/nfs/dbraw/zinc/16/04/56/584160456.db2.gz	GMXONVICLWKJQP-QMMMGPOBSA-N	-2	3	335.309	-0.355	20	0		EBADHL
CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@H]1CCOC1	ZINC000851017953	584191202	/nfs/dbraw/zinc/19/12/02/584191202.db2.gz	ZMNDEAXNZIWUOT-QPUJVOFHSA-N	-2	3	340.361	-0.186	20	0		EBADHL
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)[N-]C(=O)c1cccs1	ZINC000740376172	603157653	/nfs/dbraw/zinc/15/76/53/603157653.db2.gz	HUFFJSPZXRNFHE-SFYZADRCSA-N	-2	3	342.329	-0.339	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)cc1C(N)=O	ZINC000028197167	649936022	/nfs/dbraw/zinc/93/60/22/649936022.db2.gz	TXHDQSUYXIJGKZ-UHFFFAOYSA-N	-2	3	340.336	-0.114	20	0		EBADHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000055617581	649958404	/nfs/dbraw/zinc/95/84/04/649958404.db2.gz	JRJPOIOPAZSCQX-QMMMGPOBSA-N	-2	3	335.407	-0.310	20	0		EBADHL
CNC(=O)[N-][N-]S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1	ZINC000057124735	649960167	/nfs/dbraw/zinc/96/01/67/649960167.db2.gz	DIQINOJSCIGMSE-UHFFFAOYSA-N	-3	3	333.322	-0.476	20	0		EBADHL
CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O	ZINC000068216311	649965339	/nfs/dbraw/zinc/96/53/39/649965339.db2.gz	KFYHMBQMNVMGAM-UHFFFAOYSA-N	-2	3	340.361	-0.137	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)c1[O-]	ZINC000941964986	653008576	/nfs/dbraw/zinc/00/85/76/653008576.db2.gz	VHNJGTQUMXCJHO-SCZZXKLOSA-N	-2	3	349.395	-0.514	20	0		EBADHL
C[C@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1Cc1nc(=O)n(C)[n-]1	ZINC000947231425	653342724	/nfs/dbraw/zinc/34/27/24/653342724.db2.gz	LYTOCGZLKIXCBW-WDEREUQCSA-N	-2	3	346.391	-0.008	20	0		EBADHL
O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)c1cnc[n-]c1=O	ZINC000941167263	653437942	/nfs/dbraw/zinc/43/79/42/653437942.db2.gz	CWTLULNRMSBCRE-SECBINFHSA-N	-2	3	329.316	-0.073	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000951183990	654411670	/nfs/dbraw/zinc/41/16/70/654411670.db2.gz	KFZRERTWBLBZNJ-VIFPVBQESA-N	-2	3	346.347	-0.046	20	0		EBADHL
O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccc1[O-]	ZINC000957887070	722258409	/nfs/dbraw/zinc/25/84/09/722258409.db2.gz	RJRJUVJDPQAHOR-JOYOIKCWSA-N	-2	3	333.348	-0.561	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2O)c1[O-]	ZINC000962303315	723222626	/nfs/dbraw/zinc/22/26/26/723222626.db2.gz	NGXXVEHFACLZTM-PWSUYJOCSA-N	-2	3	346.343	-0.255	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC000970312129	725276608	/nfs/dbraw/zinc/27/66/08/725276608.db2.gz	GWCKBLPCJCSAKM-SSDOTTSWSA-N	-2	3	333.352	-0.435	20	0		EBADHL
CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1	ZINC000971392969	725362407	/nfs/dbraw/zinc/36/24/07/725362407.db2.gz	CXRISDYICRXPJI-SNVBAGLBSA-N	-2	3	332.364	-0.445	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-]	ZINC001028485108	730299106	/nfs/dbraw/zinc/29/91/06/730299106.db2.gz	KTLQLIKLWGREFH-SECBINFHSA-N	-2	3	335.368	-0.903	20	0		EBADHL
CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033803817	731075187	/nfs/dbraw/zinc/07/51/87/731075187.db2.gz	LDEQWXBEZKNANQ-LLVKDONJSA-N	-2	3	346.391	-0.054	20	0		EBADHL
Cn1[n-]c(CN2CCCC[C@H](NC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001034182493	731108798	/nfs/dbraw/zinc/10/87/98/731108798.db2.gz	SORHYMCBDKWGLZ-NSHDSACASA-N	-2	3	346.391	-0.007	20	0		EBADHL
CN(C(=O)c1cnc(C2CC2)[n-]c1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001044014464	733247558	/nfs/dbraw/zinc/24/75/58/733247558.db2.gz	VQGHKRUAIYUNIC-UHFFFAOYSA-N	-2	3	345.363	-0.160	20	0		EBADHL
CN(C(=O)c1ccccc1[O-])[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O	ZINC001047308359	734125378	/nfs/dbraw/zinc/12/53/78/734125378.db2.gz	UXSSLJOGSITELM-JQWIXIFHSA-N	-2	3	333.348	-0.467	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001049544540	734750783	/nfs/dbraw/zinc/75/07/83/734750783.db2.gz	NZRIVTIWOWSSOA-MNOVXSKESA-N	-2	3	345.363	-0.115	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000978729468	804945469	/nfs/dbraw/zinc/94/54/69/804945469.db2.gz	FOMGRQSKDNIKQV-DTORHVGOSA-N	-2	3	346.347	-0.142	20	0		EBADHL
C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)c2ncccc2[O-])CCO1	ZINC000979273978	805253252	/nfs/dbraw/zinc/25/32/52/805253252.db2.gz	JZSQMBBUIRVOSE-GXSJLCMTSA-N	-2	3	348.363	-0.370	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C)c1[O-]	ZINC000987601652	807969080	/nfs/dbraw/zinc/96/90/80/807969080.db2.gz	HHVOWJLUVMFORI-SCZZXKLOSA-N	-2	3	346.347	-0.048	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)c1[O-]	ZINC001036986160	811324840	/nfs/dbraw/zinc/32/48/40/811324840.db2.gz	RNJZWHMNFCIONS-DTWKUNHWSA-N	-2	3	335.368	-0.064	20	0		EBADHL
COC(=O)[C@@H]1C[C@@H](Oc2[n-]c(=O)nc3c(=O)[n-]c(=O)[nH]c32)CN1C	ZINC001226884449	811887211	/nfs/dbraw/zinc/88/72/11/811887211.db2.gz	AWQWKCLLOJYILH-RITPCOANSA-N	-2	3	337.292	-0.839	20	0		EBADHL
O=C(Oc1cc2c(cc1[O-])CCC2=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228855808	812000358	/nfs/dbraw/zinc/00/03/58/812000358.db2.gz	RIXBHSVJHAXIRX-SNVBAGLBSA-N	-3	3	332.201	-0.103	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)[C@@H](O)C(=O)[O-]	ZINC001231076934	812270402	/nfs/dbraw/zinc/27/04/02/812270402.db2.gz	OSKQPJGVKJCFSV-WCBMZHEXSA-N	-3	3	336.260	-0.692	20	0		EBADHL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCOP(=O)([O-])[O-]	ZINC001258458266	812793971	/nfs/dbraw/zinc/79/39/71/812793971.db2.gz	TUVASNDMBBYXML-UHFFFAOYSA-N	-3	3	333.690	-0.230	20	0		EBADHL
COC(=O)c1sccc1S(=O)(=O)NCCP(=O)([O-])[O-]	ZINC001259013874	812801488	/nfs/dbraw/zinc/80/14/88/812801488.db2.gz	GPMDGCFUQUGNTN-UHFFFAOYSA-N	-2	3	329.292	-0.009	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)c1ccco1	ZINC001087254084	816478994	/nfs/dbraw/zinc/47/89/94/816478994.db2.gz	SDCNNVGLLMVJBG-UHFFFAOYSA-N	-2	3	345.319	-0.181	20	0		EBADHL
O=C(Cn1nn[n-]c1=S)Nc1ncc(Br)[n-]c1=O	ZINC001177742309	832800612	/nfs/dbraw/zinc/80/06/12/832800612.db2.gz	CLPCXOZUXOFUCH-UHFFFAOYSA-N	-2	3	332.143	-0.554	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1F	ZINC001194991932	835173053	/nfs/dbraw/zinc/17/30/53/835173053.db2.gz	PKRUBMSRCDWGDF-UHFFFAOYSA-N	-2	3	329.313	-0.049	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)NC2=O)c(F)cc1F	ZINC001195247767	835204050	/nfs/dbraw/zinc/20/40/50/835204050.db2.gz	WBNFIQXZPVGMTI-MRVPVSSYSA-N	-2	3	348.283	-0.254	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC001331135944	841349904	/nfs/dbraw/zinc/34/99/04/841349904.db2.gz	RKEQKUJEVUBCHO-VIFPVBQESA-N	-2	3	335.320	-0.579	20	0		EBADHL
CC(C)C1(O)CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1	ZINC001574093481	949105468	/nfs/dbraw/zinc/10/54/68/949105468.db2.gz	SFMDWKXJDHRKDK-UHFFFAOYSA-N	-2	3	330.352	-0.182	20	0		EBADHL
C[C@]1(C(N)=O)CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1	ZINC001575614558	950539067	/nfs/dbraw/zinc/53/90/67/950539067.db2.gz	IBWCVMYMXJAASN-AWEZNQCLSA-N	-2	3	343.351	-0.688	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001594503027	955341234	/nfs/dbraw/zinc/34/12/34/955341234.db2.gz	UCKVHWFBWXBCBQ-SNVBAGLBSA-N	-2	3	345.377	-0.107	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-]	ZINC001593880765	955705703	/nfs/dbraw/zinc/70/57/03/955705703.db2.gz	UBECLUGUBBJRIK-LBPRGKRZSA-N	-2	3	335.309	-0.274	20	0		EBADHL
CN1C(=O)C[C@@H]([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1=O	ZINC000388289825	972163588	/nfs/dbraw/zinc/16/35/88/972163588.db2.gz	RSEDMCSPLZCRDM-SNVBAGLBSA-N	-2	3	326.330	-0.439	20	0		EBADHL
COC[C@]1(C(=O)[O-])CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CCO1	ZINC001593973815	956645516	/nfs/dbraw/zinc/64/55/16/956645516.db2.gz	LTUBRKQURNNFOC-HNNXBMFYSA-N	-2	3	339.348	-0.330	20	0		EBADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]CCCN1CCOCC1	ZINC000134670625	958844327	/nfs/dbraw/zinc/84/43/27/958844327.db2.gz	FTTHMKKSVSVWPY-UHFFFAOYSA-N	-2	3	335.407	-0.158	20	0		EBADHL
C[C@H](O)[C@H](O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001603266261	972458598	/nfs/dbraw/zinc/45/85/98/972458598.db2.gz	SMLIRDXHBPNLLQ-MAUMQABQSA-N	-2	3	328.287	-0.676	20	0		EBADHL
COC(=O)C1([N-]S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCOCC1	ZINC001574048283	962142293	/nfs/dbraw/zinc/14/22/93/962142293.db2.gz	ZSKBZDPLYJMOGV-VIFPVBQESA-N	-2	3	336.366	-0.908	20	0		EBADHL
O=C([O-])c1nccc(N2CC[C@@H](NC(=O)c3cnc[n-]c3=O)C2)n1	ZINC001571187499	962222910	/nfs/dbraw/zinc/22/29/10/962222910.db2.gz	FBSRULZPZSXMBO-MRVPVSSYSA-N	-2	3	330.304	-0.321	20	0		EBADHL
CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001571191938	962269063	/nfs/dbraw/zinc/26/90/63/962269063.db2.gz	XJCIOJZQBUERDX-HTQZYQBOSA-N	-2	3	330.366	-0.391	20	0		EBADHL
C[C@@](O)(C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-]	ZINC001609972129	970620922	/nfs/dbraw/zinc/62/09/22/970620922.db2.gz	BVKGEHRPHINMHC-LLVKDONJSA-N	-2	3	334.281	-0.626	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3cc(C(=O)[O-])nn3C)C2)n1	ZINC001600064269	970752847	/nfs/dbraw/zinc/75/28/47/970752847.db2.gz	ITZGRVDRBADSSQ-VIFPVBQESA-N	-2	3	346.347	-0.069	20	0		EBADHL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](CCOC)C(=O)[O-]	ZINC001596696402	984830976	/nfs/dbraw/zinc/83/09/76/984830976.db2.gz	AXGITZYEYSAXBN-MRVPVSSYSA-N	-2	3	349.365	-0.337	20	0		EBADHL
C[C@@H](CCNC(=O)c1cnc[n-]c1=O)Nc1ccnc(C(=O)[O-])n1	ZINC001599835910	988741926	/nfs/dbraw/zinc/74/19/26/988741926.db2.gz	SJVZOKQSHXJZFG-QMMMGPOBSA-N	-2	3	332.320	-0.287	20	0		EBADHL
CN(CCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])Cc1nc(=O)n(C)[n-]1	ZINC001598478097	992107417	/nfs/dbraw/zinc/10/74/17/992107417.db2.gz	ZQCNSVZGAQALMU-VHSXEESVSA-N	-2	3	325.369	-0.891	20	0		EBADHL
CN(CCN(C)c1ncc(C(=O)[O-])cn1)C(=O)c1cnc[n-]c1=O	ZINC001598487516	992226343	/nfs/dbraw/zinc/22/63/43/992226343.db2.gz	TXDGVKSEBZWYJE-UHFFFAOYSA-N	-2	3	332.320	-0.121	20	0		EBADHL
CS(C)(=O)=NC(=O)C[N-]S(=O)(=O)CCCCCC(=O)[O-]	ZINC001599779910	992351251	/nfs/dbraw/zinc/35/12/51/992351251.db2.gz	MXHLMKFJCGAXMH-UHFFFAOYSA-N	-2	3	328.412	-0.195	20	0		EBADHL
CS(C)(=O)=NCC[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001599781822	992374582	/nfs/dbraw/zinc/37/45/82/992374582.db2.gz	WPXDJUXESGSDKR-UHFFFAOYSA-N	-2	3	327.409	-0.153	20	0		EBADHL
CN1C[C@H](CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1=O	ZINC001598567338	993159587	/nfs/dbraw/zinc/15/95/87/993159587.db2.gz	RLJTWGOAXFUFLJ-SSDOTTSWSA-N	-2	3	333.391	-0.012	20	0		EBADHL
CO[C@@H](CS(=O)(=O)[N-]c1n[n-]c(CC(=O)[O-])n1)[C@H]1CCOC1	ZINC001599060596	999262502	/nfs/dbraw/zinc/26/25/02/999262502.db2.gz	VHHKBAHILZAAFQ-YUMQZZPRSA-N	-3	3	334.354	-0.775	20	0		EBADHL
C[C@@H]1CN(C(=O)CN2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CCO1	ZINC001594464973	999681409	/nfs/dbraw/zinc/68/14/09/999681409.db2.gz	HNBWWLGBFLPJJP-QZCIIZHISA-N	-2	3	340.376	-0.269	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)CCc3nnn[n-]3)C2)n1	ZINC001412605120	1129573954	/nfs/dbraw/zinc/57/39/54/1129573954.db2.gz	DQTWTYUTIKKGSV-SNVBAGLBSA-N	-2	3	332.368	-0.278	20	0		EBADHL
COc1ccc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])c(F)c1	ZINC000559959923	376621374	/nfs/dbraw/zinc/62/13/74/376621374.db2.gz	ZUDDBKMRGXAXNG-UHFFFAOYSA-N	-2	3	334.325	-0.297	20	0		EBADHL
N=c1nc(N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)nc2[nH][n-]cc1-2	ZINC000583443653	376805239	/nfs/dbraw/zinc/80/52/39/376805239.db2.gz	YGBKWKACCWVDCY-ZETCQYMHSA-N	-2	3	329.324	-0.152	20	0		EBADHL
CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000565301042	377462442	/nfs/dbraw/zinc/46/24/42/377462442.db2.gz	KBQPXTSCZNQPGC-LURJTMIESA-N	-2	3	325.368	-0.791	20	0		EBADHL
CC[C@@H](C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000339350007	378906792	/nfs/dbraw/zinc/90/67/92/378906792.db2.gz	UPXZSZHIQRSTRG-PRHODGIISA-N	-2	3	346.409	-0.378	20	0		EBADHL
CC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C(=O)[O-]	ZINC000270479078	379451679	/nfs/dbraw/zinc/45/16/79/379451679.db2.gz	KDYRSJMSSZQFIG-MRVPVSSYSA-N	-2	3	342.333	-0.824	20	0		EBADHL
O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000275276399	379749381	/nfs/dbraw/zinc/74/93/81/379749381.db2.gz	NRXFCHQXZXSGII-LURJTMIESA-N	-2	3	325.140	-0.432	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)co1	ZINC000538226994	379966373	/nfs/dbraw/zinc/96/63/73/379966373.db2.gz	CJJZUZNMXTVORV-QMMMGPOBSA-N	-2	3	340.365	-0.279	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)co1	ZINC000538226994	379966375	/nfs/dbraw/zinc/96/63/75/379966375.db2.gz	CJJZUZNMXTVORV-QMMMGPOBSA-N	-2	3	340.365	-0.279	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)cn1	ZINC000280015736	379968923	/nfs/dbraw/zinc/96/89/23/379968923.db2.gz	OFAMNFCSJGCROS-DTWKUNHWSA-N	-2	3	346.386	-0.207	20	0		EBADHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-]	ZINC000547871237	380166805	/nfs/dbraw/zinc/16/68/05/380166805.db2.gz	MGXVAGPKIOLLND-XCBNKYQSSA-N	-2	3	337.375	-0.798	20	0		EBADHL
COC(=O)Cn1cc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])cn1	ZINC000548206307	380188316	/nfs/dbraw/zinc/18/83/16/380188316.db2.gz	VHQCHQXFXNLPPA-SSDOTTSWSA-N	-2	3	341.292	-0.557	20	0		EBADHL
COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000548205022	380188840	/nfs/dbraw/zinc/18/88/40/380188840.db2.gz	AEMXVUMIJFURNR-BYPYZUCNSA-N	-3	3	338.319	-0.864	20	0		EBADHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-]	ZINC000548526540	380211334	/nfs/dbraw/zinc/21/13/34/380211334.db2.gz	OGMNVBSEOGCKQG-ZCFIWIBFSA-N	-2	3	341.267	-0.293	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]C[C@H](Cc2cnn(C)c2)C(=O)[O-])c[nH]1	ZINC000548542436	380214738	/nfs/dbraw/zinc/21/47/38/380214738.db2.gz	NRYDFCRVGDWFGU-JTQLQIEISA-N	-2	3	327.366	-0.327	20	0		EBADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CF)C(=O)[O-]	ZINC000573203452	380663359	/nfs/dbraw/zinc/66/33/59/380663359.db2.gz	GUKBOCVKSJDIFD-SSDOTTSWSA-N	-2	3	325.339	-0.209	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-]	ZINC000576565075	380776450	/nfs/dbraw/zinc/77/64/50/380776450.db2.gz	LUNGPIXKHGMDFM-VIFPVBQESA-N	-2	3	335.309	-0.010	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000581011932	381047390	/nfs/dbraw/zinc/04/73/90/381047390.db2.gz	ROVAZHOTVNBFGZ-UHFFFAOYSA-N	-2	3	327.362	-0.074	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cn1	ZINC000582964382	381086688	/nfs/dbraw/zinc/08/66/88/381086688.db2.gz	OIVQZHLXSAVLLU-PSASIEDQSA-N	-2	3	327.362	-0.218	20	0		EBADHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@H](O)Cc1ccccc1	ZINC000581646750	381092546	/nfs/dbraw/zinc/09/25/46/381092546.db2.gz	WVIJTALJUSAODW-PWSUYJOCSA-N	-2	3	325.346	-0.255	20	0		EBADHL
C[C@H](O)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000350944713	381598097	/nfs/dbraw/zinc/59/80/97/381598097.db2.gz	VFIILHFPEQXBLZ-ZETCQYMHSA-N	-2	3	326.371	-0.144	20	0		EBADHL
C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-]	ZINC000261659933	154196005	/nfs/dbraw/zinc/19/60/05/154196005.db2.gz	IUPFLBJLGODNEX-ZCFIWIBFSA-N	-2	3	340.354	-0.051	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@@H]2C(=O)[O-])cn1C	ZINC000262182882	154216882	/nfs/dbraw/zinc/21/68/82/154216882.db2.gz	XANIDSNWDMAYQS-SNVBAGLBSA-N	-2	3	344.393	-0.527	20	0		EBADHL
COCC[C@@H](NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000262322852	154225052	/nfs/dbraw/zinc/22/50/52/154225052.db2.gz	SGMGILQRAMOVDS-BDJLRTHQSA-N	-2	3	349.343	-0.039	20	0		EBADHL
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)[O-])cc1F	ZINC000262360104	154226173	/nfs/dbraw/zinc/22/61/73/154226173.db2.gz	CLJAUMWMYAZIOJ-UHFFFAOYSA-N	-2	3	340.354	-0.050	20	0		EBADHL
C[C@](O)(CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000262558229	154237698	/nfs/dbraw/zinc/23/76/98/154237698.db2.gz	VNUURAMDJJMQHK-ZDUSSCGKSA-N	-2	3	348.352	-0.554	20	0		EBADHL
C[C@@]1(c2cccc(C(=O)N3CCOC[C@H]3C(=O)[O-])c2)NC(=O)[N-]C1=O	ZINC000262748524	154245328	/nfs/dbraw/zinc/24/53/28/154245328.db2.gz	IEYKWQJNCWHFCM-ZBEGNZNMSA-N	-2	3	347.327	-0.333	20	0		EBADHL
C[C@@]1(c2cccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c2)NC(=O)[N-]C1=O	ZINC000262748520	154245685	/nfs/dbraw/zinc/24/56/85/154245685.db2.gz	IEYKWQJNCWHFCM-BZNIZROVSA-N	-2	3	347.327	-0.333	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000262895396	154250173	/nfs/dbraw/zinc/25/01/73/154250173.db2.gz	AQXKUWBDHDAQPK-BDAKNGLRSA-N	-2	3	348.402	-0.273	20	0		EBADHL
CO[C@@H](CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000263061161	154253200	/nfs/dbraw/zinc/25/32/00/154253200.db2.gz	HOLKVOOQVZOQFK-ZUZCIYMTSA-N	-2	3	335.316	-0.429	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)s1	ZINC000290230654	155000556	/nfs/dbraw/zinc/00/05/56/155000556.db2.gz	XVPIOFHNFVGXAB-UHFFFAOYSA-N	-2	3	333.347	-0.268	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]OC[C@H]1CCOC1	ZINC000290304907	155002753	/nfs/dbraw/zinc/00/27/53/155002753.db2.gz	ADNXXNAMQQKGOC-JTQLQIEISA-N	-2	3	333.366	-0.346	20	0		EBADHL
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cnc(C)[n-]c1=O	ZINC000343978524	156194629	/nfs/dbraw/zinc/19/46/29/156194629.db2.gz	LAEMZFAYOMKLQT-UHFFFAOYSA-N	-2	3	341.349	-0.131	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2ccncc2[O-])cn1C	ZINC000358364842	157238228	/nfs/dbraw/zinc/23/82/28/157238228.db2.gz	ZQDZJIHSUMXTNM-UHFFFAOYSA-N	-2	3	339.377	-0.442	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@@H]2C(=O)[O-])cn1C	ZINC000360816558	157399478	/nfs/dbraw/zinc/39/94/78/157399478.db2.gz	HRIATRRFSWDCHR-SNVBAGLBSA-N	-2	3	344.393	-0.527	20	0		EBADHL
Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000530817492	418972986	/nfs/dbraw/zinc/97/29/86/418972986.db2.gz	BVJHAISFDHDSST-QMMMGPOBSA-N	-3	3	344.331	-0.014	20	0		EBADHL
Cc1[nH][nH]c(=O)c1CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000530817492	418972991	/nfs/dbraw/zinc/97/29/91/418972991.db2.gz	BVJHAISFDHDSST-QMMMGPOBSA-N	-2	3	344.331	-0.014	20	0		EBADHL
CC(C)(C)n1nnc(C[N-]S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])n1	ZINC000656181464	420883057	/nfs/dbraw/zinc/88/30/57/420883057.db2.gz	YDOWZJKGKOLROB-MRVPVSSYSA-N	-2	3	332.386	-0.689	20	0		EBADHL
CC(C)C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000424246525	265054240	/nfs/dbraw/zinc/05/42/40/265054240.db2.gz	LPCJIGLHLKYOSC-JTQLQIEISA-N	-2	3	346.409	-0.439	20	0		EBADHL
COc1cccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1[O-]	ZINC000424253607	265054998	/nfs/dbraw/zinc/05/49/98/265054998.db2.gz	XSOUPDDGGJYUMQ-SNVBAGLBSA-N	-2	3	329.330	-0.275	20	0		EBADHL
CC(C)C[C@H](CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000424246528	265055009	/nfs/dbraw/zinc/05/50/09/265055009.db2.gz	LPCJIGLHLKYOSC-SNVBAGLBSA-N	-2	3	346.409	-0.439	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)CCCC(=O)[O-])cn1C	ZINC000427716809	265110065	/nfs/dbraw/zinc/11/00/65/265110065.db2.gz	BOFFJJQHWNPFFR-UHFFFAOYSA-N	-2	3	332.382	-0.670	20	0		EBADHL
C[C@@](CO)(C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)CC(=O)[O-]	ZINC000368701557	297838231	/nfs/dbraw/zinc/83/82/31/297838231.db2.gz	JJYUXSSVKZOXBZ-ZDUSSCGKSA-N	-2	3	331.394	-0.029	20	0		EBADHL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000736969297	582978479	/nfs/dbraw/zinc/97/84/79/582978479.db2.gz	KZIJEQUZFNQVCP-SECBINFHSA-N	-2	3	339.377	-0.110	20	0		EBADHL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000736969297	582978482	/nfs/dbraw/zinc/97/84/82/582978482.db2.gz	KZIJEQUZFNQVCP-SECBINFHSA-N	-2	3	339.377	-0.110	20	0		EBADHL
Cn1[n-]c(COC(=O)C[N-]S(=O)(=O)c2cccs2)nc1=O	ZINC000765434171	583282460	/nfs/dbraw/zinc/28/24/60/583282460.db2.gz	DQWIHFRJCGTBEC-UHFFFAOYSA-N	-2	3	332.363	-0.808	20	0		EBADHL
O=C([N-]C1(CO)CC1)C(F)(F)C(F)(F)C(=O)[N-]C1(CO)CC1	ZINC000767868527	583310777	/nfs/dbraw/zinc/31/07/77/583310777.db2.gz	DDOMSQRKBKBUTB-UHFFFAOYSA-N	-2	3	328.262	-0.461	20	0		EBADHL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000776438270	583404145	/nfs/dbraw/zinc/40/41/45/583404145.db2.gz	STVZKEHOSHKWBI-ZCFIWIBFSA-N	-3	3	339.757	-0.022	20	0		EBADHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc2nonc21)[C@@H]1CCOC1	ZINC000776502581	583405407	/nfs/dbraw/zinc/40/54/07/583405407.db2.gz	HECHPMPSYSVJLT-XCBNKYQSSA-N	-2	3	327.318	-0.009	20	0		EBADHL
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-]	ZINC000776540731	583405759	/nfs/dbraw/zinc/40/57/59/583405759.db2.gz	VGNFRMSTLQMCFC-YFKPBYRVSA-N	-2	3	338.725	-0.755	20	0		EBADHL
CCn1ncn([N-]C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)c1=O	ZINC000816736828	583721019	/nfs/dbraw/zinc/72/10/19/583721019.db2.gz	NJDIBTRXSSGOQQ-UHFFFAOYSA-N	-2	3	329.338	-0.742	20	0		EBADHL
COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000818523909	583745115	/nfs/dbraw/zinc/74/51/15/583745115.db2.gz	QCRHBIPIKSCOJX-QMMMGPOBSA-N	-2	3	342.329	-0.215	20	0		EBADHL
CNC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821633984	583798161	/nfs/dbraw/zinc/79/81/61/583798161.db2.gz	NCXIIAFAXAGQBX-UHFFFAOYSA-N	-2	3	332.292	-0.831	20	0		EBADHL
CNC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821633984	583798162	/nfs/dbraw/zinc/79/81/62/583798162.db2.gz	NCXIIAFAXAGQBX-UHFFFAOYSA-N	-2	3	332.292	-0.831	20	0		EBADHL
O=C([O-])[C@H]1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2)CCO1	ZINC000823387337	583828807	/nfs/dbraw/zinc/82/88/07/583828807.db2.gz	ITFGAJBOJMJQPU-LLVKDONJSA-N	-2	3	333.304	-0.443	20	0		EBADHL
O=C([O-])[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1	ZINC000823387337	583828808	/nfs/dbraw/zinc/82/88/08/583828808.db2.gz	ITFGAJBOJMJQPU-LLVKDONJSA-N	-2	3	333.304	-0.443	20	0		EBADHL
CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)COC1	ZINC000824783477	583850269	/nfs/dbraw/zinc/85/02/69/583850269.db2.gz	HHGLWHUUCWOODU-UHFFFAOYSA-N	-2	3	337.361	-0.151	20	0		EBADHL
CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)COC1	ZINC000824783477	583850272	/nfs/dbraw/zinc/85/02/72/583850272.db2.gz	HHGLWHUUCWOODU-UHFFFAOYSA-N	-2	3	337.361	-0.151	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1	ZINC000825805084	583867257	/nfs/dbraw/zinc/86/72/57/583867257.db2.gz	QWGHWRNMDBGOTB-UHFFFAOYSA-N	-2	3	336.337	-0.470	20	0		EBADHL
CCn1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1	ZINC000825805084	583867258	/nfs/dbraw/zinc/86/72/58/583867258.db2.gz	QWGHWRNMDBGOTB-UHFFFAOYSA-N	-2	3	336.337	-0.470	20	0		EBADHL
COCCn1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cn1	ZINC000826163941	583886277	/nfs/dbraw/zinc/88/62/77/583886277.db2.gz	RJZRJEJLITXDGQ-UHFFFAOYSA-N	-2	3	339.341	-0.767	20	0		EBADHL
O=C(CCc1[nH]c(O)nc1O)Nc1cc(-c2nnn[n-]2)ccc1[O-]	ZINC000826405915	583899003	/nfs/dbraw/zinc/89/90/03/583899003.db2.gz	ZIQQRVNPJBLZKE-SSDOTTSWSA-N	-2	3	331.292	-0.501	20	0		EBADHL
O=C([O-])[C@@]1(NC(=O)COc2ccc(-c3nnn[n-]3)cc2)CCOC1	ZINC000826417338	583900322	/nfs/dbraw/zinc/90/03/22/583900322.db2.gz	NIEVJDIYWUAITG-CQSZACIVSA-N	-2	3	333.304	-0.395	20	0		EBADHL
O=C([O-])[C@@]1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCOC1	ZINC000826417338	583900325	/nfs/dbraw/zinc/90/03/25/583900325.db2.gz	NIEVJDIYWUAITG-CQSZACIVSA-N	-2	3	333.304	-0.395	20	0		EBADHL
O=C1[N-]C(=O)N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@H]12	ZINC000826481648	583904435	/nfs/dbraw/zinc/90/44/35/583904435.db2.gz	DNOWOGJZDSPRSF-SSDOTTSWSA-N	-2	3	334.727	-0.345	20	0		EBADHL
O=C1OCC[C@@H]1[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F	ZINC000826483627	583904712	/nfs/dbraw/zinc/90/47/12/583904712.db2.gz	UISZNEDAACVRLX-JTQLQIEISA-N	-2	3	341.324	-0.259	20	0		EBADHL
O=C1OCC[C@@H]1[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F	ZINC000826483627	583904713	/nfs/dbraw/zinc/90/47/13/583904713.db2.gz	UISZNEDAACVRLX-JTQLQIEISA-N	-2	3	341.324	-0.259	20	0		EBADHL
C[C@@H](CS(=O)(=O)[N-][C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-]	ZINC000827550631	583923425	/nfs/dbraw/zinc/92/34/25/583923425.db2.gz	BQHBIYLXUOWYDI-WCBMZHEXSA-N	-2	3	330.366	-0.835	20	0		EBADHL
C[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-]	ZINC000827571670	583924036	/nfs/dbraw/zinc/92/40/36/583924036.db2.gz	OUIFXTRQNBWCBZ-MRVPVSSYSA-N	-3	3	344.345	-0.037	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)OC[C@H]2CCCN2C(=O)[O-])c1	ZINC000831041117	583975299	/nfs/dbraw/zinc/97/52/99/583975299.db2.gz	KUQCABWXPAMTTI-SECBINFHSA-N	-2	3	346.365	-0.616	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@](C)(C(=O)[O-])C2CC2)c1	ZINC000833057853	584003719	/nfs/dbraw/zinc/00/37/19/584003719.db2.gz	LJSYYVAKFNJZAL-LBPRGKRZSA-N	-2	3	330.366	-0.932	20	0		EBADHL
COC(=O)[C@]1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCOC1	ZINC000833701961	584014139	/nfs/dbraw/zinc/01/41/39/584014139.db2.gz	KUHKJWBCFQRRJT-JTQLQIEISA-N	-2	3	336.347	-0.548	20	0		EBADHL
O=C([O-])N1CC(CNC(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000834005067	584023582	/nfs/dbraw/zinc/02/35/82/584023582.db2.gz	CRSRDQCMYDPSEV-UHFFFAOYSA-N	-2	3	333.391	-0.248	20	0		EBADHL
O=C([O-])Nc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)c([O-])c1	ZINC000834255792	584030166	/nfs/dbraw/zinc/03/01/66/584030166.db2.gz	KQLQLWNECADNMB-NSHDSACASA-N	-2	3	339.348	-0.095	20	0		EBADHL
C[C@]1(c2ccc(CNC(=O)COCC(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000844249240	584092149	/nfs/dbraw/zinc/09/21/49/584092149.db2.gz	JJCMAFOYRXISRC-OAHLLOKOSA-N	-2	3	335.316	-0.541	20	0		EBADHL
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000844787792	584097120	/nfs/dbraw/zinc/09/71/20/584097120.db2.gz	ZVBVEJZYVQHFCI-USWWRNFRSA-N	-2	3	344.389	-0.431	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1	ZINC000846003030	584119442	/nfs/dbraw/zinc/11/94/42/584119442.db2.gz	QDOXEBZQKWSCLI-UHFFFAOYSA-N	-2	3	334.325	-0.042	20	0		EBADHL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCn1cncn1	ZINC000852734421	584214807	/nfs/dbraw/zinc/21/48/07/584214807.db2.gz	AYEFEQCILSNLOE-DTWKUNHWSA-N	-2	3	335.286	-0.126	20	0		EBADHL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCn1cncn1	ZINC000852734420	584214971	/nfs/dbraw/zinc/21/49/71/584214971.db2.gz	AYEFEQCILSNLOE-BDAKNGLRSA-N	-2	3	335.286	-0.126	20	0		EBADHL
NC(=O)C1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCOCC1	ZINC000739152380	599769805	/nfs/dbraw/zinc/76/98/05/599769805.db2.gz	HDXWQZVFRGDNJI-UHFFFAOYSA-N	-2	3	332.334	-0.462	20	0		EBADHL
CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1	ZINC000055617339	649958437	/nfs/dbraw/zinc/95/84/37/649958437.db2.gz	WMYCCFCUDUZOJY-QMMMGPOBSA-N	-2	3	335.407	-0.310	20	0		EBADHL
CNC(=O)[N-][N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000057124769	649960113	/nfs/dbraw/zinc/96/01/13/649960113.db2.gz	DFCHAIPJSMTONO-UHFFFAOYSA-N	-3	3	340.358	-0.681	20	0		EBADHL
CCN(C(=O)c1c(C)nc[n-]c1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC000951218214	654420642	/nfs/dbraw/zinc/42/06/42/654420642.db2.gz	OIPKVLDWXNXQOJ-UHFFFAOYSA-N	-2	3	333.352	-0.339	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000956831540	722114797	/nfs/dbraw/zinc/11/47/97/722114797.db2.gz	LHWKOCANYOPGKB-HNNXBMFYSA-N	-2	3	346.347	-0.046	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CCC[C@H]2CN(C)Cc2nc(=O)n(C)[n-]2)c1[O-]	ZINC000960554857	722838661	/nfs/dbraw/zinc/83/86/61/722838661.db2.gz	JEEFNZUIHHSLQE-JTQLQIEISA-N	-2	3	349.395	-0.418	20	0		EBADHL
O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc(=O)[n-]c(C2CC2)n1	ZINC001014856025	728019920	/nfs/dbraw/zinc/01/99/20/728019920.db2.gz	LIFNBSJSOWQUAJ-SECBINFHSA-N	-2	3	345.363	-0.112	20	0		EBADHL
O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1)c1cnc[n-]c1=O	ZINC001021292571	729304415	/nfs/dbraw/zinc/30/44/15/729304415.db2.gz	ZCCPDARZRBZFNS-PBINXNQUSA-N	-2	3	345.363	-0.069	20	0		EBADHL
Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)c2ncccc2[O-])nc1=O	ZINC001027844699	730242216	/nfs/dbraw/zinc/24/22/16/730242216.db2.gz	WAGFFFYCBWBALY-SNVBAGLBSA-N	-2	3	332.364	-0.397	20	0		EBADHL
Cc1nc(C)c(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)c(=O)[n-]1	ZINC001031380261	730712291	/nfs/dbraw/zinc/71/22/91/730712291.db2.gz	FTBCZWBMWLOOAO-UHFFFAOYSA-N	-2	3	333.352	-0.834	20	0		EBADHL
Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-]	ZINC001033010826	730956458	/nfs/dbraw/zinc/95/64/58/730956458.db2.gz	VWORLYDBZHGUGV-VIFPVBQESA-N	-2	3	335.368	-0.808	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CC[C@@]2(CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001041391544	732111847	/nfs/dbraw/zinc/11/18/47/732111847.db2.gz	FXZQORHMKFITSI-OAHLLOKOSA-N	-2	3	345.363	-0.256	20	0		EBADHL
C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1ncccc1[O-]	ZINC001079611119	811608447	/nfs/dbraw/zinc/60/84/47/811608447.db2.gz	OODDPTYFKSPKAW-NXEZZACHSA-N	-2	3	332.364	-0.541	20	0		EBADHL
CCCc1cnc(=O)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228872709	812000830	/nfs/dbraw/zinc/00/08/30/812000830.db2.gz	BTXYAWWPFXQDIN-IONNQARKSA-N	-3	3	328.277	-0.424	20	0		EBADHL
CS(=O)(=O)CS(=O)(=O)[N-]c1nc[n-]c(=O)c1Br	ZINC001260584606	812837029	/nfs/dbraw/zinc/83/70/29/812837029.db2.gz	OKVZYTOMIAZUOU-UHFFFAOYSA-N	-2	3	346.184	-0.312	20	0		EBADHL
COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@@H]1CO[N-]C1=O	ZINC001261061331	812850853	/nfs/dbraw/zinc/85/08/53/812850853.db2.gz	AOMBBUGQXAZQAM-SCSAIBSYSA-N	-2	3	340.766	-0.104	20	0		EBADHL
O=C([N-]OC[C@H]1CCOC1)C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC001324032849	839583361	/nfs/dbraw/zinc/58/33/61/839583361.db2.gz	CHNKBBGLTBOSGW-LURJTMIESA-N	-2	3	337.258	-0.476	20	0		EBADHL
O=c1[n-]c(CNc2ccnc(-c3nnn[n-]3)n2)nc2c1COCC2	ZINC001570928478	948733827	/nfs/dbraw/zinc/73/38/27/948733827.db2.gz	YOVWHXSFABXKBG-UHFFFAOYSA-N	-2	3	327.308	-0.741	20	0		EBADHL
NC(=O)C1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CCOCC1	ZINC001571200379	962357465	/nfs/dbraw/zinc/35/74/65/962357465.db2.gz	ISJIEHUXQWTVGX-UHFFFAOYSA-N	-2	3	332.334	-0.462	20	0		EBADHL
COCC[C@@]1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCOC1	ZINC001571211239	962454582	/nfs/dbraw/zinc/45/45/82/962454582.db2.gz	XRYXGMUBSCKHLU-GFCCVEGCSA-N	-2	3	333.366	-0.110	20	0		EBADHL
C[C@@](CO)([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C(=O)[O-]	ZINC001571216372	962506283	/nfs/dbraw/zinc/50/62/83/962506283.db2.gz	OXNLBAMDLXFGJQ-NSHDSACASA-N	-2	3	334.281	-0.626	20	0		EBADHL
O=C([O-])CN1CCC[C@@H](C(=O)N2CCCc3c(=O)[n-]cnc32)C1=O	ZINC001574719718	962754202	/nfs/dbraw/zinc/75/42/02/962754202.db2.gz	MQYFJNHVMOUDGM-SNVBAGLBSA-N	-2	3	334.332	-0.215	20	0		EBADHL
COc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c([O-])c1	ZINC001604762843	973979986	/nfs/dbraw/zinc/97/99/86/973979986.db2.gz	YPKHODFFHICZCB-SNVBAGLBSA-N	-2	3	329.330	-0.275	20	0		EBADHL
CC[C@](COC)([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-]	ZINC001595199794	979944150	/nfs/dbraw/zinc/94/41/50/979944150.db2.gz	NHOPHEKNTBLEAA-HOGDKLEQSA-N	-2	3	331.416	-0.725	20	0		EBADHL
CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001596515305	984291293	/nfs/dbraw/zinc/29/12/93/984291293.db2.gz	DZSFTIBLPFPOCY-SNVBAGLBSA-N	-2	3	338.363	-0.566	20	0		EBADHL
CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001596859377	985614216	/nfs/dbraw/zinc/61/42/16/985614216.db2.gz	BGXNZPFYRRWBQS-IUCAKERBSA-N	-2	3	333.366	-0.111	20	0		EBADHL
CC(C)([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)[C@@H](O)C(=O)[O-]	ZINC001590879142	990790979	/nfs/dbraw/zinc/79/09/79/990790979.db2.gz	MDBPVPDDNKZHML-VIFPVBQESA-N	-2	3	348.308	-0.237	20	0		EBADHL
CN1CCN(C(=O)C[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1	ZINC001598607448	993692857	/nfs/dbraw/zinc/69/28/57/993692857.db2.gz	OUXFROQUGDQJPF-UHFFFAOYSA-N	-2	3	331.350	-0.970	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](CC(=O)OC)C(=O)[O-])c(C)o1	ZINC001598674448	994816922	/nfs/dbraw/zinc/81/69/22/994816922.db2.gz	OYCOEPSCRZGAFN-MRVPVSSYSA-N	-2	3	349.317	-0.331	20	0		EBADHL
COC(=O)[C@@]1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCOC1	ZINC001598724252	995509165	/nfs/dbraw/zinc/50/91/65/995509165.db2.gz	KGJWFSPMFYNBNB-SNVBAGLBSA-N	-2	3	336.347	-0.548	20	0		EBADHL
COC(=O)[C@@H]1CN(Cc2nc3c(c(=O)[n-]2)COCC3)C[C@H]1C(=O)[O-]	ZINC001598826176	996385046	/nfs/dbraw/zinc/38/50/46/996385046.db2.gz	MSGLYXHEKHXAGN-RKDXNWHRSA-N	-2	3	337.332	-0.440	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC	ZINC001598841047	996525695	/nfs/dbraw/zinc/52/56/95/996525695.db2.gz	WQDOMMABUSCWNB-ZETCQYMHSA-N	-2	3	335.290	-0.639	20	0		EBADHL
COC(=O)C[C@@]1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCOC1	ZINC001598843716	996546565	/nfs/dbraw/zinc/54/65/65/996546565.db2.gz	KSHCFYHYSKKVNN-LBPRGKRZSA-N	-2	3	347.349	-0.583	20	0		EBADHL
CC1(C)CN(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1	ZINC001593939758	996935396	/nfs/dbraw/zinc/93/53/96/996935396.db2.gz	SPNVNMICEYPELQ-UHFFFAOYSA-N	-2	3	332.382	-0.503	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])[n-]n1	ZINC001598953375	998195340	/nfs/dbraw/zinc/19/53/40/998195340.db2.gz	BBHAGPVIIAKYID-YFKPBYRVSA-N	-2	3	345.255	-0.120	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)co1	ZINC001412483388	1129538929	/nfs/dbraw/zinc/53/89/29/1129538929.db2.gz	AIHCVHLUVNAYPE-SSDOTTSWSA-N	-2	3	326.338	-0.670	20	0		EBADHL
Cc1nc(C)c(CC(=O)NCCNC(=O)c2ncccc2[O-])c(=O)[n-]1	ZINC001491245019	1130370807	/nfs/dbraw/zinc/37/08/07/1130370807.db2.gz	HSCZUXNHSWKRDU-UHFFFAOYSA-N	-2	3	345.359	-0.012	20	0		EBADHL
Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1	ZINC001363005055	1131742095	/nfs/dbraw/zinc/74/20/95/1131742095.db2.gz	HBTUFAKCBWOBNN-UHFFFAOYSA-N	-2	3	343.347	-0.073	20	0		EBADHL
CC(C)CN(Cc1nn[n-]n1)C(=O)CNC(=O)c1ncccc1[O-]	ZINC001364650395	1132384015	/nfs/dbraw/zinc/38/40/15/1132384015.db2.gz	GUZQIRDXBBJWHJ-UHFFFAOYSA-N	-2	3	333.352	-0.285	20	0		EBADHL
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2nnn[n-]2)o1	ZINC000600498628	376423460	/nfs/dbraw/zinc/42/34/60/376423460.db2.gz	WPGADIPLIOETLT-UHFFFAOYSA-N	-2	3	328.354	-0.201	20	0		EBADHL
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2nn[n-]n2)o1	ZINC000600498628	376423467	/nfs/dbraw/zinc/42/34/67/376423467.db2.gz	WPGADIPLIOETLT-UHFFFAOYSA-N	-2	3	328.354	-0.201	20	0		EBADHL
CN(CCCN(C)C(=O)c1cc(=O)[n-]cn1)C(=O)c1cc(=O)[n-]cn1	ZINC000626056238	376677383	/nfs/dbraw/zinc/67/73/83/376677383.db2.gz	VHRHHZPACRFWSK-UHFFFAOYSA-N	-2	3	346.347	-0.088	20	0		EBADHL
Cc1nn2cc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])cnc2c1Cl	ZINC000580097060	377354698	/nfs/dbraw/zinc/35/46/98/377354698.db2.gz	ZDFVEVRGJVZTII-SSDOTTSWSA-N	-2	3	334.741	-0.585	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])cc1F	ZINC000594682995	377948164	/nfs/dbraw/zinc/94/81/64/377948164.db2.gz	JHRDYFQYOPDXKF-GFCCVEGCSA-N	-2	3	335.309	-0.274	20	0		EBADHL
CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC000319035968	378522716	/nfs/dbraw/zinc/52/27/16/378522716.db2.gz	HELPNEPOJMTKLX-VIFPVBQESA-N	-2	3	333.366	-0.022	20	0		EBADHL
C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])cn21	ZINC000571505706	379195504	/nfs/dbraw/zinc/19/55/04/379195504.db2.gz	WLGHGBKOTIMFRV-JGVFFNPUSA-N	-3	3	331.350	-0.013	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])oc1C	ZINC000274868355	379718772	/nfs/dbraw/zinc/71/87/72/379718772.db2.gz	ABIBENPTDFHGNU-SSDOTTSWSA-N	-3	3	335.290	-0.419	20	0		EBADHL
COc1ccsc1S(=O)(=O)[N-]CCN1C[C@@H](C(=O)[O-])CC1=O	ZINC000275024971	379731119	/nfs/dbraw/zinc/73/11/19/379731119.db2.gz	SKKNFMVEQPIGDW-QMMMGPOBSA-N	-2	3	348.402	-0.032	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])cc1F	ZINC000277887646	379906839	/nfs/dbraw/zinc/90/68/39/379906839.db2.gz	CAABQFPOZYIQGZ-SECBINFHSA-N	-2	3	348.308	-0.781	20	0		EBADHL
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cccc(C(N)=O)n2)s1	ZINC000542873160	380058341	/nfs/dbraw/zinc/05/83/41/380058341.db2.gz	QMMVHABCPYMYFH-UHFFFAOYSA-N	-2	3	342.362	-0.344	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c1	ZINC000547871247	380167358	/nfs/dbraw/zinc/16/73/58/380167358.db2.gz	NADRTDHAGYSXTQ-LDWIPMOCSA-N	-2	3	335.309	-0.275	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-][C@@H](CN2CCCCC2)C(=O)[O-])cn1C	ZINC000547884919	380168607	/nfs/dbraw/zinc/16/86/07/380168607.db2.gz	ANIOCKQHWCIEBT-NSHDSACASA-N	-2	3	330.410	-0.054	20	0		EBADHL
CCn1cnc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)c1	ZINC000547895254	380169906	/nfs/dbraw/zinc/16/99/06/380169906.db2.gz	QVZAQYOESBPYDW-VIFPVBQESA-N	-2	3	330.366	-0.886	20	0		EBADHL
Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2cn(C)cn2)C(=O)[O-])n1	ZINC000548207846	380189996	/nfs/dbraw/zinc/18/99/96/380189996.db2.gz	UFXHETRMUGTNKA-SNVBAGLBSA-N	-2	3	327.366	-0.335	20	0		EBADHL
Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2cn(C)cn2)C(=O)[O-])n1	ZINC000548207844	380190160	/nfs/dbraw/zinc/19/01/60/380190160.db2.gz	UFXHETRMUGTNKA-JTQLQIEISA-N	-2	3	327.366	-0.335	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCOCC(=O)[O-]	ZINC000548263155	380195450	/nfs/dbraw/zinc/19/54/50/380195450.db2.gz	HLBGASNLJSOZTJ-UHFFFAOYSA-N	-2	3	335.309	-0.008	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1ccc(CC(=O)OC)s1)C(=O)[O-]	ZINC000548542215	380214944	/nfs/dbraw/zinc/21/49/44/380214944.db2.gz	LJCCDIOQBBPXRE-QMMMGPOBSA-N	-2	3	337.375	-0.159	20	0		EBADHL
O=c1nc(CN2CCN(Cc3nc(=O)[n-][nH]3)c3ccccc32)[nH][n-]1	ZINC000287408283	380349904	/nfs/dbraw/zinc/34/99/04/380349904.db2.gz	OITVMZZREJZPQZ-UHFFFAOYSA-N	-2	3	328.336	-0.464	20	0		EBADHL
COCC[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-]	ZINC000568002732	380564532	/nfs/dbraw/zinc/56/45/32/380564532.db2.gz	LITSNVXVRPQYAQ-ZETCQYMHSA-N	-2	3	337.379	-0.131	20	0		EBADHL
O=C([O-])C[C@]1([N-]S(=O)(=O)c2cnn3c2OCCC3)CCOC1	ZINC000568507378	380604751	/nfs/dbraw/zinc/60/47/51/380604751.db2.gz	URQWPZQRKOPBQZ-GFCCVEGCSA-N	-2	3	331.350	-0.422	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000372263635	380699878	/nfs/dbraw/zinc/69/98/78/380699878.db2.gz	YXYRCBCICHVSID-QMMMGPOBSA-N	-2	3	331.350	-0.486	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@](C)(C(=O)[O-])C2)c1	ZINC000577396584	380823601	/nfs/dbraw/zinc/82/36/01/380823601.db2.gz	ZPGWNXZVVGTREV-LBPRGKRZSA-N	-2	3	330.366	-0.978	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)c2cn(C)cn2)C1=O	ZINC000417444713	380891813	/nfs/dbraw/zinc/89/18/13/380891813.db2.gz	DLGOMYVWIBUZPM-GXSJLCMTSA-N	-2	3	344.393	-0.592	20	0		EBADHL
CCOc1ccncc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000582849115	381081648	/nfs/dbraw/zinc/08/16/48/381081648.db2.gz	SBUAVLPPEHOHDJ-MRVPVSSYSA-N	-3	3	332.334	-0.066	20	0		EBADHL
N#Cc1ccc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)s1	ZINC000230326442	381237850	/nfs/dbraw/zinc/23/78/50/381237850.db2.gz	OSWCNRXOEJPBLJ-UHFFFAOYSA-N	-2	3	327.347	-0.226	20	0		EBADHL
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-]	ZINC000571895119	381625589	/nfs/dbraw/zinc/62/55/89/381625589.db2.gz	PEYJDYSINFPUGF-MRVPVSSYSA-N	-2	3	337.737	-0.150	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])cc1F	ZINC000571983616	381632746	/nfs/dbraw/zinc/63/27/46/381632746.db2.gz	SFRSBHHKDDNSNF-JTQLQIEISA-N	-2	3	335.309	-0.010	20	0		EBADHL
COCCN(CC(=O)[O-])C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000262352005	154226231	/nfs/dbraw/zinc/22/62/31/154226231.db2.gz	BOKOCLHAHAPMOZ-MRXNPFEDSA-N	-2	3	349.343	-0.086	20	0		EBADHL
C[C@]1(c2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000262557802	154238151	/nfs/dbraw/zinc/23/81/51/154238151.db2.gz	XFQLOPZFMUWJSY-BDJLRTHQSA-N	-2	3	347.327	-0.333	20	0		EBADHL
C[C@@]1(c2cccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c2)NC(=O)[N-]C1=O	ZINC000262608066	154239718	/nfs/dbraw/zinc/23/97/18/154239718.db2.gz	ATGAWTMNUSJWSK-ZBEGNZNMSA-N	-2	3	347.327	-0.333	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C)o1	ZINC000262834640	154248993	/nfs/dbraw/zinc/24/89/93/154248993.db2.gz	YHPQLFBLMQUQHK-VIFPVBQESA-N	-2	3	346.361	-0.188	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000263344029	154257682	/nfs/dbraw/zinc/25/76/82/154257682.db2.gz	SUDLSJVSFZHTEV-QNSHHTMESA-N	-2	3	345.377	-0.062	20	0		EBADHL
CCS(=O)(=O)c1ccc([O-])c(NC(=O)CN2CC(=O)[N-]C2=O)c1	ZINC000264721903	154290797	/nfs/dbraw/zinc/29/07/97/154290797.db2.gz	PLUNQXJFUCNEJB-UHFFFAOYSA-N	-2	3	341.345	-0.324	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-]	ZINC000274943985	154630046	/nfs/dbraw/zinc/63/00/46/154630046.db2.gz	RJMXYMMIMGWJQR-VIFPVBQESA-N	-2	3	335.309	-0.274	20	0		EBADHL
O=C(CNC(=O)c1cccc([O-])c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000294399613	155061985	/nfs/dbraw/zinc/06/19/85/155061985.db2.gz	VUGBKBHOKHLEOF-LLVKDONJSA-N	-2	3	345.359	-0.060	20	0		EBADHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000296961951	155079871	/nfs/dbraw/zinc/07/98/71/155079871.db2.gz	NYNKOFFPQJUDNH-LURJTMIESA-N	-2	3	335.725	-0.010	20	0		EBADHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)C(=O)[O-]	ZINC000297340119	155082263	/nfs/dbraw/zinc/08/22/63/155082263.db2.gz	YIDJYMQOSAELKA-SSDOTTSWSA-N	-2	3	349.317	-0.331	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])N1CCc2nc[n-]c(=O)c2C1	ZINC000344784410	156263600	/nfs/dbraw/zinc/26/36/00/156263600.db2.gz	BECQPOQBANEDHV-UHFFFAOYSA-N	-2	3	329.316	-0.403	20	0		EBADHL
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3nnn[n-]3)cc2)[n-]1	ZINC000346359444	156399482	/nfs/dbraw/zinc/39/94/82/156399482.db2.gz	AROMIYHHPOMXJJ-UHFFFAOYSA-N	-2	3	343.303	-0.354	20	0		EBADHL
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3nn[n-]n3)cc2)[n-]1	ZINC000346359444	156399483	/nfs/dbraw/zinc/39/94/83/156399483.db2.gz	AROMIYHHPOMXJJ-UHFFFAOYSA-N	-2	3	343.303	-0.354	20	0		EBADHL
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000647743873	419246294	/nfs/dbraw/zinc/24/62/94/419246294.db2.gz	FZLBUUBOGHQMOL-JTQLQIEISA-N	-2	3	332.382	-0.130	20	0		EBADHL
C[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000655562423	419413671	/nfs/dbraw/zinc/41/36/71/419413671.db2.gz	QUXUUWMYQNCRSI-RXMQYKEDSA-N	-2	3	334.126	-0.452	20	0		EBADHL
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc3nnnn3c2)s1	ZINC000532065698	419430878	/nfs/dbraw/zinc/43/08/78/419430878.db2.gz	PGKQCEZCEKZYHH-UHFFFAOYSA-N	-2	3	340.350	-0.400	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H](C(=O)[O-])C(C)C)cn1C	ZINC000655569424	419435626	/nfs/dbraw/zinc/43/56/26/419435626.db2.gz	COSXLQBMFJCEBT-SNVBAGLBSA-N	-2	3	346.409	-0.520	20	0		EBADHL
COc1cccc(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])c1F	ZINC000656156694	420882155	/nfs/dbraw/zinc/88/21/55/420882155.db2.gz	QVIUMLFDYZMCBB-ZETCQYMHSA-N	-2	3	334.325	-0.169	20	0		EBADHL
Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C2	ZINC000656179797	420882311	/nfs/dbraw/zinc/88/23/11/420882311.db2.gz	DLRSLGCDNMWRFX-LURJTMIESA-N	-2	3	343.390	-0.194	20	0		EBADHL
O=C([O-])[C@H]1COCCN1C(=O)CC[N-]S(=O)(=O)c1cccs1	ZINC000315780508	421119520	/nfs/dbraw/zinc/11/95/20/421119520.db2.gz	ROHTYPXUJHJFMG-SECBINFHSA-N	-2	3	348.402	-0.272	20	0		EBADHL
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000663097308	421125927	/nfs/dbraw/zinc/12/59/27/421125927.db2.gz	AXNTYEFJMAZEBW-CVEARBPZSA-N	-2	3	349.343	-0.153	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N(CC(=O)[O-])C(C)C)cn1C	ZINC000436060903	265236665	/nfs/dbraw/zinc/23/66/65/265236665.db2.gz	SBQJUWJIVMZDLC-UHFFFAOYSA-N	-2	3	332.382	-0.672	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)s1	ZINC000683333307	546347741	/nfs/dbraw/zinc/34/77/41/546347741.db2.gz	BJTPEGBPWIFWGQ-RKDXNWHRSA-N	-2	3	348.402	-0.095	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1nnc(-c2ccccn2)[n-]1	ZINC000730535178	582829280	/nfs/dbraw/zinc/82/92/80/582829280.db2.gz	HYCIZINNIYNQSX-UHFFFAOYSA-N	-2	3	337.303	-0.110	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1nc(-c2ccccn2)n[n-]1	ZINC000730535178	582829284	/nfs/dbraw/zinc/82/92/84/582829284.db2.gz	HYCIZINNIYNQSX-UHFFFAOYSA-N	-2	3	337.303	-0.110	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1n[n-]c(-c2ccccn2)n1	ZINC000730535178	582829286	/nfs/dbraw/zinc/82/92/86/582829286.db2.gz	HYCIZINNIYNQSX-UHFFFAOYSA-N	-2	3	337.303	-0.110	20	0		EBADHL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-]	ZINC000738207842	583045344	/nfs/dbraw/zinc/04/53/44/583045344.db2.gz	IXFFYAFEKJXIAV-QMMMGPOBSA-N	-3	3	341.305	-0.927	20	0		EBADHL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-]	ZINC000738207842	583045347	/nfs/dbraw/zinc/04/53/47/583045347.db2.gz	IXFFYAFEKJXIAV-QMMMGPOBSA-N	-3	3	341.305	-0.927	20	0		EBADHL
O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@H]1CC(=O)N(C2CC2)C1	ZINC000838910721	583058679	/nfs/dbraw/zinc/05/86/79/583058679.db2.gz	ADFCLVZGLOQXBB-QMMMGPOBSA-N	-2	3	349.372	-0.226	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCCCCCC(=O)[O-])c1	ZINC000769484678	583324322	/nfs/dbraw/zinc/32/43/22/583324322.db2.gz	PMZMRQNEAQNZAQ-UHFFFAOYSA-N	-2	3	346.409	-0.150	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N(CCOC)CC(=O)[O-])ccc1F	ZINC000769464367	583324365	/nfs/dbraw/zinc/32/43/65/583324365.db2.gz	OWPHIMXYIJRXGW-UHFFFAOYSA-N	-2	3	348.352	-0.093	20	0		EBADHL
CCS(=O)(=O)[N-][C@@H](CCSC)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774908832	583391860	/nfs/dbraw/zinc/39/18/60/583391860.db2.gz	QCKZLZBOIOMKEV-ZETCQYMHSA-N	-2	3	338.411	-0.386	20	0		EBADHL
COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c1F	ZINC000776445428	583404555	/nfs/dbraw/zinc/40/45/55/583404555.db2.gz	VSVJLFBBFVGOGR-ZCFIWIBFSA-N	-2	3	339.272	-0.525	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)[N-]OCCO)CCCC1	ZINC000787294385	583517602	/nfs/dbraw/zinc/51/76/02/583517602.db2.gz	VSIDOAKWZSONEE-UHFFFAOYSA-N	-2	3	347.393	-0.077	20	0		EBADHL
CC(C(=O)N(C)C)=S(=O)([O-])N=c1nc(C(F)(F)F)[n-]n1C	ZINC000808554017	583670256	/nfs/dbraw/zinc/67/02/56/583670256.db2.gz	NQDONPTZFGPJEO-YFKPBYRVSA-N	-2	3	329.304	-0.526	20	0		EBADHL
O=C([N-][C@@H]1CC[C@H]1O)C(F)(F)C(F)(F)C(=O)[N-][C@@H]1CC[C@H]1O	ZINC000819685648	583759499	/nfs/dbraw/zinc/75/94/99/583759499.db2.gz	HJCLCFUVWHIJQD-WCTZXXKLSA-N	-2	3	328.262	-0.464	20	0		EBADHL
CC(=O)NCCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)[C@@H](C)C(=O)[O-]	ZINC000819745801	583760656	/nfs/dbraw/zinc/76/06/56/583760656.db2.gz	KNQHBAMGWGYPRC-VIFPVBQESA-N	-2	3	338.364	-0.221	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCCN2CC(=O)[O-])co1	ZINC000820641025	583776703	/nfs/dbraw/zinc/77/67/03/583776703.db2.gz	JJTWBLRTCBGBJP-JTQLQIEISA-N	-2	3	346.361	-0.107	20	0		EBADHL
Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000822645827	583815455	/nfs/dbraw/zinc/81/54/55/583815455.db2.gz	RDMVABGGQSWUDA-UHFFFAOYSA-N	-2	3	339.381	-0.334	20	0		EBADHL
Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000822645827	583815458	/nfs/dbraw/zinc/81/54/58/583815458.db2.gz	RDMVABGGQSWUDA-UHFFFAOYSA-N	-2	3	339.381	-0.334	20	0		EBADHL
C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000824680207	583848790	/nfs/dbraw/zinc/84/87/90/583848790.db2.gz	ZCFGKQNXXRDMGQ-KRTXAFLBSA-N	-2	3	346.347	-0.214	20	0		EBADHL
C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000824731344	583849381	/nfs/dbraw/zinc/84/93/81/583849381.db2.gz	URVMTBJUDJVLRK-JOYOIKCWSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000824731344	583849383	/nfs/dbraw/zinc/84/93/83/583849383.db2.gz	URVMTBJUDJVLRK-JOYOIKCWSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2nc3c(cnn3C)c(=O)[n-]2)CCO1	ZINC000825358148	583859253	/nfs/dbraw/zinc/85/92/53/583859253.db2.gz	DPVXFNVKSRQXER-PSASIEDQSA-N	-2	3	336.352	-0.074	20	0		EBADHL
C/C(=C\COC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000825758199	583866453	/nfs/dbraw/zinc/86/64/53/583866453.db2.gz	FTAJKKKCGLIFSA-WEVVVXLNSA-N	-2	3	345.377	-0.029	20	0		EBADHL
C[C@H]1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@@H]1CNC(=O)[O-]	ZINC000825914168	583870786	/nfs/dbraw/zinc/87/07/86/583870786.db2.gz	XUSFCJWFGUOFHM-NKWVEPMBSA-N	-2	3	325.325	-0.022	20	0		EBADHL
COC(=O)C[N-]S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F	ZINC000826138464	583882653	/nfs/dbraw/zinc/88/26/53/583882653.db2.gz	WAPKEZQRZWHUEW-UHFFFAOYSA-N	-2	3	329.313	-0.402	20	0		EBADHL
COC(=O)C[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F	ZINC000826138464	583882654	/nfs/dbraw/zinc/88/26/54/583882654.db2.gz	WAPKEZQRZWHUEW-UHFFFAOYSA-N	-2	3	329.313	-0.402	20	0		EBADHL
Cn1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1	ZINC000826362819	583894849	/nfs/dbraw/zinc/89/48/49/583894849.db2.gz	JREMPFCTPPIAAU-UHFFFAOYSA-N	-2	3	347.360	-0.352	20	0		EBADHL
Cn1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1	ZINC000826362819	583894851	/nfs/dbraw/zinc/89/48/51/583894851.db2.gz	JREMPFCTPPIAAU-UHFFFAOYSA-N	-2	3	347.360	-0.352	20	0		EBADHL
O=C([N-]S(=O)(=O)N1CCCCC1)c1ccc(-c2nnn[n-]2)[nH]1	ZINC000826449797	583902682	/nfs/dbraw/zinc/90/26/82/583902682.db2.gz	KFDORGLEAAZSMN-UHFFFAOYSA-N	-2	3	325.354	-0.345	20	0		EBADHL
O=C([N-]S(=O)(=O)N1CCCCC1)c1ccc(-c2nn[n-]n2)[nH]1	ZINC000826449797	583902684	/nfs/dbraw/zinc/90/26/84/583902684.db2.gz	KFDORGLEAAZSMN-UHFFFAOYSA-N	-2	3	325.354	-0.345	20	0		EBADHL
O=C(c1n[nH]c(=O)[n-]1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1	ZINC000826475027	583903510	/nfs/dbraw/zinc/90/35/10/583903510.db2.gz	PLEFNLRBVYPZAL-SNVBAGLBSA-N	-2	3	342.319	-0.096	20	0		EBADHL
O=C(c1n[nH]c(=O)[n-]1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1	ZINC000826475027	583903512	/nfs/dbraw/zinc/90/35/12/583903512.db2.gz	PLEFNLRBVYPZAL-SNVBAGLBSA-N	-2	3	342.319	-0.096	20	0		EBADHL
C[C@H](CS(=O)(=O)[N-][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C(=O)[O-]	ZINC000827550658	583923344	/nfs/dbraw/zinc/92/33/44/583923344.db2.gz	BUANKWAWYPLCCY-WCABBAIRSA-N	-2	3	344.393	-0.446	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[O-])CC2)c(C)o1	ZINC000828580353	583943054	/nfs/dbraw/zinc/94/30/54/583943054.db2.gz	YZWBAXBIMXBYTB-UHFFFAOYSA-N	-2	3	331.350	-0.068	20	0		EBADHL
CCC[C@@](C)(NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000829193891	583951379	/nfs/dbraw/zinc/95/13/79/583951379.db2.gz	NAVLMRVBIGUOIE-GFCCVEGCSA-N	-2	3	332.382	-0.542	20	0		EBADHL
CCS(=O)(=O)CC[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000829211686	583951432	/nfs/dbraw/zinc/95/14/32/583951432.db2.gz	FNTFRJHWSZZISK-UHFFFAOYSA-N	-2	3	328.393	-0.446	20	0		EBADHL
O=C([O-])C[C@]1([N-]S(=O)(=O)c2cnn3c2OCCC3)CCCOC1	ZINC000830098574	583963810	/nfs/dbraw/zinc/96/38/10/583963810.db2.gz	SMIPVJMBCNGHMT-CYBMUJFWSA-N	-2	3	345.377	-0.032	20	0		EBADHL
CCc1[nH]c(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(C)c1C(=O)[O-]	ZINC000830190889	583965376	/nfs/dbraw/zinc/96/53/76/583965376.db2.gz	DIKKNGCGIPNNIL-VIFPVBQESA-N	-2	3	334.332	-0.040	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)[O-])C(=O)OC)c(C)o1	ZINC000831028829	583974981	/nfs/dbraw/zinc/97/49/81/583974981.db2.gz	AOVFMBGTEGSBSH-QMMMGPOBSA-N	-2	3	348.333	-0.758	20	0		EBADHL
COC(=O)[C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-][C@H](C)C(=O)[O-]	ZINC000831215216	583979475	/nfs/dbraw/zinc/97/94/75/583979475.db2.gz	MQKZOCUOZCDXJY-RFZPGFLSSA-N	-3	3	346.233	-0.476	20	0		EBADHL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCN(C)C1=O	ZINC000831934874	583993638	/nfs/dbraw/zinc/99/36/38/583993638.db2.gz	ZJYSGYSMZIIZNA-LURJTMIESA-N	-2	3	334.375	-0.036	20	0		EBADHL
O=C([O-])NCc1ccc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1	ZINC000832685164	584000472	/nfs/dbraw/zinc/00/04/72/584000472.db2.gz	ZODWPYABHHXTPI-NSHDSACASA-N	-2	3	332.316	-0.170	20	0		EBADHL
NC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CCOCC1	ZINC000833080963	584004437	/nfs/dbraw/zinc/00/44/37/584004437.db2.gz	DISFCCBLJLLTAL-UHFFFAOYSA-N	-2	3	346.336	-0.163	20	0		EBADHL
O=C([O-])Cn1cc(CCOC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)nn1	ZINC000833270262	584007991	/nfs/dbraw/zinc/00/79/91/584007991.db2.gz	URGGPGNVWPTWQP-UHFFFAOYSA-N	-2	3	344.283	-0.354	20	0		EBADHL
COC(=O)C1([N-]S(=O)(=O)c2cn(C)cn2)CCC(C(=O)[O-])CC1	ZINC000833702492	584014409	/nfs/dbraw/zinc/01/44/09/584014409.db2.gz	XAEDTMZCVYAOIA-UHFFFAOYSA-N	-2	3	345.377	-0.115	20	0		EBADHL
Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])CC2	ZINC000833756496	584015953	/nfs/dbraw/zinc/01/59/53/584015953.db2.gz	KYTVWYUVOSADGU-MRVPVSSYSA-N	-2	3	340.365	-0.390	20	0		EBADHL
O=C([O-])c1cn(C2CN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)nn1	ZINC000833783971	584016197	/nfs/dbraw/zinc/01/61/97/584016197.db2.gz	QDUIDAGJIRWOEY-UHFFFAOYSA-N	-2	3	341.283	-0.443	20	0		EBADHL
CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]OC[C@H](C)NC(=O)[O-])C1	ZINC000833863863	584017560	/nfs/dbraw/zinc/01/75/60/584017560.db2.gz	SXKWQDGADDGALE-VHSXEESVSA-N	-2	3	337.398	-0.248	20	0		EBADHL
Cc1nc2nc(N)nn2c(C)c1CC(=O)[N-]OC[C@@H](C)NC(=O)[O-]	ZINC000833915800	584019630	/nfs/dbraw/zinc/01/96/30/584019630.db2.gz	RHYNOQMMMJUGDD-ZCFIWIBFSA-N	-2	3	337.340	-0.430	20	0		EBADHL
O=C([O-])N1CC(OCCC(=O)Nc2nnc(SCCO)[n-]2)C1	ZINC000833993860	584023375	/nfs/dbraw/zinc/02/33/75/584023375.db2.gz	JKYMZBQYJNDTJF-UHFFFAOYSA-N	-2	3	331.354	-0.404	20	0		EBADHL
O=C([O-])N1CC(OCCC(=O)Nc2n[n-]c(SCCO)n2)C1	ZINC000833993860	584023376	/nfs/dbraw/zinc/02/33/76/584023376.db2.gz	JKYMZBQYJNDTJF-UHFFFAOYSA-N	-2	3	331.354	-0.404	20	0		EBADHL
O=C([O-])N1CC(OCCC(=O)Nc2nc(SCCO)n[n-]2)C1	ZINC000833993860	584023378	/nfs/dbraw/zinc/02/33/78/584023378.db2.gz	JKYMZBQYJNDTJF-UHFFFAOYSA-N	-2	3	331.354	-0.404	20	0		EBADHL
O=C([O-])N[C@@H]1CCc2ncc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2C1	ZINC000834192826	584027880	/nfs/dbraw/zinc/02/78/80/584027880.db2.gz	QVUVXPHWQABQNB-KCJUWKMLSA-N	-2	3	347.331	-0.257	20	0		EBADHL
O=C([O-])N1CCC(CCC(=O)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)CC1	ZINC000834288312	584030487	/nfs/dbraw/zinc/03/04/87/584030487.db2.gz	FEUUAQTVBMSHHH-HNNXBMFYSA-N	-2	3	338.364	-0.033	20	0		EBADHL
O=C([O-])N1CCC(CCC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CC1	ZINC000834291083	584030911	/nfs/dbraw/zinc/03/09/11/584030911.db2.gz	WOFMJJDTRCCRHD-LLVKDONJSA-N	-2	3	338.364	-0.081	20	0		EBADHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000837298632	584047599	/nfs/dbraw/zinc/04/75/99/584047599.db2.gz	YXYRCBCICHVSID-MRVPVSSYSA-N	-2	3	331.350	-0.486	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC	ZINC000846003638	584119676	/nfs/dbraw/zinc/11/96/76/584119676.db2.gz	HYGLLSYTFKNSQB-UHFFFAOYSA-N	-2	3	334.325	-0.042	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])cc(F)c1F	ZINC000849221658	584166954	/nfs/dbraw/zinc/16/69/54/584166954.db2.gz	UVTFEYBZWZFITQ-MRVPVSSYSA-N	-2	3	339.272	-0.525	20	0		EBADHL
CS(=O)(=O)NCCc1ccc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)s1	ZINC000854611167	584244303	/nfs/dbraw/zinc/24/43/03/584244303.db2.gz	UWWUSFQUGWXNFM-UHFFFAOYSA-N	-2	3	347.378	-0.774	20	0		EBADHL
O=C([N-]n1c(=O)[n-][nH]c1=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F	ZINC000854612748	584244603	/nfs/dbraw/zinc/24/46/03/584244603.db2.gz	PWLUTPVASOVFNJ-RITPCOANSA-N	-2	3	326.231	-0.257	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)Cc1cc(C(=O)OCC)no1	ZINC000859208270	584297455	/nfs/dbraw/zinc/29/74/55/584297455.db2.gz	LDRCIWDNMGSUSF-UHFFFAOYSA-N	-2	3	335.338	-0.662	20	0		EBADHL
COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CC(C)=O)C(=O)[O-]	ZINC000863411094	584370141	/nfs/dbraw/zinc/37/01/41/584370141.db2.gz	UFCWLIQJVHTSPE-LURJTMIESA-N	-2	3	336.347	-0.360	20	0		EBADHL
O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1nnc2ccccc2c1[O-]	ZINC000739633853	600484137	/nfs/dbraw/zinc/48/41/37/600484137.db2.gz	IRMOVPMBPKZIPI-SNVBAGLBSA-N	-2	3	330.300	-0.249	20	0		EBADHL
CN(CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000739695964	602298332	/nfs/dbraw/zinc/29/83/32/602298332.db2.gz	XTCJRLWFUJNVGM-UHFFFAOYSA-N	-2	3	349.141	-0.563	20	0		EBADHL
O=C([O-])N1CCOC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000740444319	602897829	/nfs/dbraw/zinc/89/78/29/602897829.db2.gz	FBJAEMCSHXFIHB-LLVKDONJSA-N	-2	3	332.320	-0.138	20	0		EBADHL
CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000023990440	649933757	/nfs/dbraw/zinc/93/37/57/649933757.db2.gz	NZVUKXYUQXIHAZ-UHFFFAOYSA-N	-3	3	343.361	-0.534	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2C)c1[O-]	ZINC000941964988	653008772	/nfs/dbraw/zinc/00/87/72/653008772.db2.gz	VHNJGTQUMXCJHO-WPRPVWTQSA-N	-2	3	349.395	-0.514	20	0		EBADHL
C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@@H]1NC(=O)c1cnc[n-]c1=O	ZINC000942168238	653051404	/nfs/dbraw/zinc/05/14/04/653051404.db2.gz	OZTMXAJMPHBJHQ-WPRPVWTQSA-N	-2	3	333.352	-0.354	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C)c1[O-]	ZINC000966532461	724674732	/nfs/dbraw/zinc/67/47/32/724674732.db2.gz	XUQJLFBBIIRYKF-XVKPBYJWSA-N	-2	3	346.347	-0.190	20	0		EBADHL
C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000969546033	725191499	/nfs/dbraw/zinc/19/14/99/725191499.db2.gz	HPRMARZJOPIHOJ-VIFPVBQESA-N	-2	3	332.364	-0.541	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC000972145348	725471411	/nfs/dbraw/zinc/47/14/11/725471411.db2.gz	ZNDMACCHGMBTMD-VIFPVBQESA-N	-2	3	333.352	-0.339	20	0		EBADHL
C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1Cc1nc(=O)n(C)[n-]1	ZINC000993250140	725865595	/nfs/dbraw/zinc/86/55/95/725865595.db2.gz	PNORCOISNLLYJK-WDEREUQCSA-N	-2	3	346.391	-0.008	20	0		EBADHL
O=C(NC1CN(C(=O)c2ccccc2[O-])C1)c1n[nH]c(=O)[n-]c1=O	ZINC000996746067	726425168	/nfs/dbraw/zinc/42/51/68/726425168.db2.gz	QJPOSNCRABLMHT-UHFFFAOYSA-N	-2	3	331.288	-0.757	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC001012960291	727711721	/nfs/dbraw/zinc/71/17/21/727711721.db2.gz	FZZILAMOXCTREW-IONNQARKSA-N	-2	3	346.347	-0.048	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC001012960290	727711749	/nfs/dbraw/zinc/71/17/49/727711749.db2.gz	FZZILAMOXCTREW-CBAPKCEASA-N	-2	3	346.347	-0.048	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CCC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c1[O-]	ZINC001023938202	729817931	/nfs/dbraw/zinc/81/79/31/729817931.db2.gz	RRVOYOOWHNWNQQ-SECBINFHSA-N	-2	3	335.368	-0.111	20	0		EBADHL
O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCO1)c1ccccc1[O-]	ZINC001035296982	731207418	/nfs/dbraw/zinc/20/74/18/731207418.db2.gz	SKJJTKYNCWWDOJ-SNVBAGLBSA-N	-2	3	333.348	-0.153	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001039666453	731482596	/nfs/dbraw/zinc/48/25/96/731482596.db2.gz	UGRUETYEPPZKAY-AOOOYVTPSA-N	-2	3	345.363	-0.115	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001045800037	733775620	/nfs/dbraw/zinc/77/56/20/733775620.db2.gz	NHSDLOVACRVCDB-ZJUUUORDSA-N	-2	3	345.363	-0.115	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1	ZINC001049544539	734750882	/nfs/dbraw/zinc/75/08/82/734750882.db2.gz	NZRIVTIWOWSSOA-GHMZBOCLSA-N	-2	3	345.363	-0.115	20	0		EBADHL
Cc1[nH]nc(C(=O)N2CCC(N(C)Cc3n[nH]c(=O)[n-]3)CC2)c1[O-]	ZINC000985382901	807500347	/nfs/dbraw/zinc/50/03/47/807500347.db2.gz	DLVMKBMAJRLBNR-UHFFFAOYSA-N	-2	3	335.368	-0.016	20	0		EBADHL
O=C(NC1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ccccc1[O-]	ZINC000990272984	808717600	/nfs/dbraw/zinc/71/76/00/808717600.db2.gz	AWTWIHZOHLOFTQ-UHFFFAOYSA-N	-2	3	331.288	-0.757	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=S)nc2[nH]ccc21)[C@@H](O)C(=O)[O-]	ZINC001228529247	811986244	/nfs/dbraw/zinc/98/62/44/811986244.db2.gz	SGAAEMDKDBTITN-CAHLUQPWSA-N	-3	3	341.301	-0.312	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1ccccc1-c1nnn[n-]1)[C@H](O)C(=O)[O-]	ZINC001229950628	812064961	/nfs/dbraw/zinc/06/49/61/812064961.db2.gz	NDPPTJSKMDWAEW-XVKPBYJWSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1ccccc1-c1nn[n-]n1)[C@H](O)C(=O)[O-]	ZINC001229950628	812064969	/nfs/dbraw/zinc/06/49/69/812064969.db2.gz	NDPPTJSKMDWAEW-XVKPBYJWSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1cccc(-c2nnn[n-]2)c1)[C@@H](O)C(=O)[O-]	ZINC001231121919	812273977	/nfs/dbraw/zinc/27/39/77/812273977.db2.gz	PRTIGZFUWAHNNA-WCBMZHEXSA-N	-3	3	336.260	-0.692	20	0		EBADHL
O=C([O-])C[C@H](C(=O)Oc1cccc(-c2nn[n-]n2)c1)[C@@H](O)C(=O)[O-]	ZINC001231121919	812273985	/nfs/dbraw/zinc/27/39/85/812273985.db2.gz	PRTIGZFUWAHNNA-WCBMZHEXSA-N	-3	3	336.260	-0.692	20	0		EBADHL
Cc1ncc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(=O)[n-]1	ZINC001260405447	812832670	/nfs/dbraw/zinc/83/26/70/812832670.db2.gz	ZMCUPHTTZFSYEJ-VIFPVBQESA-N	-2	3	325.302	-0.233	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001084595910	815946228	/nfs/dbraw/zinc/94/62/28/815946228.db2.gz	MGABHSLWPGKNBH-NXEZZACHSA-N	-2	3	345.363	-0.339	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001085778952	816143968	/nfs/dbraw/zinc/14/39/68/816143968.db2.gz	KRZQPBCYXSLVOK-SECBINFHSA-N	-2	3	333.352	-0.339	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)C1CC=CC1	ZINC001087255587	816484403	/nfs/dbraw/zinc/48/44/03/816484403.db2.gz	AKTNYOGXUMQKRO-UHFFFAOYSA-N	-2	3	345.363	-0.122	20	0		EBADHL
O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccc1[O-]	ZINC001090081917	817013957	/nfs/dbraw/zinc/01/39/57/817013957.db2.gz	DEBGRUPHFUGFSW-CMPLNLGQSA-N	-2	3	333.348	-0.419	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001095897399	818706223	/nfs/dbraw/zinc/70/62/23/818706223.db2.gz	LQWDJSQMJHHUBY-UTLUCORTSA-N	-2	3	345.363	-0.150	20	0		EBADHL
Cc1ncc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(=O)[n-]1	ZINC001192753331	834726996	/nfs/dbraw/zinc/72/69/96/834726996.db2.gz	IPFPWZNXWPJDLN-NSHDSACASA-N	-2	3	339.329	-0.174	20	0		EBADHL
Cn1c2cc([O-])c(NC(=O)[C@H]3CC(C(=O)[O-])=NO3)cc2n(C)c1=O	ZINC001611268608	970963056	/nfs/dbraw/zinc/96/30/56/970963056.db2.gz	UVYPWAOEQQZSJU-LLVKDONJSA-N	-2	3	334.288	-0.249	20	0		EBADHL
CCOC(=O)c1nnc([C@H](C)NC(=O)[C@]2(C(=O)[O-])CCCO2)[n-]1	ZINC001591278977	951110518	/nfs/dbraw/zinc/11/05/18/951110518.db2.gz	CSGGTNFGBWHKDN-CPFSXVBKSA-N	-2	3	326.309	-0.208	20	0		EBADHL
C[C@H](CNC(=O)c1ncccc1[O-])Nc1cnc(-c2nnn[n-]2)cn1	ZINC001575068236	951631945	/nfs/dbraw/zinc/63/19/45/951631945.db2.gz	YILJXNWIJCJBPG-MRVPVSSYSA-N	-2	3	341.335	-0.012	20	0		EBADHL
C[C@H](CNC(=O)c1ncccc1[O-])Nc1cnc(-c2nn[n-]n2)cn1	ZINC001575068236	951631955	/nfs/dbraw/zinc/63/19/55/951631955.db2.gz	YILJXNWIJCJBPG-MRVPVSSYSA-N	-2	3	341.335	-0.012	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)C2(CC(=O)[O-])CCOCC2)n1	ZINC001593854185	955482658	/nfs/dbraw/zinc/48/26/58/955482658.db2.gz	TWAFYDPUKWVEKM-UHFFFAOYSA-N	-2	3	326.309	-0.270	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)C2(CC(=O)[O-])CCOCC2)n[n-]1	ZINC001593854185	955482670	/nfs/dbraw/zinc/48/26/70/955482670.db2.gz	TWAFYDPUKWVEKM-UHFFFAOYSA-N	-2	3	326.309	-0.270	20	0		EBADHL
Cc1nc(C)c(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(=O)[n-]1	ZINC001594449205	959347629	/nfs/dbraw/zinc/34/76/29/959347629.db2.gz	MROAGRPIVOLWSX-SNVBAGLBSA-N	-2	3	343.361	-0.948	20	0		EBADHL
C[C@H](O)[C@H](O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001603266262	972458432	/nfs/dbraw/zinc/45/84/32/972458432.db2.gz	SMLIRDXHBPNLLQ-RBXMUDONSA-N	-2	3	328.287	-0.676	20	0		EBADHL
CNC(=O)c1n[n-]nc1NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001574037484	962057228	/nfs/dbraw/zinc/05/72/28/962057228.db2.gz	YPMINLFFMRPWJM-GFCCVEGCSA-N	-2	3	326.313	-0.881	20	0		EBADHL
O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CC2(CC(NCc3n[nH]c(=O)[n-]3)C2)C1	ZINC001571223726	962565007	/nfs/dbraw/zinc/56/50/07/962565007.db2.gz	LAFFIARTTHSBQQ-INRSQXBPSA-N	-2	3	335.364	-0.252	20	0		EBADHL
Cc1nc(CS(=O)(=O)[N-][C@H]2CCCCN(CC(=O)[O-])C2=O)no1	ZINC001605408458	973405447	/nfs/dbraw/zinc/40/54/47/973405447.db2.gz	SZYDFGJKOOKUEH-VIFPVBQESA-N	-2	3	346.365	-0.737	20	0		EBADHL
CCN(CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Cc1nc(=O)n(C)[n-]1	ZINC001596326974	983761380	/nfs/dbraw/zinc/76/13/80/983761380.db2.gz	OIYHUCFNVKOGQZ-NXEZZACHSA-N	-2	3	325.369	-0.843	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])CCOC2)s1	ZINC001589225572	985757393	/nfs/dbraw/zinc/75/73/93/985757393.db2.gz	WOYNWPDUIQXVIY-NSHDSACASA-N	-2	3	349.390	-0.129	20	0		EBADHL
CC(C)(C)OC(=O)[C@@](C)(O)C[N-]S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001589845426	988361695	/nfs/dbraw/zinc/36/16/95/988361695.db2.gz	ZMOCUYUCGUFSOZ-LBPRGKRZSA-N	-2	3	337.394	-0.137	20	0		EBADHL
CC(C)(CCS(C)(=O)=O)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001590694541	990412855	/nfs/dbraw/zinc/41/28/55/990412855.db2.gz	QKKWWDFBIRIJBK-UHFFFAOYSA-N	-2	3	339.395	-0.401	20	0		EBADHL
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@]1(CC(=O)[O-])CCCOC1	ZINC001598283281	991172413	/nfs/dbraw/zinc/17/24/13/991172413.db2.gz	GPYKLPRWJTVNGU-FVINQWEUSA-N	-2	3	343.427	-0.581	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)c(C)o1	ZINC001598673268	994795343	/nfs/dbraw/zinc/79/53/43/994795343.db2.gz	KSCCJAKHRGBFSR-ZDUSSCGKSA-N	-2	3	346.361	-0.283	20	0		EBADHL
COC(=O)[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H]1CCOC1	ZINC001598701386	995227508	/nfs/dbraw/zinc/22/75/08/995227508.db2.gz	CXEKBLYYTHBZQF-YUMQZZPRSA-N	-2	3	347.349	-0.788	20	0		EBADHL
C[C@H]1[C@H]([N-]S(=O)(=O)CCC(F)(F)F)C(=O)N1S(=O)(=O)[O-]	ZINC001259874314	1130542353	/nfs/dbraw/zinc/54/23/53/1130542353.db2.gz	GBJDYHKILGQMGM-WHFBIAKZSA-N	-2	3	340.301	-0.740	20	0		EBADHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-]	ZINC000044242876	376109268	/nfs/dbraw/zinc/10/92/68/376109268.db2.gz	GHXMUPLTCVSNLT-XRGYYRRGSA-N	-2	3	339.167	-0.044	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1C	ZINC000584113553	376212579	/nfs/dbraw/zinc/21/25/79/376212579.db2.gz	XHTBTFSKSFYWBK-CYBMUJFWSA-N	-2	3	344.393	-0.670	20	0		EBADHL
CN(Cc1n[n-]c(=O)o1)C(=O)C[N-]S(=O)(=O)c1ccccc1F	ZINC000622118061	379418136	/nfs/dbraw/zinc/41/81/36/379418136.db2.gz	HVWNBPQMULQNMM-UHFFFAOYSA-N	-2	3	344.324	-0.149	20	0		EBADHL
CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)c1nnn[n-]1	ZINC000274485416	379696857	/nfs/dbraw/zinc/69/68/57/379696857.db2.gz	CEJOVCZWEXDBOK-VIFPVBQESA-N	-2	3	339.381	-0.226	20	0		EBADHL
CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)c1nn[n-]n1	ZINC000274485416	379696860	/nfs/dbraw/zinc/69/68/60/379696860.db2.gz	CEJOVCZWEXDBOK-VIFPVBQESA-N	-2	3	339.381	-0.226	20	0		EBADHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-]	ZINC000274875141	379719985	/nfs/dbraw/zinc/71/99/85/379719985.db2.gz	BLUISQMTVVWLMY-YLWLKBPMSA-N	-2	3	339.167	-0.044	20	0		EBADHL
O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000275021510	379732266	/nfs/dbraw/zinc/73/22/66/379732266.db2.gz	DLVZAGZEJDDPMI-VIFPVBQESA-N	-2	3	332.309	-0.566	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-]	ZINC000275100857	379735459	/nfs/dbraw/zinc/73/54/59/379735459.db2.gz	QKWZWDIYFUYVTE-VIFPVBQESA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275324509	379750955	/nfs/dbraw/zinc/75/09/55/379750955.db2.gz	SRTBMSSZWYQJFA-MRVPVSSYSA-N	-2	3	343.317	-0.093	20	0		EBADHL
C[C@](CO)(C[N-]S(=O)(=O)c1cccc2nonc21)CC(=O)[O-]	ZINC000275540042	379762533	/nfs/dbraw/zinc/76/25/33/379762533.db2.gz	CTFASWBXGSUNFD-GFCCVEGCSA-N	-2	3	329.334	-0.026	20	0		EBADHL
Cc1cc(C(=O)NC[C@]2(O)CCN(C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000545171924	380084435	/nfs/dbraw/zinc/08/44/35/380084435.db2.gz	DLOMJKOHSIOPLP-OAHLLOKOSA-N	-2	3	333.348	-0.459	20	0		EBADHL
CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CCO)C(=O)[O-]	ZINC000547544345	380141643	/nfs/dbraw/zinc/14/16/43/380141643.db2.gz	SOSUYAXZEZHZJZ-SSDOTTSWSA-N	-2	3	335.334	-0.258	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1cccs1)NCCCc1n[nH]c(=O)[n-]1	ZINC000354957913	380122311	/nfs/dbraw/zinc/12/23/11/380122311.db2.gz	KNRATGZKRSLTBB-UHFFFAOYSA-N	-2	3	345.406	-0.401	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-]	ZINC000547887361	380168262	/nfs/dbraw/zinc/16/82/62/380168262.db2.gz	RIPMEPOPAXQVOY-VIFPVBQESA-N	-2	3	335.309	-0.010	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-]	ZINC000547895930	380169802	/nfs/dbraw/zinc/16/98/02/380169802.db2.gz	CWYQDCLKQJVALU-MRVPVSSYSA-N	-2	3	335.309	-0.010	20	0		EBADHL
CC(=O)NCc1ccc(S(=O)(=O)[N-]CCOCC(=O)[O-])s1	ZINC000547935753	380172573	/nfs/dbraw/zinc/17/25/73/380172573.db2.gz	AOKAVVOEIPXZQS-UHFFFAOYSA-N	-2	3	336.391	-0.236	20	0		EBADHL
O=C([O-])C[C@@]1([N-]S(=O)(=O)c2cnn3c2OCCC3)CCOC1	ZINC000568507379	380603629	/nfs/dbraw/zinc/60/36/29/380603629.db2.gz	URQWPZQRKOPBQZ-LBPRGKRZSA-N	-2	3	331.350	-0.422	20	0		EBADHL
O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[n-]nn2)C1=O	ZINC000573205950	380663605	/nfs/dbraw/zinc/66/36/05/380663605.db2.gz	KONBFDYQFWQXJN-CMPLNLGQSA-N	-2	3	329.316	-0.039	20	0		EBADHL
O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cn[n-]n2)C1=O	ZINC000573205950	380663610	/nfs/dbraw/zinc/66/36/10/380663610.db2.gz	KONBFDYQFWQXJN-CMPLNLGQSA-N	-2	3	329.316	-0.039	20	0		EBADHL
O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cnn[n-]2)C1=O	ZINC000573205950	380663612	/nfs/dbraw/zinc/66/36/12/380663612.db2.gz	KONBFDYQFWQXJN-CMPLNLGQSA-N	-2	3	329.316	-0.039	20	0		EBADHL
NC(=O)C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-]	ZINC000576881981	380789431	/nfs/dbraw/zinc/78/94/31/380789431.db2.gz	WEJFDPRJFCWDGP-LURJTMIESA-N	-2	3	341.267	-0.293	20	0		EBADHL
CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c1	ZINC000577867402	380846903	/nfs/dbraw/zinc/84/69/03/380846903.db2.gz	YNNJCDKBCYJHLQ-SNVBAGLBSA-N	-2	3	335.309	-0.274	20	0		EBADHL
COc1ccc(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])c(F)c1	ZINC000582999451	381092092	/nfs/dbraw/zinc/09/20/92/381092092.db2.gz	HVFBDNPYSUCRQV-VIFPVBQESA-N	-2	3	334.325	-0.169	20	0		EBADHL
CCOC(=O)Cn1cnc(=NC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)[n-]1	ZINC000425719931	381932471	/nfs/dbraw/zinc/93/24/71/381932471.db2.gz	XNRWTTMRBJTELT-SNVBAGLBSA-N	-2	3	349.351	-0.096	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c1	ZINC000352880153	382056378	/nfs/dbraw/zinc/05/63/78/382056378.db2.gz	GYMCZNIUBRVDJD-UHFFFAOYSA-N	-2	3	345.308	-0.190	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274922771	292012988	/nfs/dbraw/zinc/01/29/88/292012988.db2.gz	NECHOHGNKFMALF-QMMMGPOBSA-N	-3	3	349.292	-0.182	20	0		EBADHL
C[C@]1(c2ccc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cc2)NC(=O)[N-]C1=O	ZINC000262166997	154216889	/nfs/dbraw/zinc/21/68/89/154216889.db2.gz	VYDFEBMFSPRJCV-CVEARBPZSA-N	-2	3	347.327	-0.285	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000262404550	154230405	/nfs/dbraw/zinc/23/04/05/154230405.db2.gz	OGYREAJRWHXVSJ-SDBXPKJASA-N	-2	3	348.352	-0.556	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000262496291	154232817	/nfs/dbraw/zinc/23/28/17/154232817.db2.gz	HCCWZTDZLKTOHU-XPUUQOCRSA-N	-2	3	333.366	-0.205	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000262548304	154236915	/nfs/dbraw/zinc/23/69/15/154236915.db2.gz	SOOBXZLWAUCMIS-CPCISQLKSA-N	-2	3	336.391	-0.633	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H](C)CC(=O)[O-]	ZINC000262991199	154251252	/nfs/dbraw/zinc/25/12/52/154251252.db2.gz	OIWCXWOTAKIALA-HTRCEHHLSA-N	-2	3	333.366	-0.062	20	0		EBADHL
CO[C@H](CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000263061160	154253461	/nfs/dbraw/zinc/25/34/61/154253461.db2.gz	HOLKVOOQVZOQFK-MEBBXXQBSA-N	-2	3	335.316	-0.429	20	0		EBADHL
CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274937156	154630415	/nfs/dbraw/zinc/63/04/15/154630415.db2.gz	FLGLWRWTBUQCTL-VIFPVBQESA-N	-3	3	333.366	-0.007	20	0		EBADHL
O=C(C[N-]S(=O)(=O)c1ccccc1F)NCCc1nc(=O)o[n-]1	ZINC000356056223	157041530	/nfs/dbraw/zinc/04/15/30/157041530.db2.gz	NIBDTNYBTXAJKO-UHFFFAOYSA-N	-2	3	344.324	-0.861	20	0		EBADHL
COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-]	ZINC000527300319	419100846	/nfs/dbraw/zinc/10/08/46/419100846.db2.gz	JELFLNKLVFPGBA-VIFPVBQESA-N	-2	3	337.325	-0.425	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1	ZINC000647262200	419057702	/nfs/dbraw/zinc/05/77/02/419057702.db2.gz	JMVAQOGJFDPDNA-DTWKUNHWSA-N	-2	3	330.366	-0.932	20	0		EBADHL
C[C@@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000655562424	419414771	/nfs/dbraw/zinc/41/47/71/419414771.db2.gz	QUXUUWMYQNCRSI-YFKPBYRVSA-N	-2	3	334.126	-0.452	20	0		EBADHL
CCN(C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@H](C)C(=O)[O-]	ZINC000659771095	419862511	/nfs/dbraw/zinc/86/25/11/419862511.db2.gz	IZDVHLMRIWDIBR-SECBINFHSA-N	-2	3	346.409	-0.281	20	0		EBADHL
COc1ccc(F)cc1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1	ZINC000646041676	420535385	/nfs/dbraw/zinc/53/53/85/420535385.db2.gz	JFAJKKNUGIGNIK-UHFFFAOYSA-N	-2	3	344.324	-0.011	20	0		EBADHL
COc1ncccc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1	ZINC000344171739	420574809	/nfs/dbraw/zinc/57/48/09/420574809.db2.gz	GWKIPEQNMBGCQA-UHFFFAOYSA-N	-2	3	329.363	0.566	20	0		EBADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])cn1	ZINC000656165613	420881957	/nfs/dbraw/zinc/88/19/57/420881957.db2.gz	WWETZZZBTKULBK-MRVPVSSYSA-N	-2	3	340.354	-0.424	20	0		EBADHL
CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1nnn[n-]1	ZINC000434763078	265214780	/nfs/dbraw/zinc/21/47/80/265214780.db2.gz	JEANZHXDYRUZGY-ZETCQYMHSA-N	-2	3	328.354	-0.028	20	0		EBADHL
CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1nn[n-]n1	ZINC000434763078	265214783	/nfs/dbraw/zinc/21/47/83/265214783.db2.gz	JEANZHXDYRUZGY-ZETCQYMHSA-N	-2	3	328.354	-0.028	20	0		EBADHL
CCN(CC(=O)[O-])S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C	ZINC000275402068	546340400	/nfs/dbraw/zinc/34/04/00/546340400.db2.gz	YXVHDHAODDBKGD-UHFFFAOYSA-N	-2	3	342.333	-0.871	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(-c2nnn[n-]2)cc1	ZINC000733152307	582856330	/nfs/dbraw/zinc/85/63/30/582856330.db2.gz	JYCVJSFXSDYALA-UHFFFAOYSA-N	-2	3	341.331	-0.577	20	0		EBADHL
O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(-c2nn[n-]n2)cc1	ZINC000733152307	582856333	/nfs/dbraw/zinc/85/63/33/582856333.db2.gz	JYCVJSFXSDYALA-UHFFFAOYSA-N	-2	3	341.331	-0.577	20	0		EBADHL
CCC[C@](C)(NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000736954300	582977208	/nfs/dbraw/zinc/97/72/08/582977208.db2.gz	KSTMZLYQSQWJKP-ZDUSSCGKSA-N	-2	3	346.409	-0.234	20	0		EBADHL
CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1	ZINC000838915058	583058655	/nfs/dbraw/zinc/05/86/55/583058655.db2.gz	SSFZSSOSPDANBB-GFCCVEGCSA-N	-2	3	339.377	-0.517	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1	ZINC000741748333	583074825	/nfs/dbraw/zinc/07/48/25/583074825.db2.gz	RWRPYFQVHXNWOK-UHFFFAOYSA-N	-2	3	335.407	-0.270	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)[N-]OCc2cccnc2)cn1C	ZINC000747170192	583111141	/nfs/dbraw/zinc/11/11/41/583111141.db2.gz	QPWIZDOWFFKNSL-UHFFFAOYSA-N	-2	3	339.377	-0.350	20	0		EBADHL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000760410743	583228692	/nfs/dbraw/zinc/22/86/92/583228692.db2.gz	AILCIAFFUIPQNP-LURJTMIESA-N	-2	3	336.270	-0.794	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)OCc1nc(=O)n(C)[n-]1	ZINC000765436057	583282344	/nfs/dbraw/zinc/28/23/44/583282344.db2.gz	WUQFFKAOLKTTMT-ZETCQYMHSA-N	-2	3	346.390	-0.420	20	0		EBADHL
CCOCCO[N-]C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000772689138	583363850	/nfs/dbraw/zinc/36/38/50/583363850.db2.gz	CUELEQCCVDJPHS-UHFFFAOYSA-N	-2	3	336.142	-0.204	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774893441	583391847	/nfs/dbraw/zinc/39/18/47/583391847.db2.gz	BLQVUTJZCMRCBM-UHFFFAOYSA-N	-2	3	331.310	-0.863	20	0		EBADHL
O=C(CC[N-]S(=O)(=O)c1cccs1)OCc1n[nH]c(=O)[n-]1	ZINC000774902410	583392050	/nfs/dbraw/zinc/39/20/50/583392050.db2.gz	OMWITRJNELFBDD-UHFFFAOYSA-N	-2	3	332.363	-0.016	20	0		EBADHL
CCS(=O)(=O)[N-][C@H](CCSC)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774908830	583392062	/nfs/dbraw/zinc/39/20/62/583392062.db2.gz	QCKZLZBOIOMKEV-SSDOTTSWSA-N	-2	3	338.411	-0.386	20	0		EBADHL
COc1cc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])cnc1Cl	ZINC000776444775	583404491	/nfs/dbraw/zinc/40/44/91/583404491.db2.gz	PSVSMLHEKKNTCV-LURJTMIESA-N	-2	3	337.741	-0.650	20	0		EBADHL
COc1cc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])cnc1Cl	ZINC000776444776	583404512	/nfs/dbraw/zinc/40/45/12/583404512.db2.gz	PSVSMLHEKKNTCV-ZCFIWIBFSA-N	-2	3	337.741	-0.650	20	0		EBADHL
Cn1ncc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)n1	ZINC000804610686	583647041	/nfs/dbraw/zinc/64/70/41/583647041.db2.gz	KVQGTXXLTHODKJ-UHFFFAOYSA-N	-2	3	344.324	-0.104	20	0		EBADHL
COc1cc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)cnc1Cl	ZINC000810076764	583682195	/nfs/dbraw/zinc/68/21/95/583682195.db2.gz	MNURXLNNHGXVPQ-UHFFFAOYSA-N	-2	3	334.741	-0.059	20	0		EBADHL
COC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000821666075	583800415	/nfs/dbraw/zinc/80/04/15/583800415.db2.gz	XGULWPZCUQRUIE-YFKPBYRVSA-N	-2	3	347.303	-0.015	20	0		EBADHL
COC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000821666075	583800417	/nfs/dbraw/zinc/80/04/17/583800417.db2.gz	XGULWPZCUQRUIE-YFKPBYRVSA-N	-2	3	347.303	-0.015	20	0		EBADHL
Cn1c(=O)ccn(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])c1=O	ZINC000822596060	583813000	/nfs/dbraw/zinc/81/30/00/583813000.db2.gz	GUCKTYMRSJWCSY-UHFFFAOYSA-N	-2	3	343.303	-0.929	20	0		EBADHL
CC(C)(NS(C)(=O)=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-]	ZINC000824168029	583841883	/nfs/dbraw/zinc/84/18/83/583841883.db2.gz	WXKOWEQFAVHIHD-UHFFFAOYSA-N	-2	3	340.365	-0.161	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000824744940	583849693	/nfs/dbraw/zinc/84/96/93/583849693.db2.gz	JSLNDWYDPRMUSS-BJOHPYRUSA-N	-2	3	347.331	-0.006	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000824744940	583849694	/nfs/dbraw/zinc/84/96/94/583849694.db2.gz	JSLNDWYDPRMUSS-BJOHPYRUSA-N	-2	3	347.331	-0.006	20	0		EBADHL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000826102330	583878363	/nfs/dbraw/zinc/87/83/63/583878363.db2.gz	XIPKRISJMHDQFC-PSQXESDUSA-N	-2	3	340.336	-0.700	20	0		EBADHL
CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1=O	ZINC000826956518	583912798	/nfs/dbraw/zinc/91/27/98/583912798.db2.gz	UDVVQRSYVXZPDK-SNVBAGLBSA-N	-2	3	347.393	-0.847	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000827349083	583919344	/nfs/dbraw/zinc/91/93/44/583919344.db2.gz	GRVLIMMYPFOZPS-MRVPVSSYSA-N	-2	3	346.365	-0.041	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000827349083	583919346	/nfs/dbraw/zinc/91/93/46/583919346.db2.gz	GRVLIMMYPFOZPS-MRVPVSSYSA-N	-2	3	346.365	-0.041	20	0		EBADHL
C[C@H](CS(=O)(=O)[N-][C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)[O-]	ZINC000827550617	583923376	/nfs/dbraw/zinc/92/33/76/583923376.db2.gz	BQHBIYLXUOWYDI-PSASIEDQSA-N	-2	3	330.366	-0.835	20	0		EBADHL
C[C@H](CS(=O)(=O)[N-][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C(=O)[O-]	ZINC000827550662	583923431	/nfs/dbraw/zinc/92/34/31/583923431.db2.gz	BUANKWAWYPLCCY-YWVKMMECSA-N	-2	3	344.393	-0.446	20	0		EBADHL
CC[C@@](C)(CC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000828629003	583943666	/nfs/dbraw/zinc/94/36/66/583943666.db2.gz	YJOABMOJKBOZOR-LBPRGKRZSA-N	-2	3	332.382	-0.542	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)[O-])C(=O)OC)c(C)o1	ZINC000831028828	583975026	/nfs/dbraw/zinc/97/50/26/583975026.db2.gz	AOVFMBGTEGSBSH-MRVPVSSYSA-N	-2	3	348.333	-0.758	20	0		EBADHL
Cn1ncc2c1nc(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)[n-]c2=O	ZINC000831055026	583975429	/nfs/dbraw/zinc/97/54/29/583975429.db2.gz	NZDZAYGPYUXABO-MRVPVSSYSA-N	-2	3	337.292	-0.509	20	0		EBADHL
O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000832758095	584001700	/nfs/dbraw/zinc/00/17/00/584001700.db2.gz	WPZATMPDOMKSDJ-RYUDHWBXSA-N	-2	3	346.343	-0.372	20	0		EBADHL
Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])C2=O)n(C)n1	ZINC000832890787	584002351	/nfs/dbraw/zinc/00/23/51/584002351.db2.gz	WSQZUDHORWNXST-WCBMZHEXSA-N	-2	3	344.393	-0.526	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]2CC(=O)[O-])c1	ZINC000833057956	584003871	/nfs/dbraw/zinc/00/38/71/584003871.db2.gz	PHZFLGSSSYGTBL-VIFPVBQESA-N	-2	3	330.366	-0.836	20	0		EBADHL
NC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccccc1	ZINC000833077989	584004180	/nfs/dbraw/zinc/00/41/80/584004180.db2.gz	IJIOADTVSBUZQI-LBPRGKRZSA-N	-2	3	338.345	-0.527	20	0		EBADHL
O=C([O-])C1(NC(=O)c2ccc(O)cc2[O-])CCS(=O)(=O)CC1	ZINC000833127688	584006409	/nfs/dbraw/zinc/00/64/09/584006409.db2.gz	UXEINPBIDPWPIV-UHFFFAOYSA-N	-2	3	329.330	-0.140	20	0		EBADHL
CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])s1	ZINC000833395581	584009939	/nfs/dbraw/zinc/00/99/39/584009939.db2.gz	PCUSBVMRNCFHNQ-XPUUQOCRSA-N	-2	3	336.391	-0.331	20	0		EBADHL
CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1=O	ZINC000833501302	584011279	/nfs/dbraw/zinc/01/12/79/584011279.db2.gz	UQTNDCHBWLRSAC-ZCFIWIBFSA-N	-2	3	347.374	-0.345	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](C)CCNC(=O)[O-])cn1C	ZINC000833917337	584019608	/nfs/dbraw/zinc/01/96/08/584019608.db2.gz	XVQMNKNCKMRNRM-MRVPVSSYSA-N	-2	3	347.397	-0.831	20	0		EBADHL
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1	ZINC000834042695	584025293	/nfs/dbraw/zinc/02/52/93/584025293.db2.gz	XMZVXBUPLPRLNC-NEPJUHHUSA-N	-2	3	337.332	-0.649	20	0		EBADHL
O=C([O-])N1CC(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)C1	ZINC000834041697	584025303	/nfs/dbraw/zinc/02/53/03/584025303.db2.gz	OCUSEEWGNKWBQK-UHFFFAOYSA-N	-2	3	348.406	-0.312	20	0		EBADHL
O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)C[C@@H]21	ZINC000834173684	584027670	/nfs/dbraw/zinc/02/76/70/584027670.db2.gz	FEAWFGSGFNDYLI-LMLFDSFASA-N	-2	3	338.364	-0.131	20	0		EBADHL
O=C([O-])NC[C@H](C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccccc1	ZINC000834211556	584029454	/nfs/dbraw/zinc/02/94/54/584029454.db2.gz	XOUDSVUPAPMPPC-NWDGAFQWSA-N	-2	3	346.343	-0.200	20	0		EBADHL
O=C([O-])NCCNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000834243012	584029940	/nfs/dbraw/zinc/02/99/40/584029940.db2.gz	DVXUFOBHCAPVNK-SNVBAGLBSA-N	-2	3	335.320	-0.174	20	0		EBADHL
O=C([O-])NCCNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000834243011	584029969	/nfs/dbraw/zinc/02/99/69/584029969.db2.gz	DVXUFOBHCAPVNK-JTQLQIEISA-N	-2	3	335.320	-0.174	20	0		EBADHL
O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000834290962	584030889	/nfs/dbraw/zinc/03/08/89/584030889.db2.gz	VAXWDIMLFVDXHH-DTWKUNHWSA-N	-2	3	342.377	-0.766	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC	ZINC000846003871	584119657	/nfs/dbraw/zinc/11/96/57/584119657.db2.gz	SMEAEMOTSWBREU-UHFFFAOYSA-N	-2	3	334.350	-0.025	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]O[C@@H](CO)C(C)C	ZINC000857288116	584276817	/nfs/dbraw/zinc/27/68/17/584276817.db2.gz	VBPQVKVDRWVPQV-JTQLQIEISA-N	-2	3	335.382	-0.366	20	0		EBADHL
COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-]	ZINC000863411095	584370052	/nfs/dbraw/zinc/37/00/52/584370052.db2.gz	UFCWLIQJVHTSPE-ZCFIWIBFSA-N	-2	3	336.347	-0.360	20	0		EBADHL
CS(=O)(=O)NCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000230988495	599768429	/nfs/dbraw/zinc/76/84/29/599768429.db2.gz	JFBBWMXXSADVTK-UHFFFAOYSA-N	-2	3	326.352	-0.805	20	0		EBADHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)o1	ZINC000393657044	599772033	/nfs/dbraw/zinc/77/20/33/599772033.db2.gz	PEHORWYGZZZXJR-UHFFFAOYSA-N	-2	3	330.240	-0.065	20	0		EBADHL
Cc1n[nH]c(C(=O)NC2CCN(C(=O)c3cnc[n-]c3=O)CC2)c1[O-]	ZINC000947168205	653330089	/nfs/dbraw/zinc/33/00/89/653330089.db2.gz	SXAWLJVPASFVNU-UHFFFAOYSA-N	-2	3	346.347	-0.046	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2c(C)nc[n-]c2=O)c1[O-]	ZINC000949400691	653885943	/nfs/dbraw/zinc/88/59/43/653885943.db2.gz	KONVDARSZLHBQW-VIFPVBQESA-N	-2	3	346.347	-0.128	20	0		EBADHL
Cc1nc(C)c(CC(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c(=O)[n-]1	ZINC000957639667	722230348	/nfs/dbraw/zinc/23/03/48/722230348.db2.gz	QXBRMCRSPJRSKF-UHFFFAOYSA-N	-2	3	347.379	-0.490	20	0		EBADHL
O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1ccccc1[O-]	ZINC000957887068	722258320	/nfs/dbraw/zinc/25/83/20/722258320.db2.gz	RJRJUVJDPQAHOR-BXKDBHETSA-N	-2	3	333.348	-0.561	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@H]2C)c1[O-]	ZINC001011842203	727587280	/nfs/dbraw/zinc/58/72/80/727587280.db2.gz	HHVOWJLUVMFORI-WCBMZHEXSA-N	-2	3	346.347	-0.048	20	0		EBADHL
O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1cnc(C2CC2)[n-]c1=O	ZINC001038783239	731376443	/nfs/dbraw/zinc/37/64/43/731376443.db2.gz	ZVENRUALPCQCHI-SECBINFHSA-N	-2	3	345.363	-0.112	20	0		EBADHL
O=C(NCCN(CCO)C(=O)c1cnc[n-]c1=O)c1ncccc1[O-]	ZINC001057925841	737535954	/nfs/dbraw/zinc/53/59/54/737535954.db2.gz	UKTZRUBHQAZZGJ-UHFFFAOYSA-N	-2	3	347.331	-0.853	20	0		EBADHL
O=C(N[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2)c1cnc[n-]c1=O	ZINC000991271409	809219182	/nfs/dbraw/zinc/21/91/82/809219182.db2.gz	PLSBHGOKLOMWRN-BMIGLBTASA-N	-2	3	345.363	-0.067	20	0		EBADHL
O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc(C2CC2)[n-]c1=O	ZINC001015802654	810584815	/nfs/dbraw/zinc/58/48/15/810584815.db2.gz	CWFTYJNSJRSLTC-VIFPVBQESA-N	-2	3	345.363	-0.112	20	0		EBADHL
CCc1nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cc(=O)[n-]1	ZINC001226471162	811866328	/nfs/dbraw/zinc/86/63/28/811866328.db2.gz	BJQYPHFVGOWKIO-SNVBAGLBSA-N	-2	3	347.393	-0.288	20	0		EBADHL
COC(=O)C([N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1)=C(C)[O-]	ZINC001260179419	812829801	/nfs/dbraw/zinc/82/98/01/812829801.db2.gz	LHHWTFJFXXOPGD-ZETCQYMHSA-N	-2	3	347.740	-0.813	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001084438298	815917334	/nfs/dbraw/zinc/91/73/34/815917334.db2.gz	YTIWWSLOEIYABC-PSASIEDQSA-N	-2	3	331.336	-0.648	20	0		EBADHL
C[C@@H]1C[C@@H]1C(=O)NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1	ZINC001087254570	816481199	/nfs/dbraw/zinc/48/11/99/816481199.db2.gz	LFKHBUDGQUATLF-APPZFPTMSA-N	-2	3	333.352	-0.432	20	0		EBADHL
O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)c1cnco1	ZINC001087258861	816490086	/nfs/dbraw/zinc/49/00/86/816490086.db2.gz	GHRYXWLNTMDHSW-UHFFFAOYSA-N	-2	3	346.307	-0.786	20	0		EBADHL
CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1	ZINC001087260588	816491443	/nfs/dbraw/zinc/49/14/43/816491443.db2.gz	SSQJXIPJAHOBLV-PSASIEDQSA-N	-2	3	347.379	-0.042	20	0		EBADHL
C[C@H]1[C@H](NC(=O)c2ccc(=O)[n-]c2Cl)C(=O)N1S(=O)(=O)[O-]	ZINC001190917946	834371438	/nfs/dbraw/zinc/37/14/38/834371438.db2.gz	LPTSMZJFIDTXEW-FFWSUHOLSA-N	-2	3	335.725	-0.428	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-]CS(=O)(=O)[O-])c(F)cc1F	ZINC001195254935	835203799	/nfs/dbraw/zinc/20/37/99/835203799.db2.gz	PYYKIGQMTIIWOH-UHFFFAOYSA-N	-3	3	331.274	-0.213	20	0		EBADHL
C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001574976336	950070064	/nfs/dbraw/zinc/07/00/64/950070064.db2.gz	QNWVJXAZURBXGJ-ZETCQYMHSA-N	-2	3	346.355	-0.731	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC001594503060	955341395	/nfs/dbraw/zinc/34/13/95/955341395.db2.gz	UYLSMXCHZSAKDM-SECBINFHSA-N	-2	3	331.350	-0.355	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-]	ZINC001593880764	955705949	/nfs/dbraw/zinc/70/59/49/955705949.db2.gz	UBECLUGUBBJRIK-GFCCVEGCSA-N	-2	3	335.309	-0.274	20	0		EBADHL
COc1cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc(OC)c1[O-]	ZINC001594050559	957983335	/nfs/dbraw/zinc/98/33/35/957983335.db2.gz	NCDGNWXWYMODAU-UHFFFAOYSA-N	-2	3	338.316	-0.222	20	0		EBADHL
CC(C)(CS(C)(=O)=O)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000391475139	972340451	/nfs/dbraw/zinc/34/04/51/972340451.db2.gz	OAWZZOPQXCXUKO-UHFFFAOYSA-N	-2	3	325.368	-0.791	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)[C@@H]3CC(C(=O)[O-])=NO3)C2)n1	ZINC001594269059	959781086	/nfs/dbraw/zinc/78/10/86/959781086.db2.gz	HCGSAAGZXHIXKN-SCZZXKLOSA-N	-2	3	335.320	-0.585	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)CC2)n1	ZINC001594269482	959786840	/nfs/dbraw/zinc/78/68/40/959786840.db2.gz	QBUBDGFZBCIYQL-JTQLQIEISA-N	-2	3	335.320	-0.631	20	0		EBADHL
CSc1ncc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c(=O)[n-]1	ZINC001571173347	962069748	/nfs/dbraw/zinc/06/97/48/962069748.db2.gz	QUPDYJMBPAAZMZ-MRVPVSSYSA-N	-2	3	326.378	-0.008	20	0		EBADHL
COC(=O)[C@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCOC1	ZINC001571207891	962420424	/nfs/dbraw/zinc/42/04/24/962420424.db2.gz	GXSDOPMQZVESOB-LBPRGKRZSA-N	-2	3	333.318	-0.164	20	0		EBADHL
O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1	ZINC001571216929	962515356	/nfs/dbraw/zinc/51/53/56/962515356.db2.gz	COOYLRPUQKYIHX-ZYUZMQFOSA-N	-2	3	334.332	-0.473	20	0		EBADHL
C[C@H](CCN1CCN(C)CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001592513797	978350822	/nfs/dbraw/zinc/35/08/22/978350822.db2.gz	KDYLONLRJBHIMU-SNVBAGLBSA-N	-2	3	346.409	-0.323	20	0		EBADHL
CC[C@](COC)([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)[O-]	ZINC001595200271	979948498	/nfs/dbraw/zinc/94/84/98/979948498.db2.gz	WRQPXYYXYVLYDT-GFCCVEGCSA-N	-2	3	349.365	-0.337	20	0		EBADHL
CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001596514688	984288619	/nfs/dbraw/zinc/28/86/19/984288619.db2.gz	AFYWNDSVMGQETB-LBPRGKRZSA-N	-2	3	335.334	-0.121	20	0		EBADHL
CCOC(=O)CC1([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])COC1	ZINC001596594542	984542593	/nfs/dbraw/zinc/54/25/93/984542593.db2.gz	RZBYBEDSRPAQDO-UHFFFAOYSA-N	-2	3	333.322	-0.892	20	0		EBADHL
CC(C)(C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@]1(O)CCCOC1	ZINC001590777101	990581791	/nfs/dbraw/zinc/58/17/91/990581791.db2.gz	WDRHRSGULYBMMA-CYBMUJFWSA-N	-2	3	347.393	-0.046	20	0		EBADHL
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@]1(CC(=O)[O-])CCCOC1	ZINC001598283283	991172272	/nfs/dbraw/zinc/17/22/72/991172272.db2.gz	GPYKLPRWJTVNGU-WVDJIFEKSA-N	-2	3	343.427	-0.581	20	0		EBADHL
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccoc1C(=O)[O-]	ZINC001598284112	991179445	/nfs/dbraw/zinc/17/94/45/991179445.db2.gz	ZUMYTEHWOPZDBT-LJQANCHMSA-N	-2	3	325.368	-0.113	20	0		EBADHL
CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)CC2(C(=O)[O-])CCC2)C1=O	ZINC001591605151	992846804	/nfs/dbraw/zinc/84/68/04/992846804.db2.gz	DPYWULQDNXIPJV-VIFPVBQESA-N	-2	3	332.378	-0.303	20	0		EBADHL
CN1C(=O)C[C@@H]([N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])C1=O	ZINC001598549370	992984514	/nfs/dbraw/zinc/98/45/14/992984514.db2.gz	POTORQQCYDPFDT-SNVBAGLBSA-N	-2	3	326.330	-0.439	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)[O-])CC2)c(C)o1	ZINC001598673520	994800001	/nfs/dbraw/zinc/80/00/01/994800001.db2.gz	RLXNKJDWHJGTDK-UHFFFAOYSA-N	-2	3	345.377	-0.661	20	0		EBADHL
COC(=O)[C@H](CC(=O)[O-])NC(=O)CCc1c(C)nc(C)[n-]c1=O	ZINC001598695647	995132738	/nfs/dbraw/zinc/13/27/38/995132738.db2.gz	WHKLZEFBAUEOPT-JTQLQIEISA-N	-2	3	325.321	-0.136	20	0		EBADHL
COC(=O)[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H]1CCOC1	ZINC001598701384	995227719	/nfs/dbraw/zinc/22/77/19/995227719.db2.gz	CXEKBLYYTHBZQF-JGVFFNPUSA-N	-2	3	347.349	-0.788	20	0		EBADHL
COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC001598703822	995259582	/nfs/dbraw/zinc/25/95/82/995259582.db2.gz	JHFAMKWBBJFSNB-ONGXEEELSA-N	-2	3	330.362	-0.194	20	0		EBADHL
COC[C@](C)([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)OC	ZINC001599156566	998382416	/nfs/dbraw/zinc/38/24/16/998382416.db2.gz	MMYNDHLEQGINQC-JTQLQIEISA-N	-2	3	338.363	-0.302	20	0		EBADHL
O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1	ZINC001413772586	1130279643	/nfs/dbraw/zinc/27/96/43/1130279643.db2.gz	PCTCJKYXHFNSDK-ZETCQYMHSA-N	-2	3	337.365	-0.507	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)o1	ZINC001363308245	1131888040	/nfs/dbraw/zinc/88/80/40/1131888040.db2.gz	LRKGCMMMLKOOLA-ZETCQYMHSA-N	-2	3	326.338	-0.670	20	0		EBADHL
O=C(NC[C@@]1(O)CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1[O-]	ZINC001368261862	1134053933	/nfs/dbraw/zinc/05/39/33/1134053933.db2.gz	RONOTQRLXDFURQ-HNNXBMFYSA-N	-2	3	333.348	-0.417	20	0		EBADHL
C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000263560837	290796933	/nfs/dbraw/zinc/79/69/33/290796933.db2.gz	RJCVPYTWFDAJAD-MRVPVSSYSA-N	-2	3	336.391	-0.312	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-]	ZINC000262422433	296138602	/nfs/dbraw/zinc/13/86/02/296138602.db2.gz	NGZWGTPRZPDDDR-ZCFIWIBFSA-N	-2	3	336.753	-0.045	20	0		EBADHL
O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000044242932	376108323	/nfs/dbraw/zinc/10/83/23/376108323.db2.gz	CODWFTRTSVPLMX-SSDOTTSWSA-N	-2	3	325.140	-0.432	20	0		EBADHL
COCCCNC(=O)[N-][N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000064941014	376215842	/nfs/dbraw/zinc/21/58/42/376215842.db2.gz	MJPULGYMNVVMHQ-UHFFFAOYSA-N	-3	3	331.350	-0.086	20	0		EBADHL
Cc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000570056105	377202457	/nfs/dbraw/zinc/20/24/57/377202457.db2.gz	ODDKLRPRPCGHSG-UWVGGRQHSA-N	-2	3	333.348	-0.509	20	0		EBADHL
O=C([O-])[C@H](O)C[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000090263036	377395136	/nfs/dbraw/zinc/39/51/36/377395136.db2.gz	IVCLYRTXYRXBFF-SSDOTTSWSA-N	-2	3	325.140	-0.432	20	0		EBADHL
C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])cn21	ZINC000571505705	379194835	/nfs/dbraw/zinc/19/48/35/379194835.db2.gz	WLGHGBKOTIMFRV-HTQZYQBOSA-N	-3	3	331.350	-0.013	20	0		EBADHL
CC[C@H](C)[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000261702620	379223539	/nfs/dbraw/zinc/22/35/39/379223539.db2.gz	JITZYWKJBBCHLQ-KWQFWETISA-N	-2	3	332.382	-0.686	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)c2nnn[n-]2)cn1	ZINC000353360289	379253137	/nfs/dbraw/zinc/25/31/37/379253137.db2.gz	YGMPRPOUUYCXJO-UHFFFAOYSA-N	-2	3	325.354	-0.832	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)c2nn[n-]n2)cn1	ZINC000353360289	379253149	/nfs/dbraw/zinc/25/31/49/379253149.db2.gz	YGMPRPOUUYCXJO-UHFFFAOYSA-N	-2	3	325.354	-0.832	20	0		EBADHL
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-]	ZINC000274874285	379718595	/nfs/dbraw/zinc/71/85/95/379718595.db2.gz	BKAYBWJNSSPYLK-VIFPVBQESA-N	-2	3	335.309	-0.274	20	0		EBADHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2	ZINC000274915577	379722068	/nfs/dbraw/zinc/72/20/68/379722068.db2.gz	LOJDNLQWGOWILP-SECBINFHSA-N	-2	3	346.336	-0.176	20	0		EBADHL
COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-]	ZINC000274962588	379727012	/nfs/dbraw/zinc/72/70/12/379727012.db2.gz	VDWRWWLGNZNWIE-QMMMGPOBSA-N	-2	3	337.737	-0.150	20	0		EBADHL
COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])s1	ZINC000275022821	379731845	/nfs/dbraw/zinc/73/18/45/379731845.db2.gz	DPDDAAYELHJAHX-QMMMGPOBSA-N	-2	3	337.375	-0.423	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC000275242618	379744495	/nfs/dbraw/zinc/74/44/95/379744495.db2.gz	KNLVVPCQWOPRKA-YFKPBYRVSA-N	-2	3	325.730	-0.632	20	0		EBADHL
COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-]	ZINC000275367906	379753322	/nfs/dbraw/zinc/75/33/22/379753322.db2.gz	YFOPYZOSEROBHU-QMMMGPOBSA-N	-2	3	337.737	-0.150	20	0		EBADHL
O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)[N-]OCc1ccccc1	ZINC000278989755	379939551	/nfs/dbraw/zinc/93/95/51/379939551.db2.gz	BDFCHMKKNBHYKG-MRXNPFEDSA-N	-2	3	332.360	-0.092	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCOCC(=O)[O-]	ZINC000630261980	380023623	/nfs/dbraw/zinc/02/36/23/380023623.db2.gz	GMDUUFMIDSVGIV-QMMMGPOBSA-N	-2	3	336.391	-0.368	20	0		EBADHL
C[C@@]1(c2ccc(C(=O)NCCOCC(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000630263099	380025759	/nfs/dbraw/zinc/02/57/59/380025759.db2.gz	UVSCMEDNHLTIKZ-HNNXBMFYSA-N	-2	3	335.316	-0.428	20	0		EBADHL
Cc1ccc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000547547830	380143815	/nfs/dbraw/zinc/14/38/15/380143815.db2.gz	ASKCJWUETNOGGT-UHFFFAOYSA-N	-2	3	331.306	-0.618	20	0		EBADHL
CCn1cnc(S(=O)(=O)[N-][C@H](Cn2cc(C)cn2)C(=O)[O-])c1	ZINC000547876880	380168184	/nfs/dbraw/zinc/16/81/84/380168184.db2.gz	PVYSCOCNORKCJH-SNVBAGLBSA-N	-2	3	327.366	-0.160	20	0		EBADHL
COC(=O)Cn1cc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])cn1	ZINC000548206308	380188379	/nfs/dbraw/zinc/18/83/79/380188379.db2.gz	VHQCHQXFXNLPPA-ZETCQYMHSA-N	-2	3	341.292	-0.557	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC)C(=O)[O-]	ZINC000548214323	380189891	/nfs/dbraw/zinc/18/98/91/380189891.db2.gz	LSZKXBKISZPVHO-VIFPVBQESA-N	-2	3	335.309	-0.010	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCOCC(=O)[O-]	ZINC000548261467	380194927	/nfs/dbraw/zinc/19/49/27/380194927.db2.gz	PZGFSGNODPQTAO-UHFFFAOYSA-N	-2	3	335.309	-0.008	20	0		EBADHL
Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2cn(C)c(C)n2)C(=O)[O-])c1	ZINC000548536284	380213247	/nfs/dbraw/zinc/21/32/47/380213247.db2.gz	XXAUETRVBHUMMY-SNVBAGLBSA-N	-2	3	327.366	-0.335	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1ccc(CC(=O)OC)s1)C(=O)[O-]	ZINC000548542213	380215180	/nfs/dbraw/zinc/21/51/80/380215180.db2.gz	LJCCDIOQBBPXRE-MRVPVSSYSA-N	-2	3	337.375	-0.159	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000358943354	380240855	/nfs/dbraw/zinc/24/08/55/380240855.db2.gz	BTYQYIWOGAHYAR-ZCFIWIBFSA-N	-2	3	331.379	-0.445	20	0		EBADHL
O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCCS(=O)(=O)C1	ZINC000578353458	380923809	/nfs/dbraw/zinc/92/38/09/380923809.db2.gz	GDABCTNAIYFPGH-LURJTMIESA-N	-2	3	340.404	-0.303	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000582848900	381081478	/nfs/dbraw/zinc/08/14/78/381081478.db2.gz	QKLCJFUSFSBDNV-YFKPBYRVSA-N	-3	3	337.335	-0.692	20	0		EBADHL
CCOC(=O)[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-]	ZINC000582882674	381085073	/nfs/dbraw/zinc/08/50/73/381085073.db2.gz	MTBRMHQGAGNBNR-VIFPVBQESA-N	-2	3	335.272	-0.292	20	0		EBADHL
C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000263544278	381702864	/nfs/dbraw/zinc/70/28/64/381702864.db2.gz	FXYVUCRZTYWLDU-SECBINFHSA-N	-2	3	348.402	-0.168	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)ccc1F	ZINC000352082898	381867868	/nfs/dbraw/zinc/86/78/68/381867868.db2.gz	MQXUJKDAKDQVPF-UHFFFAOYSA-N	-2	3	344.328	-0.121	20	0		EBADHL
COC(=O)c1nscc1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1	ZINC000352877041	382054104	/nfs/dbraw/zinc/05/41/04/382054104.db2.gz	AAFZTNYFOJPTNA-UHFFFAOYSA-N	-2	3	334.335	-0.873	20	0		EBADHL
CO[C@H](CS(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1ccc(F)cc1	ZINC000629285397	382102791	/nfs/dbraw/zinc/10/27/91/382102791.db2.gz	TYWKKQIDGSDHOD-LLVKDONJSA-N	-2	3	348.352	-0.367	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NC2CCC(C(=O)[O-])CC2)c1	ZINC000261978668	154207756	/nfs/dbraw/zinc/20/77/56/154207756.db2.gz	CICFBDJRXSLQTO-UHFFFAOYSA-N	-2	3	344.393	-0.542	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000262055708	154210147	/nfs/dbraw/zinc/21/01/47/154210147.db2.gz	GFRXUUSDOGMYBB-PELKAZGASA-N	-2	3	348.402	-0.225	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000262080362	154211576	/nfs/dbraw/zinc/21/15/76/154211576.db2.gz	AVPAVKAXVTYYGF-OIBJUYFYSA-N	-2	3	345.377	-0.062	20	0		EBADHL
COCC[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000262298699	154223380	/nfs/dbraw/zinc/22/33/80/154223380.db2.gz	NCJMRDVNLNYQNW-BZNIZROVSA-N	-2	3	349.343	-0.039	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000262536588	154236562	/nfs/dbraw/zinc/23/65/62/154236562.db2.gz	UKKTZSSNQLBKIF-RKDXNWHRSA-N	-2	3	348.402	-0.273	20	0		EBADHL
C[C@@](O)(CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000262558220	154237959	/nfs/dbraw/zinc/23/79/59/154237959.db2.gz	VNUURAMDJJMQHK-CYBMUJFWSA-N	-2	3	348.352	-0.554	20	0		EBADHL
C[C@]1(c2cccc(C(=O)N[C@]3(C(=O)[O-])CCOC3)c2)NC(=O)[N-]C1=O	ZINC000262933518	154251372	/nfs/dbraw/zinc/25/13/72/154251372.db2.gz	KGENQGQWVSWARY-HZPDHXFCSA-N	-2	3	347.327	-0.285	20	0		EBADHL
C[C@](O)(C[N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-]	ZINC000263477471	154258573	/nfs/dbraw/zinc/25/85/73/154258573.db2.gz	JTBIAOJKEZBVGE-VIFPVBQESA-N	-2	3	339.167	-0.042	20	0		EBADHL
COc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1	ZINC000264892583	154298056	/nfs/dbraw/zinc/29/80/56/154298056.db2.gz	XVGQSOAFTTUWAJ-UHFFFAOYSA-N	-2	3	336.753	-0.172	20	0		EBADHL
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(C(N)=O)nc2)s1	ZINC000344370057	156221424	/nfs/dbraw/zinc/22/14/24/156221424.db2.gz	MMUDNMDTGXBRFX-UHFFFAOYSA-N	-2	3	342.362	-0.344	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)c(F)c1	ZINC000518110675	419020559	/nfs/dbraw/zinc/02/05/59/419020559.db2.gz	QFBJQARVQVKZBC-QUBYGPBYSA-N	-2	3	335.309	-0.275	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@H]2CC(=O)[O-])c1	ZINC000653320345	419190771	/nfs/dbraw/zinc/19/07/71/419190771.db2.gz	KLVVZLXPBLRMCO-JTQLQIEISA-N	-2	3	344.393	-0.446	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NC2(CC(=O)[O-])CCC2)c1	ZINC000653321960	419199746	/nfs/dbraw/zinc/19/97/46/419199746.db2.gz	FWNSZDPHJKGSMI-UHFFFAOYSA-N	-2	3	330.366	-0.788	20	0		EBADHL
CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)NS(C)(=O)=O	ZINC000111778427	419230925	/nfs/dbraw/zinc/23/09/25/419230925.db2.gz	DYLUUSAQXIZLMB-UHFFFAOYSA-N	-2	3	340.379	-0.416	20	0		EBADHL
O=C(N=c1nc(-c2cccnc2)[n-]s1)[C@H]1CCS(=O)(=O)[N-]1	ZINC000653023079	419784336	/nfs/dbraw/zinc/78/43/36/419784336.db2.gz	WYZJGNAZXKKELU-MRVPVSSYSA-N	-2	3	325.375	-0.348	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cnn(C)c2C)cn1C	ZINC000530383297	420783057	/nfs/dbraw/zinc/78/30/57/420783057.db2.gz	SDFQOOPNTORXJX-NSHDSACASA-N	-2	3	327.366	-0.125	20	0		EBADHL
COc1cccc(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])c1F	ZINC000656156693	420883117	/nfs/dbraw/zinc/88/31/17/420883117.db2.gz	QVIUMLFDYZMCBB-SSDOTTSWSA-N	-2	3	334.325	-0.169	20	0		EBADHL
COc1cccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1[O-]	ZINC000424253605	265054370	/nfs/dbraw/zinc/05/43/70/265054370.db2.gz	XSOUPDDGGJYUMQ-JTQLQIEISA-N	-2	3	329.330	-0.275	20	0		EBADHL
COc1ccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c([O-])c1	ZINC000424255820	265056224	/nfs/dbraw/zinc/05/62/24/265056224.db2.gz	ZYSUXCVFTKYYNK-NSHDSACASA-N	-2	3	329.330	-0.275	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](C(=O)[O-])C(C)C)cn1C	ZINC000428049687	265115782	/nfs/dbraw/zinc/11/57/82/265115782.db2.gz	TVPUOKCLAQFXOG-LLVKDONJSA-N	-2	3	332.382	-0.768	20	0		EBADHL
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1	ZINC000290178012	272809241	/nfs/dbraw/zinc/80/92/41/272809241.db2.gz	QMZCOMLSYRQZBL-UHFFFAOYSA-N	-2	3	345.333	-0.120	20	0		EBADHL
C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@H](C)C(=O)Nc1ncccc1[O-]	ZINC000673507788	546141474	/nfs/dbraw/zinc/14/14/74/546141474.db2.gz	CDYFRSWSDAJWGY-CIUDSAMLSA-N	-2	3	349.347	-0.535	20	0		EBADHL
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](CO)C(=O)[O-]	ZINC000738225443	582824931	/nfs/dbraw/zinc/82/49/31/582824931.db2.gz	ZIDNADJPCBHFEJ-IONNQARKSA-N	-2	3	334.325	-0.946	20	0		EBADHL
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000736968632	582978617	/nfs/dbraw/zinc/97/86/17/582978617.db2.gz	HNIABMQENKMMNB-QMMMGPOBSA-N	-2	3	325.350	-0.039	20	0		EBADHL
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000736968632	582978621	/nfs/dbraw/zinc/97/86/21/582978621.db2.gz	HNIABMQENKMMNB-QMMMGPOBSA-N	-2	3	325.350	-0.039	20	0		EBADHL
Cn1[n-]c(COC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)nc1=O	ZINC000765485858	583283593	/nfs/dbraw/zinc/28/35/93/583283593.db2.gz	BUYNMXXZWOUGCL-HNNXBMFYSA-N	-2	3	345.315	-0.480	20	0		EBADHL
COc1cc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])cnc1Cl	ZINC000767438650	583306544	/nfs/dbraw/zinc/30/65/44/583306544.db2.gz	WDJLKMHOPDQDAH-UHFFFAOYSA-N	-2	3	337.741	-0.777	20	0		EBADHL
O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1c(Cl)nc2sccn21	ZINC000776443005	583404404	/nfs/dbraw/zinc/40/44/04/583404404.db2.gz	BBTNQDYAEZXWIR-BYPYZUCNSA-N	-2	3	325.755	-0.227	20	0		EBADHL
CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC000776612910	583407103	/nfs/dbraw/zinc/40/71/03/583407103.db2.gz	DEBMYPZQASNRCK-SVRRBLITSA-N	-2	3	325.774	-0.034	20	0		EBADHL
O=C(CSc1n[n-]c(=S)s1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000778852802	583427583	/nfs/dbraw/zinc/42/75/83/583427583.db2.gz	KOGJENHZRPZCNH-YFKPBYRVSA-N	-2	3	345.431	-0.319	20	0		EBADHL
CC(=O)NCC[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000819811313	583761830	/nfs/dbraw/zinc/76/18/30/583761830.db2.gz	XZZUWGDVAJOKHR-UHFFFAOYSA-N	-2	3	346.319	-0.441	20	0		EBADHL
CC(=O)NCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000819811313	583761832	/nfs/dbraw/zinc/76/18/32/583761832.db2.gz	XZZUWGDVAJOKHR-UHFFFAOYSA-N	-2	3	346.319	-0.441	20	0		EBADHL
O=c1[n-][nH]c(=O)n1NC([O-])=CS(=O)(=O)CCCc1ccccc1	ZINC000820291390	583770921	/nfs/dbraw/zinc/77/09/21/583770921.db2.gz	GFWMLYSCAQZIOX-UHFFFAOYSA-N	-2	3	340.361	-0.193	20	0		EBADHL
COC(=O)Cc1nnc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)[n-]1	ZINC000820797549	583781200	/nfs/dbraw/zinc/78/12/00/583781200.db2.gz	TXYZYQMJROISDX-UHFFFAOYSA-N	-2	3	334.745	-0.292	20	0		EBADHL
C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000824731365	583849669	/nfs/dbraw/zinc/84/96/69/583849669.db2.gz	UZMCPNBZUZXXJW-VFZGTOFNSA-N	-2	3	347.331	-0.006	20	0		EBADHL
C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000824731365	583849671	/nfs/dbraw/zinc/84/96/71/583849671.db2.gz	UZMCPNBZUZXXJW-VFZGTOFNSA-N	-2	3	347.331	-0.006	20	0		EBADHL
C[C@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C(=O)O1	ZINC000824894298	583851890	/nfs/dbraw/zinc/85/18/90/583851890.db2.gz	XQZOKJGWIOSXLZ-GZMMTYOYSA-N	-2	3	337.361	-0.010	20	0		EBADHL
CCS(=O)(=O)[N-]c1nc(C)nn1-c1ccc(-c2nnn[n-]2)cc1	ZINC000825669421	583865452	/nfs/dbraw/zinc/86/54/52/583865452.db2.gz	XOZOKNGXVTWCCG-UHFFFAOYSA-N	-2	3	334.365	-0.061	20	0		EBADHL
CCS(=O)(=O)[N-]c1nc(C)nn1-c1ccc(-c2nn[n-]n2)cc1	ZINC000825669421	583865454	/nfs/dbraw/zinc/86/54/54/583865454.db2.gz	XOZOKNGXVTWCCG-UHFFFAOYSA-N	-2	3	334.365	-0.061	20	0		EBADHL
C[C@H](C(=O)NCC(=O)[O-])N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000826000444	583873358	/nfs/dbraw/zinc/87/33/58/583873358.db2.gz	PFRQTGQWADDLBS-LLVKDONJSA-N	-2	3	335.360	-0.261	20	0		EBADHL
COC[C@@](C)(NC(=O)COc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-]	ZINC000826148692	583883437	/nfs/dbraw/zinc/88/34/37/583883437.db2.gz	OMOHTZLUXAVXKJ-CQSZACIVSA-N	-2	3	335.320	-0.149	20	0		EBADHL
COC[C@@](C)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-]	ZINC000826148692	583883439	/nfs/dbraw/zinc/88/34/39/583883439.db2.gz	OMOHTZLUXAVXKJ-CQSZACIVSA-N	-2	3	335.320	-0.149	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826450004	583902665	/nfs/dbraw/zinc/90/26/65/583902665.db2.gz	SKDKXVYZSLRMKC-SSDOTTSWSA-N	-2	3	326.338	-0.709	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826450004	583902667	/nfs/dbraw/zinc/90/26/67/583902667.db2.gz	SKDKXVYZSLRMKC-SSDOTTSWSA-N	-2	3	326.338	-0.709	20	0		EBADHL
O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000826472487	583903616	/nfs/dbraw/zinc/90/36/16/583903616.db2.gz	LUHCRRGTTYXKAH-SECBINFHSA-N	-2	3	326.324	-0.205	20	0		EBADHL
O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000826472487	583903617	/nfs/dbraw/zinc/90/36/17/583903617.db2.gz	LUHCRRGTTYXKAH-SECBINFHSA-N	-2	3	326.324	-0.205	20	0		EBADHL
O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000826472487	583903619	/nfs/dbraw/zinc/90/36/19/583903619.db2.gz	LUHCRRGTTYXKAH-SECBINFHSA-N	-2	3	326.324	-0.205	20	0		EBADHL
O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000826472487	583903620	/nfs/dbraw/zinc/90/36/20/583903620.db2.gz	LUHCRRGTTYXKAH-SECBINFHSA-N	-2	3	326.324	-0.205	20	0		EBADHL
O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cccc2nonc21	ZINC000826492605	583906077	/nfs/dbraw/zinc/90/60/77/583906077.db2.gz	TYGUGFQKZLIEJK-UHFFFAOYSA-N	-2	3	333.293	-0.073	20	0		EBADHL
C[C@@H](CN(C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C1CC1)C(=O)[O-]	ZINC000827433015	583921351	/nfs/dbraw/zinc/92/13/51/583921351.db2.gz	SSUDVOXZUSPYLD-VIFPVBQESA-N	-2	3	344.393	-0.590	20	0		EBADHL
CCc1cc(=O)[n-]c(CN(C)CC(=O)N2CCN(C(=O)[O-])CC2)n1	ZINC000827571074	583924123	/nfs/dbraw/zinc/92/41/23/583924123.db2.gz	WBNUHSQYUCSZAG-UHFFFAOYSA-N	-2	3	337.380	-0.001	20	0		EBADHL
C[C@@H]1C[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])C(=O)N1c1cnn(C)c1	ZINC000828183823	583935466	/nfs/dbraw/zinc/93/54/66/583935466.db2.gz	KSHMIFMRLASQFO-KOLCDFICSA-N	-2	3	344.393	-0.302	20	0		EBADHL
CC[C@@](C)(CC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000828628944	583943677	/nfs/dbraw/zinc/94/36/77/583943677.db2.gz	WDDZHJCHSRUORO-ZDUSSCGKSA-N	-2	3	346.409	-0.234	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])n1	ZINC000828699726	583945637	/nfs/dbraw/zinc/94/56/37/583945637.db2.gz	KCYBDWHRTGEMEN-IMTBSYHQSA-N	-2	3	341.324	-0.038	20	0		EBADHL
COC(=O)Cc1nnc(NC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])[n-]1	ZINC000828699726	583945638	/nfs/dbraw/zinc/94/56/38/583945638.db2.gz	KCYBDWHRTGEMEN-IMTBSYHQSA-N	-2	3	341.324	-0.038	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])n[n-]1	ZINC000828699726	583945639	/nfs/dbraw/zinc/94/56/39/583945639.db2.gz	KCYBDWHRTGEMEN-IMTBSYHQSA-N	-2	3	341.324	-0.038	20	0		EBADHL
CSCC[C@H](NC(=O)[O-])C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000829732178	583957691	/nfs/dbraw/zinc/95/76/91/583957691.db2.gz	UDYZAVKZQIKROA-YUMQZZPRSA-N	-2	3	330.366	-0.862	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)OC	ZINC000831133661	583977005	/nfs/dbraw/zinc/97/70/05/583977005.db2.gz	HMIBHWJZXULPOV-QMMMGPOBSA-N	-2	3	349.317	-0.331	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)OCc2ccoc2C(=O)[O-])c1	ZINC000833057887	584003765	/nfs/dbraw/zinc/00/37/65/584003765.db2.gz	NPNBNAIXSMFJAQ-UHFFFAOYSA-N	-2	3	343.317	-0.267	20	0		EBADHL
NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)O1	ZINC000833082637	584004803	/nfs/dbraw/zinc/00/48/03/584004803.db2.gz	PJMNOZSXGHTRLZ-SCZZXKLOSA-N	-2	3	346.336	-0.165	20	0		EBADHL
NC(=O)NC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000833084304	584005161	/nfs/dbraw/zinc/00/51/61/584005161.db2.gz	YKMJNTVZQHNBJD-UHFFFAOYSA-N	-2	3	333.297	-0.613	20	0		EBADHL
O=C([O-])c1sccc1NC(=O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000833108147	584005848	/nfs/dbraw/zinc/00/58/48/584005848.db2.gz	LJLCYUHFQSMSHR-QMMMGPOBSA-N	-2	3	338.345	-0.379	20	0		EBADHL
O=C([O-])c1sccc1NC(=O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000833108146	584005861	/nfs/dbraw/zinc/00/58/61/584005861.db2.gz	LJLCYUHFQSMSHR-MRVPVSSYSA-N	-2	3	338.345	-0.379	20	0		EBADHL
O=C([O-])Nc1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)cc1[O-]	ZINC000833282872	584008455	/nfs/dbraw/zinc/00/84/55/584008455.db2.gz	XILNXSPUAPSHAF-UHFFFAOYSA-N	-2	3	337.288	-0.403	20	0		EBADHL
NC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)o1	ZINC000833762028	584016022	/nfs/dbraw/zinc/01/60/22/584016022.db2.gz	AEDUFPWTTZOJGI-UHFFFAOYSA-N	-2	3	325.302	-0.050	20	0		EBADHL
O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)C[C@@H]21	ZINC000834173686	584027681	/nfs/dbraw/zinc/02/76/81/584027681.db2.gz	FEAWFGSGFNDYLI-YTWAJWBKSA-N	-2	3	338.364	-0.131	20	0		EBADHL
C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1	ZINC000844241423	584092124	/nfs/dbraw/zinc/09/21/24/584092124.db2.gz	CNBADHXKTKHGFO-LLVKDONJSA-N	-2	3	349.391	-0.557	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F	ZINC000846003548	584119430	/nfs/dbraw/zinc/11/94/30/584119430.db2.gz	XWFOWVNGLXXMOP-UHFFFAOYSA-N	-2	3	333.297	-0.394	20	0		EBADHL
CC(=O)C[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-]	ZINC000863408974	584369733	/nfs/dbraw/zinc/36/97/33/584369733.db2.gz	VWAXZGSTGRQLPU-ZETCQYMHSA-N	-2	3	335.363	-0.188	20	0		EBADHL
CN(CC(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12)C(=O)[O-]	ZINC000739623688	602326119	/nfs/dbraw/zinc/32/61/19/602326119.db2.gz	JDMZCCAMHOPSCJ-UHFFFAOYSA-N	-2	3	349.303	-0.295	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000940047740	653076680	/nfs/dbraw/zinc/07/66/80/653076680.db2.gz	PHMRJWFJZNAMJH-MRVPVSSYSA-N	-2	3	332.320	-0.436	20	0		EBADHL
CCN(C(=O)c1ncccc1[O-])C1CN(Cc2nc(=O)n(C)[n-]2)C1	ZINC000949948675	654007884	/nfs/dbraw/zinc/00/78/84/654007884.db2.gz	UCIUGCBRADGBSJ-UHFFFAOYSA-N	-2	3	332.364	-0.445	20	0		EBADHL
CN(C(=O)c1cnc[n-]c1=O)C1CN(C(=O)c2ncccc2[O-])C1	ZINC000954578907	719785769	/nfs/dbraw/zinc/78/57/69/719785769.db2.gz	BWEKYIXWKYVFEW-UHFFFAOYSA-N	-2	3	329.316	-0.121	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3c(C)nc[n-]c3=O)C2)c1[O-]	ZINC000973178974	725659142	/nfs/dbraw/zinc/65/91/42/725659142.db2.gz	SBURRWSRUNNDPQ-KYZUINATSA-N	-2	3	346.347	-0.081	20	0		EBADHL
Cn1[n-]c(CN2C[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)nc1=O	ZINC000974489487	726031802	/nfs/dbraw/zinc/03/18/02/726031802.db2.gz	LSMXJOSFFRBWPZ-LLVKDONJSA-N	-2	3	346.391	-0.151	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)c1[O-]	ZINC000994882580	726108917	/nfs/dbraw/zinc/10/89/17/726108917.db2.gz	VZSYBZLHPBFAQQ-RKDXNWHRSA-N	-2	3	335.368	-0.064	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001001070053	726590873	/nfs/dbraw/zinc/59/08/73/726590873.db2.gz	OWBQUKFWXNJKQL-UHFFFAOYSA-N	-2	3	345.363	-0.124	20	0		EBADHL
Cn1[n-]c(CN2CCC(CNC(=O)c3ncccc3[O-])CC2)nc1=O	ZINC001001335580	726602937	/nfs/dbraw/zinc/60/29/37/726602937.db2.gz	YGOYTHLNSIDBKD-UHFFFAOYSA-N	-2	3	346.391	-0.149	20	0		EBADHL
O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc(=O)[n-]c(C2CC2)n1	ZINC001014856026	728019823	/nfs/dbraw/zinc/01/98/23/728019823.db2.gz	LIFNBSJSOWQUAJ-VIFPVBQESA-N	-2	3	345.363	-0.112	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-]	ZINC001028485109	730298971	/nfs/dbraw/zinc/29/89/71/730298971.db2.gz	KTLQLIKLWGREFH-VIFPVBQESA-N	-2	3	335.368	-0.903	20	0		EBADHL
O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc(C2CC2)[n-]c1=O	ZINC001031061066	730669905	/nfs/dbraw/zinc/66/99/05/730669905.db2.gz	QQSOQXZCLYLVSH-UHFFFAOYSA-N	-2	3	331.336	-0.503	20	0		EBADHL
O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc(C2CC2)[n-]c1=O	ZINC001032033949	730805468	/nfs/dbraw/zinc/80/54/68/730805468.db2.gz	MXKZQFRXVSXFGR-UHFFFAOYSA-N	-2	3	345.363	-0.255	20	0		EBADHL
O=C(N[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1)c1cnc[n-]c1=O	ZINC001034265306	731115872	/nfs/dbraw/zinc/11/58/72/731115872.db2.gz	OILDLEOXXRSIDW-SECBINFHSA-N	-2	3	333.352	-0.210	20	0		EBADHL
Cc1[nH]nc(C(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)c1[O-]	ZINC001048770823	734501525	/nfs/dbraw/zinc/50/15/25/734501525.db2.gz	LIHXCIPUXWVDCP-AOOOYVTPSA-N	-2	3	347.379	-0.950	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001076157883	742391839	/nfs/dbraw/zinc/39/18/39/742391839.db2.gz	MZNJBLOLCDHVRE-VHSXEESVSA-N	-2	3	345.363	-0.339	20	0		EBADHL
Cn1[n-]c(CN2C[C@@H]3[C@@H](CNC(=O)c4ncccc4[O-])[C@@H]3C2)nc1=O	ZINC000978060673	804638567	/nfs/dbraw/zinc/63/85/67/804638567.db2.gz	INUNSJQUINZGGT-RTCCRHLQSA-N	-2	3	344.375	-0.683	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)c1[O-]	ZINC001036986161	811325752	/nfs/dbraw/zinc/32/57/52/811325752.db2.gz	RNJZWHMNFCIONS-IUCAKERBSA-N	-2	3	335.368	-0.064	20	0		EBADHL
C=CS(=O)(=O)CC(CS(=O)(=O)C=C)OCCP(=O)([O-])[O-]	ZINC001224607756	811767623	/nfs/dbraw/zinc/76/76/23/811767623.db2.gz	VDQPOUYBENZRCS-UHFFFAOYSA-N	-2	3	348.335	-0.334	20	0		EBADHL
O=C([O-])C[C@@H](C(=O)Oc1nc2ncnc-2c([S-])[n-]1)[C@H](O)C(=O)[O-]	ZINC001226785087	811884156	/nfs/dbraw/zinc/88/41/56/811884156.db2.gz	JMWVUJKUNTYTLW-CVYQJGLWSA-N	-4	3	342.289	-0.917	20	0		EBADHL
COC(=O)C(NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)=C(C)[O-]	ZINC001260403115	812832484	/nfs/dbraw/zinc/83/24/84/812832484.db2.gz	DSYLIWOCBHXEOC-SNVBAGLBSA-N	-2	3	331.302	-0.501	20	0		EBADHL
COc1ccc(S(=O)(=O)Nc2c([O-])[nH]c(=O)[n-]c2=S)cc1F	ZINC001260665127	812845704	/nfs/dbraw/zinc/84/57/04/812845704.db2.gz	HBWRLBKRGLBMLX-QMMMGPOBSA-N	-2	3	347.349	-0.352	20	0		EBADHL
CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)c1ncccc1[O-]	ZINC001085562478	816073210	/nfs/dbraw/zinc/07/32/10/816073210.db2.gz	MJTLPSXNHOCAGI-JTQLQIEISA-N	-2	3	332.364	-0.445	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001085778953	816144100	/nfs/dbraw/zinc/14/41/00/816144100.db2.gz	KRZQPBCYXSLVOK-VIFPVBQESA-N	-2	3	333.352	-0.339	20	0		EBADHL
CC1CC(C(=O)NCc2nc(CNCc3n[nH]c(=O)[n-]3)cc(=O)[n-]2)C1	ZINC001087256563	816485958	/nfs/dbraw/zinc/48/59/58/816485958.db2.gz	ZCFIZDSKVUZAQK-UHFFFAOYSA-N	-2	3	347.379	-0.042	20	0		EBADHL
O=C1[N-]C(=O)[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)S1	ZINC001185613006	833363025	/nfs/dbraw/zinc/36/30/25/833363025.db2.gz	FHHXZGPXDRELAQ-VIFPVBQESA-N	-2	3	340.346	-0.546	20	0		EBADHL
O=C1[N-]C(=O)[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)S1	ZINC001185613006	833363027	/nfs/dbraw/zinc/36/30/27/833363027.db2.gz	FHHXZGPXDRELAQ-VIFPVBQESA-N	-2	3	340.346	-0.546	20	0		EBADHL
O=P([O-])([O-])OCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC001185621342	833363614	/nfs/dbraw/zinc/36/36/14/833363614.db2.gz	WOPQISBRIOZVMM-UHFFFAOYSA-N	-3	3	349.265	-0.746	20	0		EBADHL
O=P([O-])([O-])OCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC001185621342	833363616	/nfs/dbraw/zinc/36/36/16/833363616.db2.gz	WOPQISBRIOZVMM-UHFFFAOYSA-N	-3	3	349.265	-0.746	20	0		EBADHL
CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NCCCCP(=O)([O-])[O-]	ZINC001186726870	833423858	/nfs/dbraw/zinc/42/38/58/833423858.db2.gz	QUHAQBSNJMHBNI-RKDXNWHRSA-N	-2	3	338.297	-0.483	20	0		EBADHL
CO[N-]C(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC001157835406	831596226	/nfs/dbraw/zinc/59/62/26/831596226.db2.gz	HYBDBKYHTGUFIP-UHFFFAOYSA-N	-2	3	341.798	-0.526	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-]CCOCCO)c(F)cc1F	ZINC001195186213	835195674	/nfs/dbraw/zinc/19/56/74/835195674.db2.gz	HCTNPCAUILPQFX-UHFFFAOYSA-N	-2	3	325.289	-0.050	20	0		EBADHL
O=C([N-]OC[C@@H]1CCOC1)C(=O)NCc1nc(C(F)(F)F)n[n-]1	ZINC001324032850	839583286	/nfs/dbraw/zinc/58/32/86/839583286.db2.gz	CHNKBBGLTBOSGW-ZCFIWIBFSA-N	-2	3	337.258	-0.476	20	0		EBADHL
Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c(C(N)=O)n1	ZINC001570927651	948715602	/nfs/dbraw/zinc/71/56/02/948715602.db2.gz	WFUDOEAWTWKLJJ-UHFFFAOYSA-N	-2	3	328.292	-0.343	20	0		EBADHL
C[C@@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nnn[n-]2)nn1	ZINC001575068041	951629744	/nfs/dbraw/zinc/62/97/44/951629744.db2.gz	WCWPJWRAXUYZAR-QMMMGPOBSA-N	-2	3	341.335	-0.012	20	0		EBADHL
C[C@@H](CNC(=O)c1ncccc1[O-])Nc1ccc(-c2nn[n-]n2)nn1	ZINC001575068041	951629749	/nfs/dbraw/zinc/62/97/49/951629749.db2.gz	WCWPJWRAXUYZAR-QMMMGPOBSA-N	-2	3	341.335	-0.012	20	0		EBADHL
CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)C(=O)[O-])n1	ZINC001602904731	971842254	/nfs/dbraw/zinc/84/22/54/971842254.db2.gz	BJLSOEBDACVPOA-UHFFFAOYSA-N	-2	3	326.309	-0.092	20	0		EBADHL
Cc1cc(CS(=O)(=O)[N-][C@H]2CCCCN(CC(=O)[O-])C2=O)on1	ZINC001594306428	957971699	/nfs/dbraw/zinc/97/16/99/957971699.db2.gz	IRDZBVIZUCQXPM-NSHDSACASA-N	-2	3	345.377	-0.132	20	0		EBADHL
COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000314225342	963728672	/nfs/dbraw/zinc/72/86/72/963728672.db2.gz	MWFACYGWSMDBEL-ZCFIWIBFSA-N	-2	3	339.272	-0.525	20	0		EBADHL
CO[C@H](C(=O)[O-])C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-]	ZINC001604423944	973204645	/nfs/dbraw/zinc/20/46/45/973204645.db2.gz	KVJHXJBJJNRNCB-MRTMQBJTSA-N	-2	3	325.321	-0.034	20	0		EBADHL
Cc1nc(CS(=O)(=O)[N-][C@@H]2CCCCN(CC(=O)[O-])C2=O)no1	ZINC001605408451	973405636	/nfs/dbraw/zinc/40/56/36/973405636.db2.gz	SZYDFGJKOOKUEH-SECBINFHSA-N	-2	3	346.365	-0.737	20	0		EBADHL
CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1occc1C(=O)[O-]	ZINC001591661843	975410194	/nfs/dbraw/zinc/41/01/94/975410194.db2.gz	YEMFWFAERBOFRI-UHFFFAOYSA-N	-2	3	340.379	-0.416	20	0		EBADHL
CS(=O)(=O)NC1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC001599757813	992078481	/nfs/dbraw/zinc/07/84/81/992078481.db2.gz	MUNQGSVGCOCJJO-UHFFFAOYSA-N	-2	3	338.363	-0.664	20	0		EBADHL
CN1C[C@@H](CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1=O	ZINC001598567339	993159705	/nfs/dbraw/zinc/15/97/05/993159705.db2.gz	RLJTWGOAXFUFLJ-ZETCQYMHSA-N	-2	3	333.391	-0.012	20	0		EBADHL
CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC001598614547	993853748	/nfs/dbraw/zinc/85/37/48/993853748.db2.gz	PDDRKRZYRSOQHH-MRVPVSSYSA-N	-2	3	334.423	-0.635	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])ccc1F	ZINC001598674798	994823126	/nfs/dbraw/zinc/82/31/26/994823126.db2.gz	XTVGLPZDZHBXSB-KOLCDFICSA-N	-2	3	346.336	-0.294	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1(S(C)(=O)=O)CC1	ZINC001593325638	994866305	/nfs/dbraw/zinc/86/63/05/994866305.db2.gz	JUTOMDJRGAEQQX-ZCFIWIBFSA-N	-2	3	337.379	-0.648	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H](C)N1CCOCC1	ZINC001593325786	994869039	/nfs/dbraw/zinc/86/90/39/994869039.db2.gz	LPKPWBQSFJWXCN-BDAKNGLRSA-N	-2	3	332.382	-0.505	20	0		EBADHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	ZINC001598857300	996648621	/nfs/dbraw/zinc/64/86/21/996648621.db2.gz	FWKCQFIOIYKSJK-MRVPVSSYSA-N	-2	3	342.395	-0.511	20	0		EBADHL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCSC1	ZINC001598911653	997380777	/nfs/dbraw/zinc/38/07/77/997380777.db2.gz	IMHURZCAAWOPJL-LLVKDONJSA-N	-2	3	349.390	-0.257	20	0		EBADHL
CO[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@](C)(C(=O)[O-])C1	ZINC001599129615	997917807	/nfs/dbraw/zinc/91/78/07/997917807.db2.gz	IASCIWNUNGTVNL-OTYXRUKQSA-N	-2	3	332.320	-0.034	20	0		EBADHL
CO[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@](C)(C(=O)[O-])C1	ZINC001599129615	997917815	/nfs/dbraw/zinc/91/78/15/997917815.db2.gz	IASCIWNUNGTVNL-OTYXRUKQSA-N	-2	3	332.320	-0.034	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)o1	ZINC001363308233	1131888503	/nfs/dbraw/zinc/88/85/03/1131888503.db2.gz	LRKGCMMMLKOOLA-SSDOTTSWSA-N	-2	3	326.338	-0.670	20	0		EBADHL
Cc1nc[n-]c(=O)c1CCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001366930612	1133371103	/nfs/dbraw/zinc/37/11/03/1133371103.db2.gz	INFIILURFMWCNQ-UHFFFAOYSA-N	-2	3	333.352	-0.752	20	0		EBADHL
CC(C)(CNC(=O)c1cc(=O)[n-]cn1)CNC(=O)c1cc(=O)[n-]cn1	ZINC000625449826	376222390	/nfs/dbraw/zinc/22/23/90/376222390.db2.gz	ISJZKWNBBAUHPR-UHFFFAOYSA-N	-2	3	346.347	-0.136	20	0		EBADHL
CCOc1ccncc1S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-]	ZINC000565054445	376886897	/nfs/dbraw/zinc/88/68/97/376886897.db2.gz	LBJXLEYYMVNWOD-QMMMGPOBSA-N	-2	3	331.350	-0.523	20	0		EBADHL
CCC[C@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1nnn[n-]1	ZINC000270053240	379430868	/nfs/dbraw/zinc/43/08/68/379430868.db2.gz	CSTOBJNGUZORIC-QMMMGPOBSA-N	-2	3	328.354	-0.028	20	0		EBADHL
CCC[C@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1nn[n-]n1	ZINC000270053240	379430875	/nfs/dbraw/zinc/43/08/75/379430875.db2.gz	CSTOBJNGUZORIC-QMMMGPOBSA-N	-2	3	328.354	-0.028	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c1	ZINC000274899521	379723411	/nfs/dbraw/zinc/72/34/11/379723411.db2.gz	HWDHCECHFZFZQG-MRVPVSSYSA-N	-2	3	348.308	-0.781	20	0		EBADHL
COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c1	ZINC000274961078	379727023	/nfs/dbraw/zinc/72/70/23/379727023.db2.gz	VBNSACXPDXHOQJ-MRVPVSSYSA-N	-2	3	336.753	-0.045	20	0		EBADHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC000275353232	379753131	/nfs/dbraw/zinc/75/31/31/379753131.db2.gz	WPUTZTDCTCALEB-ZCFIWIBFSA-N	-2	3	339.757	-0.242	20	0		EBADHL
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C/C=C/C(=O)[O-]	ZINC000278747940	379932265	/nfs/dbraw/zinc/93/22/65/379932265.db2.gz	QWIZVRGPPDHZAO-VMPITWQZSA-N	-2	3	348.402	-0.144	20	0		EBADHL
CO[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC000547567688	380145178	/nfs/dbraw/zinc/14/51/78/380145178.db2.gz	CCDSFGCEXLNKHP-VIFPVBQESA-N	-2	3	329.290	-0.156	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1	ZINC000564329519	380161507	/nfs/dbraw/zinc/16/15/07/380161507.db2.gz	WDFFTICCFMXELK-JTQLQIEISA-N	-2	3	327.362	-0.074	20	0		EBADHL
NC(=O)C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-]	ZINC000287176358	380338655	/nfs/dbraw/zinc/33/86/55/380338655.db2.gz	JURYFLCAOWWYPF-YFKPBYRVSA-N	-2	3	341.267	-0.293	20	0		EBADHL
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H]([N-]S(=O)(=O)c2ccn(C)n2)C1=O	ZINC000577221244	380812084	/nfs/dbraw/zinc/81/20/84/380812084.db2.gz	JQECBCWAAFBDKQ-KOLCDFICSA-N	-2	3	344.393	-0.592	20	0		EBADHL
CCOc1ccncc1S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-]	ZINC000577955894	380863911	/nfs/dbraw/zinc/86/39/11/380863911.db2.gz	LBJXLEYYMVNWOD-MRVPVSSYSA-N	-2	3	331.350	-0.523	20	0		EBADHL
C[C@](O)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)[O-]	ZINC000577751723	380841216	/nfs/dbraw/zinc/84/12/16/380841216.db2.gz	QFEDULFFTSXBMB-ZBEGNZNMSA-N	-2	3	336.344	-0.051	20	0		EBADHL
CO[C@H](C)CS(=O)(=O)[N-][C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000417443770	380890870	/nfs/dbraw/zinc/89/08/70/380890870.db2.gz	AYEWQKYHUCBVLI-VWYCJHECSA-N	-2	3	336.410	-0.349	20	0		EBADHL
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H]([N-]S(=O)(=O)c2cn(C)cn2)C1=O	ZINC000417444714	380893006	/nfs/dbraw/zinc/89/30/06/380893006.db2.gz	DLGOMYVWIBUZPM-KOLCDFICSA-N	-2	3	344.393	-0.592	20	0		EBADHL
CC(C)[C@H](C(=O)[O-])N1CC[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C1=O	ZINC000417444022	380895625	/nfs/dbraw/zinc/89/56/25/380895625.db2.gz	BRIRGXJMUYMSIV-PSASIEDQSA-N	-2	3	330.366	-0.602	20	0		EBADHL
CCOC(=O)[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-]	ZINC000582882673	381083829	/nfs/dbraw/zinc/08/38/29/381083829.db2.gz	MTBRMHQGAGNBNR-SECBINFHSA-N	-2	3	335.272	-0.292	20	0		EBADHL
Cn1nnc(C[N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1	ZINC000398066263	381122799	/nfs/dbraw/zinc/12/27/99/381122799.db2.gz	HQIDLHDZRSQZAO-UHFFFAOYSA-N	-2	3	325.350	-0.294	20	0		EBADHL
Cn1[n-]c(C(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1=O	ZINC000612737625	381859075	/nfs/dbraw/zinc/85/90/75/381859075.db2.gz	HHQOZEXTAKUDHK-UHFFFAOYSA-N	-2	3	330.391	-0.105	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])NC1(c2nn[n-]n2)CCCC1	ZINC000352544131	381998900	/nfs/dbraw/zinc/99/89/00/381998900.db2.gz	OAHNZOKOGAIDAB-UHFFFAOYSA-N	-2	3	331.336	-0.384	20	0		EBADHL
COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c(Cl)c1	ZINC000275269174	292016364	/nfs/dbraw/zinc/01/63/64/292016364.db2.gz	NAMMKCNTJNSNEK-QMMMGPOBSA-N	-2	3	337.737	-0.150	20	0		EBADHL
O=C([O-])[C@]1(NC(=O)C[N-]S(=O)(=O)c2cccs2)CCOC1	ZINC000262244395	154220173	/nfs/dbraw/zinc/22/01/73/154220173.db2.gz	WYSJPQSHNKISCB-NSHDSACASA-N	-2	3	334.375	-0.614	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)s1	ZINC000262248221	154220234	/nfs/dbraw/zinc/22/02/34/154220234.db2.gz	BJTPEGBPWIFWGQ-DTWKUNHWSA-N	-2	3	348.402	-0.095	20	0		EBADHL
COCC[C@@H](NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000262298696	154223301	/nfs/dbraw/zinc/22/33/01/154223301.db2.gz	NCJMRDVNLNYQNW-BDJLRTHQSA-N	-2	3	349.343	-0.039	20	0		EBADHL
C[C@@]1(c2ccc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2)NC(=O)[N-]C1=O	ZINC000262557805	154237886	/nfs/dbraw/zinc/23/78/86/154237886.db2.gz	XFQLOPZFMUWJSY-ZBEGNZNMSA-N	-2	3	347.327	-0.333	20	0		EBADHL
CC(C)C[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000262615508	154239315	/nfs/dbraw/zinc/23/93/15/154239315.db2.gz	BNJTYRWHUJJSMG-VIFPVBQESA-N	-2	3	332.382	-0.686	20	0		EBADHL
CC(C)[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000262843594	154248713	/nfs/dbraw/zinc/24/87/13/154248713.db2.gz	DPJRAAVODNZBDE-MRVPVSSYSA-N	-2	3	348.153	-0.063	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N(C)C[C@H](C)C(=O)[O-])cn1C	ZINC000263252584	154256110	/nfs/dbraw/zinc/25/61/10/154256110.db2.gz	TTYYYWOACZJARD-VIFPVBQESA-N	-2	3	346.409	-0.424	20	0		EBADHL
COC[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-]	ZINC000263494752	154259308	/nfs/dbraw/zinc/25/93/08/154259308.db2.gz	XOJSBWPVYDQDEA-LLVKDONJSA-N	-2	3	335.316	-0.704	20	0		EBADHL
COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274893331	154626290	/nfs/dbraw/zinc/62/62/90/154626290.db2.gz	GKMLLRKHOKLXNM-LURJTMIESA-N	-3	3	337.331	-0.259	20	0		EBADHL
COC(=O)CCS(=O)(=O)[N-]c1c(C(=O)OC)c[n-]c1C(=O)OC	ZINC000290505455	155004624	/nfs/dbraw/zinc/00/46/24/155004624.db2.gz	LDSUGHWRLLAFJD-UHFFFAOYSA-N	-2	3	348.333	-0.107	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c(F)cc1C	ZINC000296871169	155080174	/nfs/dbraw/zinc/08/01/74/155080174.db2.gz	HAPZWAOOBMSECO-VIFPVBQESA-N	-2	3	335.309	-0.355	20	0		EBADHL
COC(=O)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC000343011191	156082823	/nfs/dbraw/zinc/08/28/23/156082823.db2.gz	XQPHTELMGLRPBF-UHFFFAOYSA-N	-2	3	340.354	-0.352	20	0		EBADHL
CS(=O)(=O)c1nc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n[n-]1	ZINC000355692954	157019623	/nfs/dbraw/zinc/01/96/23/157019623.db2.gz	RNWWSCIXUXPGNK-UHFFFAOYSA-N	-2	3	335.301	-0.656	20	0		EBADHL
CS(=O)(=O)c1nnc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[n-]1	ZINC000355692954	157019628	/nfs/dbraw/zinc/01/96/28/157019628.db2.gz	RNWWSCIXUXPGNK-UHFFFAOYSA-N	-2	3	335.301	-0.656	20	0		EBADHL
CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n1	ZINC000355692954	157019631	/nfs/dbraw/zinc/01/96/31/157019631.db2.gz	RNWWSCIXUXPGNK-UHFFFAOYSA-N	-2	3	335.301	-0.656	20	0		EBADHL
CC(C)[C@H](CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000655568065	419430752	/nfs/dbraw/zinc/43/07/52/419430752.db2.gz	ZDLJNICRSKCPHE-VIFPVBQESA-N	-2	3	332.382	-0.829	20	0		EBADHL
CN(C)c1nc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc(=O)[n-]1	ZINC000521446463	419728809	/nfs/dbraw/zinc/72/88/09/419728809.db2.gz	BINUYYBSRYCTIM-SECBINFHSA-N	-2	3	332.368	-0.233	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N(CC(=O)[O-])CC(C)(C)C)c1	ZINC000659782571	419968753	/nfs/dbraw/zinc/96/87/53/419968753.db2.gz	WRDMCQYRQQMZHA-UHFFFAOYSA-N	-2	3	346.409	-0.342	20	0		EBADHL
C[C@@H]1CCc2onc(C(=O)[N-]c3n[n-]c(S(C)(=O)=O)n3)c2C1	ZINC000434511202	420603125	/nfs/dbraw/zinc/60/31/25/420603125.db2.gz	BYLMQYCTLOWODE-ZCFIWIBFSA-N	-2	3	325.350	0.573	20	0		EBADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000656715711	420901320	/nfs/dbraw/zinc/90/13/20/420901320.db2.gz	AZBTVQCWZOURQB-KCJUWKMLSA-N	-2	3	349.386	-0.390	20	0		EBADHL
O=C([O-])[C@@H]1COCCN1C(=O)CC[N-]S(=O)(=O)c1cccs1	ZINC000315780510	421119106	/nfs/dbraw/zinc/11/91/06/421119106.db2.gz	ROHTYPXUJHJFMG-VIFPVBQESA-N	-2	3	348.402	-0.272	20	0		EBADHL
CCc1nc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])cn1CC1CC1	ZINC000663285309	421128574	/nfs/dbraw/zinc/12/85/74/421128574.db2.gz	FWGLCOMBDVCJFG-JTQLQIEISA-N	-2	3	331.394	-0.031	20	0		EBADHL
CC(C)[C@@H](C(=O)[O-])N1CC[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C1=O	ZINC000417444023	264814064	/nfs/dbraw/zinc/81/40/64/264814064.db2.gz	BRIRGXJMUYMSIV-SCZZXKLOSA-N	-2	3	330.366	-0.602	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N(C)CCCC(=O)[O-])cn1C	ZINC000427733599	265110031	/nfs/dbraw/zinc/11/00/31/265110031.db2.gz	IHWJAKKWKODJGP-UHFFFAOYSA-N	-2	3	346.409	-0.280	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)c2nnn[n-]2)c(C)o1	ZINC000434351471	265200479	/nfs/dbraw/zinc/20/04/79/265200479.db2.gz	BZRDEGMBPQZNIB-UHFFFAOYSA-N	-2	3	328.354	-0.326	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)c2nn[n-]n2)c(C)o1	ZINC000434351471	265200482	/nfs/dbraw/zinc/20/04/82/265200482.db2.gz	BZRDEGMBPQZNIB-UHFFFAOYSA-N	-2	3	328.354	-0.326	20	0		EBADHL
CC[C@H](C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000339350009	287654617	/nfs/dbraw/zinc/65/46/17/287654617.db2.gz	UPXZSZHIQRSTRG-QPUJVOFHSA-N	-2	3	346.409	-0.378	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(NC(=O)c2n[nH]c(=O)[n-]c2=O)ccc1F	ZINC000672064041	546079292	/nfs/dbraw/zinc/07/92/92/546079292.db2.gz	IWIYOLAAFKTPGD-UHFFFAOYSA-N	-2	3	343.296	-0.418	20	0		EBADHL
C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)s1	ZINC000683333303	546347665	/nfs/dbraw/zinc/34/76/65/546347665.db2.gz	BJTPEGBPWIFWGQ-BDAKNGLRSA-N	-2	3	348.402	-0.095	20	0		EBADHL
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NN1CC(=O)[N-]C1=O	ZINC000725878499	582592103	/nfs/dbraw/zinc/59/21/03/582592103.db2.gz	GGRVDEVZNKYREH-UHFFFAOYSA-N	-2	3	332.320	-0.433	20	0		EBADHL
CC[C@@](C)(NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000736861374	582964169	/nfs/dbraw/zinc/96/41/69/582964169.db2.gz	LCKURVSNGZRCIN-GFCCVEGCSA-N	-2	3	332.382	-0.624	20	0		EBADHL
COC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000736968374	582978037	/nfs/dbraw/zinc/97/80/37/582978037.db2.gz	REXGZKKRHDTFAQ-QMMMGPOBSA-N	-2	3	325.350	-0.046	20	0		EBADHL
COC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1	ZINC000736968374	582978041	/nfs/dbraw/zinc/97/80/41/582978041.db2.gz	REXGZKKRHDTFAQ-QMMMGPOBSA-N	-2	3	325.350	-0.046	20	0		EBADHL
COC(=O)CN(CC(=O)[O-])C(=O)CCc1c(C)nc(C)[n-]c1=O	ZINC000737604836	583020094	/nfs/dbraw/zinc/02/00/94/583020094.db2.gz	RFCIQYWOHXISCZ-UHFFFAOYSA-N	-2	3	325.321	-0.182	20	0		EBADHL
Cc1[nH]c(C(=O)CN2CC[C@]3(C2)NC(=O)[N-]C3=O)c(C)c1C(=O)[O-]	ZINC000738153973	583043466	/nfs/dbraw/zinc/04/34/66/583043466.db2.gz	PYSHQAKQILTCEN-OAHLLOKOSA-N	-2	3	334.332	-0.204	20	0		EBADHL
O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1CC(=O)N(C2CC2)C1	ZINC000838910720	583058630	/nfs/dbraw/zinc/05/86/30/583058630.db2.gz	ADFCLVZGLOQXBB-MRVPVSSYSA-N	-2	3	349.372	-0.226	20	0		EBADHL
Cn1[n-]c(COC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)nc1=O	ZINC000765496214	583284102	/nfs/dbraw/zinc/28/41/02/583284102.db2.gz	XXFZSVZZWOCOTF-OAHLLOKOSA-N	-2	3	345.315	-0.480	20	0		EBADHL
CCn1c(=O)[n-]nc1S(=O)(=O)CCC[N-]C(=O)C(F)(F)F	ZINC000774627595	583387749	/nfs/dbraw/zinc/38/77/49/583387749.db2.gz	RXNSYLCMZGEWHJ-UHFFFAOYSA-N	-2	3	330.288	-0.154	20	0		EBADHL
NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-]	ZINC000776444714	583404411	/nfs/dbraw/zinc/40/44/11/583404411.db2.gz	NUFLYCSRSMNUPO-BYPYZUCNSA-N	-2	3	342.160	-0.005	20	0		EBADHL
COC(=O)[C@H](C)CS(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000776594747	583406665	/nfs/dbraw/zinc/40/66/65/583406665.db2.gz	CMEYNMWHCWDGCB-ADEWGFFLSA-N	-2	3	345.373	-0.098	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-]	ZINC000776627935	583407615	/nfs/dbraw/zinc/40/76/15/583407615.db2.gz	YPXOEQIUYQDAGR-SECBINFHSA-N	-2	3	335.309	-0.010	20	0		EBADHL
CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000821613188	583795070	/nfs/dbraw/zinc/79/50/70/583795070.db2.gz	AYRKRJXBSDYHKC-UHFFFAOYSA-N	-2	3	341.331	-0.062	20	0		EBADHL
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000821613188	583795072	/nfs/dbraw/zinc/79/50/72/583795072.db2.gz	AYRKRJXBSDYHKC-UHFFFAOYSA-N	-2	3	341.331	-0.062	20	0		EBADHL
CCC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1nnn[n-]1	ZINC000825241868	583856729	/nfs/dbraw/zinc/85/67/29/583856729.db2.gz	CBBHMWUNLUMSTB-ZETCQYMHSA-N	-2	3	332.328	-0.124	20	0		EBADHL
CCC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1nn[n-]n1	ZINC000825241868	583856730	/nfs/dbraw/zinc/85/67/30/583856730.db2.gz	CBBHMWUNLUMSTB-ZETCQYMHSA-N	-2	3	332.328	-0.124	20	0		EBADHL
CCC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1nnn[n-]1	ZINC000825241868	583856731	/nfs/dbraw/zinc/85/67/31/583856731.db2.gz	CBBHMWUNLUMSTB-ZETCQYMHSA-N	-2	3	332.328	-0.124	20	0		EBADHL
CCC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1nn[n-]n1	ZINC000825241868	583856732	/nfs/dbraw/zinc/85/67/32/583856732.db2.gz	CBBHMWUNLUMSTB-ZETCQYMHSA-N	-2	3	332.328	-0.124	20	0		EBADHL
O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000826482302	583904685	/nfs/dbraw/zinc/90/46/85/583904685.db2.gz	ZKUDOYHQWWQQAN-LURJTMIESA-N	-2	3	333.333	-0.696	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827350508	583919486	/nfs/dbraw/zinc/91/94/86/583919486.db2.gz	UWXDAMSLDWVXMB-MRVPVSSYSA-N	-2	3	346.365	-0.041	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827350508	583919488	/nfs/dbraw/zinc/91/94/88/583919488.db2.gz	UWXDAMSLDWVXMB-MRVPVSSYSA-N	-2	3	346.365	-0.041	20	0		EBADHL
C[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-]	ZINC000827571671	583924000	/nfs/dbraw/zinc/92/40/00/583924000.db2.gz	OUIFXTRQNBWCBZ-QMMMGPOBSA-N	-3	3	344.345	-0.037	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000829890370	583959614	/nfs/dbraw/zinc/95/96/14/583959614.db2.gz	PKYATIRLWHPKSO-CBAPKCEASA-N	-2	3	331.350	-0.072	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000829890370	583959616	/nfs/dbraw/zinc/95/96/16/583959616.db2.gz	PKYATIRLWHPKSO-CBAPKCEASA-N	-2	3	331.350	-0.072	20	0		EBADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000829890394	583959744	/nfs/dbraw/zinc/95/97/44/583959744.db2.gz	QNJVXYLHLRIOOT-LLVKDONJSA-N	-2	3	335.313	-0.226	20	0		EBADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000829890394	583959745	/nfs/dbraw/zinc/95/97/45/583959745.db2.gz	QNJVXYLHLRIOOT-LLVKDONJSA-N	-2	3	335.313	-0.226	20	0		EBADHL
Cc1nc(C)c(CC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])c(=O)[n-]1	ZINC000830716796	583969986	/nfs/dbraw/zinc/96/99/86/583969986.db2.gz	YBADHDIJKWUGLJ-LLVKDONJSA-N	-2	3	337.380	-0.248	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NCC(C)(C)NC(=O)[O-])cn1C	ZINC000830775614	583970907	/nfs/dbraw/zinc/97/09/07/583970907.db2.gz	QJVPTRMBJCZUOJ-UHFFFAOYSA-N	-2	3	347.397	-0.831	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])c(C)o1	ZINC000831034277	583975346	/nfs/dbraw/zinc/97/53/46/583975346.db2.gz	RJDVQHPFGKHIGS-SSDOTTSWSA-N	-2	3	348.333	-0.758	20	0		EBADHL
COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000831071652	583975721	/nfs/dbraw/zinc/97/57/21/583975721.db2.gz	FASNARGTEUEHIP-VIFPVBQESA-N	-2	3	333.366	-0.166	20	0		EBADHL
Cc1cc(N2CC[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])C2=O)n(C)n1	ZINC000832890788	584002344	/nfs/dbraw/zinc/00/23/44/584002344.db2.gz	WSQZUDHORWNXST-WPRPVWTQSA-N	-2	3	344.393	-0.526	20	0		EBADHL
Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])C2=O)n1	ZINC000833055952	584003710	/nfs/dbraw/zinc/00/37/10/584003710.db2.gz	SBCZQQXXNJXCBO-JTQLQIEISA-N	-2	3	344.393	-0.300	20	0		EBADHL
CC(=O)N1CCC(C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1	ZINC000833390123	584009590	/nfs/dbraw/zinc/00/95/90/584009590.db2.gz	IZSLTNOJAXOOGD-UHFFFAOYSA-N	-2	3	344.393	-0.047	20	0		EBADHL
CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])s1	ZINC000833395580	584009603	/nfs/dbraw/zinc/00/96/03/584009603.db2.gz	PCUSBVMRNCFHNQ-SVRRBLITSA-N	-2	3	336.391	-0.331	20	0		EBADHL
CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])s1	ZINC000833397570	584009860	/nfs/dbraw/zinc/00/98/60/584009860.db2.gz	ULHQYCKUYBPLCV-VIFPVBQESA-N	-2	3	336.391	-0.850	20	0		EBADHL
CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1	ZINC000833656339	584013387	/nfs/dbraw/zinc/01/33/87/584013387.db2.gz	CHHZVFYYIPGTMS-SSDOTTSWSA-N	-2	3	348.406	-0.077	20	0		EBADHL
COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000833702709	584014401	/nfs/dbraw/zinc/01/44/01/584014401.db2.gz	YGMGYQLCMMNAEF-BDJLRTHQSA-N	-2	3	347.327	-0.117	20	0		EBADHL
O=C([O-])N(CC(=O)Nc1nnc(SCCO)[n-]1)C[C@@H]1CCCO1	ZINC000834008401	584023896	/nfs/dbraw/zinc/02/38/96/584023896.db2.gz	YJBUOGVANRTDBU-QMMMGPOBSA-N	-2	3	345.381	-0.013	20	0		EBADHL
O=C([O-])N(CC(=O)Nc1nc(SCCO)n[n-]1)C[C@@H]1CCCO1	ZINC000834008401	584023899	/nfs/dbraw/zinc/02/38/99/584023899.db2.gz	YJBUOGVANRTDBU-QMMMGPOBSA-N	-2	3	345.381	-0.013	20	0		EBADHL
O=C([O-])N(CC(=O)Nc1n[n-]c(SCCO)n1)C[C@@H]1CCCO1	ZINC000834008401	584023902	/nfs/dbraw/zinc/02/39/02/584023902.db2.gz	YJBUOGVANRTDBU-QMMMGPOBSA-N	-2	3	345.381	-0.013	20	0		EBADHL
O=C([O-])NCCCOC1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1	ZINC000834238122	584029642	/nfs/dbraw/zinc/02/96/42/584029642.db2.gz	ILGFRNIOIMXKTF-JTQLQIEISA-N	-2	3	342.352	-0.750	20	0		EBADHL
O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)CC1	ZINC000834288500	584030662	/nfs/dbraw/zinc/03/06/62/584030662.db2.gz	GHHPFFYLRVVQFY-PSLIRLAXSA-N	-2	3	336.348	-0.423	20	0		EBADHL
O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1	ZINC000843257272	584074026	/nfs/dbraw/zinc/07/40/26/584074026.db2.gz	NCACEMZUCBOMNE-RITPCOANSA-N	-2	3	349.269	-0.191	20	0		EBADHL
O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1	ZINC000843257272	584074027	/nfs/dbraw/zinc/07/40/27/584074027.db2.gz	NCACEMZUCBOMNE-RITPCOANSA-N	-2	3	349.269	-0.191	20	0		EBADHL
O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1	ZINC000843257272	584074028	/nfs/dbraw/zinc/07/40/28/584074028.db2.gz	NCACEMZUCBOMNE-RITPCOANSA-N	-2	3	349.269	-0.191	20	0		EBADHL
COCCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F	ZINC000844894170	584098035	/nfs/dbraw/zinc/09/80/35/584098035.db2.gz	QEJRDVPKYRASBA-UHFFFAOYSA-N	-2	3	348.352	-0.127	20	0		EBADHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1	ZINC000846003506	584119475	/nfs/dbraw/zinc/11/94/75/584119475.db2.gz	DMWQMDZTRNYLOD-UHFFFAOYSA-N	-2	3	334.325	-0.042	20	0		EBADHL
O=C([N-][N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2)NCC1CC1	ZINC000064940272	649963828	/nfs/dbraw/zinc/96/38/28/649963828.db2.gz	JXDBRXIYXFHEAC-UHFFFAOYSA-N	-2	3	340.361	-0.080	20	0		EBADHL
O=C(N[C@H]1CCN(C(=O)c2ccccc2[O-])C1)c1n[nH]c(=O)[n-]c1=O	ZINC000938348536	652204653	/nfs/dbraw/zinc/20/46/53/652204653.db2.gz	AMHJKFIEHUPWED-QMMMGPOBSA-N	-2	3	345.315	-0.367	20	0		EBADHL
O=C(N[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1)c1ncccc1[O-]	ZINC000940139166	653085620	/nfs/dbraw/zinc/08/56/20/653085620.db2.gz	UCIUPHUNQIEGJM-SECBINFHSA-N	-2	3	329.316	-0.073	20	0		EBADHL
C[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)CCN1Cc1n[nH]c(=O)[n-]1	ZINC000947433856	653401803	/nfs/dbraw/zinc/40/18/03/653401803.db2.gz	NBQANFKFUHGWEI-DTWKUNHWSA-N	-2	3	333.352	-0.211	20	0		EBADHL
O=C([O-])N1CCN(CC(=O)NCc2ccc([O-])c(F)c2)C(=O)C1	ZINC000740367556	719420454	/nfs/dbraw/zinc/42/04/54/719420454.db2.gz	CYBNYKHESXDLCI-UHFFFAOYSA-N	-2	3	325.296	-0.030	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CC[C@H]1C	ZINC000967944050	724937907	/nfs/dbraw/zinc/93/79/07/724937907.db2.gz	LPRVXMMGHFJCPI-SCZZXKLOSA-N	-2	3	347.379	-0.045	20	0		EBADHL
O=C(NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1cnc[n-]c1=O	ZINC001000826001	726579922	/nfs/dbraw/zinc/57/99/22/726579922.db2.gz	SDHUHGQGGYOMLN-UHFFFAOYSA-N	-2	3	331.336	-0.432	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2O)c1[O-]	ZINC001023412086	729681961	/nfs/dbraw/zinc/68/19/61/729681961.db2.gz	NGXXVEHFACLZTM-ZYHUDNBSSA-N	-2	3	346.343	-0.255	20	0		EBADHL
Cn1[n-]c(CN2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001028497800	730301759	/nfs/dbraw/zinc/30/17/59/730301759.db2.gz	AGCKVFDLPOQEOJ-JTQLQIEISA-N	-2	3	332.364	-0.539	20	0		EBADHL
CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1	ZINC001033024231	730959000	/nfs/dbraw/zinc/95/90/00/730959000.db2.gz	BNPHLPLJQVUDPG-SNVBAGLBSA-N	-2	3	332.364	-0.445	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CC[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)[C@@H]2C1	ZINC001042108592	732320060	/nfs/dbraw/zinc/32/00/60/732320060.db2.gz	DYHXLHCMWPFNFH-GXSJLCMTSA-N	-2	3	345.363	-0.258	20	0		EBADHL
O=C(NC[C@H]1COCCN1Cc1n[nH]c(=O)[n-]1)c1ccccc1[O-]	ZINC001050824060	734967323	/nfs/dbraw/zinc/96/73/23/734967323.db2.gz	GBHNTTVQKUHSPB-JTQLQIEISA-N	-2	3	333.348	-0.153	20	0		EBADHL
O=C(c1ccccc1[O-])N1CCOC2(CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001053163740	735764192	/nfs/dbraw/zinc/76/41/92/735764192.db2.gz	IILXHGZJNIMQRS-UHFFFAOYSA-N	-2	3	345.359	-0.057	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC001005922506	809871771	/nfs/dbraw/zinc/87/17/71/809871771.db2.gz	OJUBXZZUVQXZQF-ZETCQYMHSA-N	-2	3	346.347	-0.190	20	0		EBADHL
N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCCOP(=O)([O-])[O-]	ZINC001220221190	811020963	/nfs/dbraw/zinc/02/09/63/811020963.db2.gz	UUHKBNFJAPYFOM-JTQLQIEISA-N	-2	3	328.265	-0.342	20	0		EBADHL
O=C(Oc1[n-]c(=S)nc2[nH]ccc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001228528076	811985759	/nfs/dbraw/zinc/98/57/59/811985759.db2.gz	CYOMZYOZUQWZPB-RXMQYKEDSA-N	-3	3	335.234	-0.378	20	0		EBADHL
NC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259223172	812808325	/nfs/dbraw/zinc/80/83/25/812808325.db2.gz	QSELARUMVQKLQS-ZETCQYMHSA-N	-2	3	340.716	-0.698	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c1[O-]	ZINC001086674368	816391584	/nfs/dbraw/zinc/39/15/84/816391584.db2.gz	BOIKEBDOCRQXDR-DTWKUNHWSA-N	-2	3	335.368	-0.064	20	0		EBADHL
Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001088808057	816746805	/nfs/dbraw/zinc/74/68/05/816746805.db2.gz	NQCOALLLQIDUOX-BDAKNGLRSA-N	-2	3	333.352	-0.293	20	0		EBADHL
NC(=O)c1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1	ZINC001185568767	833361340	/nfs/dbraw/zinc/36/13/40/833361340.db2.gz	YBNVCZUBZPBKJR-UHFFFAOYSA-N	-2	3	346.332	-0.444	20	0		EBADHL
NC(=O)c1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1	ZINC001185568767	833361343	/nfs/dbraw/zinc/36/13/43/833361343.db2.gz	YBNVCZUBZPBKJR-UHFFFAOYSA-N	-2	3	346.332	-0.444	20	0		EBADHL
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CO[N-]C1=O	ZINC001190594788	834298572	/nfs/dbraw/zinc/29/85/72/834298572.db2.gz	FDHBRQUQDPUVPF-MRVPVSSYSA-N	-2	3	334.737	-0.165	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC(=O)NC2=O)c(F)cc1F	ZINC001195259137	835203979	/nfs/dbraw/zinc/20/39/79/835203979.db2.gz	XYXOUHNIMITMDW-YFKPBYRVSA-N	-2	3	348.283	-0.396	20	0		EBADHL
CCOC(=O)c1ccncc1S(=O)(=O)NCCP(=O)([O-])[O-]	ZINC001195654996	835266444	/nfs/dbraw/zinc/26/64/44/835266444.db2.gz	VIKOONYTAZIWQE-UHFFFAOYSA-N	-2	3	338.278	-0.286	20	0		EBADHL
O=c1cc(CN2C[C@H]3C[C@@]3(CO)C2)nc2c(-c3nnn[n-]3)c[n-]n21	ZINC001570926951	948700922	/nfs/dbraw/zinc/70/09/22/948700922.db2.gz	LATNNZLBMNGLEZ-CLAHSXSESA-N	-2	3	328.336	-0.571	20	0		EBADHL
CN(C)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001593692143	954048272	/nfs/dbraw/zinc/04/82/72/954048272.db2.gz	QOABTNBHMLKLBW-IONNQARKSA-N	-2	3	325.287	-0.329	20	0		EBADHL
O=C([O-])C1(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCOCC1	ZINC001594857221	954250170	/nfs/dbraw/zinc/25/01/70/954250170.db2.gz	WGLBEGFEPLZLTN-JTQLQIEISA-N	-2	3	336.348	-0.242	20	0		EBADHL
CN1C(=O)C[C@H]([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1=O	ZINC000388289824	972163705	/nfs/dbraw/zinc/16/37/05/972163705.db2.gz	RSEDMCSPLZCRDM-JTQLQIEISA-N	-2	3	326.330	-0.439	20	0		EBADHL
COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCO1	ZINC001593981446	956714786	/nfs/dbraw/zinc/71/47/86/956714786.db2.gz	XSCFUNMULCWJMP-MRXNPFEDSA-N	-2	3	348.311	-0.488	20	0		EBADHL
CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000230990507	960176474	/nfs/dbraw/zinc/17/64/74/960176474.db2.gz	VKNNXRNCNZHUOM-UHFFFAOYSA-N	-2	3	343.408	-0.989	20	0		EBADHL
COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001571223357	962562123	/nfs/dbraw/zinc/56/21/23/962562123.db2.gz	GMRHBSUIDXJCOH-VHSXEESVSA-N	-2	3	335.378	-0.119	20	0		EBADHL
CNC(=O)c1n[n-]nc1NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC001604249597	972781149	/nfs/dbraw/zinc/78/11/49/972781149.db2.gz	NRKMYLGPVGTBKB-SECBINFHSA-N	-2	3	332.320	-0.018	20	0		EBADHL
Cn1cnnc1S(=O)(=O)[N-]C[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001605528259	973711714	/nfs/dbraw/zinc/71/17/14/973711714.db2.gz	ALTCEUIXAYPGRX-XEVUQIKYSA-N	-2	3	330.366	-0.494	20	0		EBADHL
CC[C@@](COC)([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC	ZINC001595200274	979948659	/nfs/dbraw/zinc/94/86/59/979948659.db2.gz	WTBHBVGUWUZISN-NSHDSACASA-N	-2	3	335.338	-0.646	20	0		EBADHL
CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)N1CCOCC1	ZINC001595311248	980470818	/nfs/dbraw/zinc/47/08/18/980470818.db2.gz	RINJFTXYCYMELC-JTQLQIEISA-N	-2	3	346.361	-0.107	20	0		EBADHL
Cn1ncc(S(=O)(=O)[N-]CC(=O)[O-])c1I	ZINC001574784767	983275390	/nfs/dbraw/zinc/27/53/90/983275390.db2.gz	QHKPORZYRYVSJL-UHFFFAOYSA-N	-2	3	345.118	-0.612	20	0		EBADHL
CC(C)(C)OC(=O)[C@](C)(O)C[N-]S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001589845425	988361739	/nfs/dbraw/zinc/36/17/39/988361739.db2.gz	ZMOCUYUCGUFSOZ-GFCCVEGCSA-N	-2	3	337.394	-0.137	20	0		EBADHL
CN1CCN(C(=O)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1	ZINC001598607006	993680646	/nfs/dbraw/zinc/68/06/46/993680646.db2.gz	GVKNYLXKAJWDQX-UHFFFAOYSA-N	-2	3	331.350	-0.970	20	0		EBADHL
CN1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@H](C(=O)[O-])C1	ZINC001598613259	993824338	/nfs/dbraw/zinc/82/43/38/993824338.db2.gz	OCRIVCBHKOSQIL-SECBINFHSA-N	-2	3	347.331	-0.476	20	0		EBADHL
CN1CCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1(C)C	ZINC001598618698	993950274	/nfs/dbraw/zinc/95/02/74/993950274.db2.gz	RFCYTOJMRMDTJA-UHFFFAOYSA-N	-2	3	346.409	-0.323	20	0		EBADHL
C[C@H]([C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])N1CCOCC1	ZINC001593325787	994868509	/nfs/dbraw/zinc/86/85/09/994868509.db2.gz	LPKPWBQSFJWXCN-DTWKUNHWSA-N	-2	3	332.382	-0.505	20	0		EBADHL
COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001598697058	995156814	/nfs/dbraw/zinc/15/68/14/995156814.db2.gz	HRABTRZPROZKTH-YFKPBYRVSA-N	-2	3	327.265	-0.417	20	0		EBADHL
COC(=O)[C@H]1CN(Cc2nc3c(c(=O)[n-]2)COCC3)C[C@H]1C(=O)[O-]	ZINC001598826170	996384858	/nfs/dbraw/zinc/38/48/58/996384858.db2.gz	MSGLYXHEKHXAGN-BDAKNGLRSA-N	-2	3	337.332	-0.440	20	0		EBADHL
CC(=O)Nc1nc(C)c(S(=O)(=O)NCCP(=O)([O-])[O-])s1	ZINC001250832095	1130535855	/nfs/dbraw/zinc/53/58/55/1130535855.db2.gz	UESHHGWHOAYLTC-UHFFFAOYSA-N	-2	3	343.323	-0.134	20	0		EBADHL
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1	ZINC000560480100	376710964	/nfs/dbraw/zinc/71/09/64/376710964.db2.gz	OTOXHILMPHMHMS-SFYZADRCSA-N	-2	3	336.391	-0.127	20	0		EBADHL
CCOCCS(=O)(=O)[N-]CC(=O)Nc1ncc(C(=O)OCC)[n-]1	ZINC000593902045	377920416	/nfs/dbraw/zinc/92/04/16/377920416.db2.gz	YYLLKBCBBSQNBR-UHFFFAOYSA-N	-2	3	348.381	-0.519	20	0		EBADHL
CO[C@@H](CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000262736906	379238091	/nfs/dbraw/zinc/23/80/91/379238091.db2.gz	DJPRSDUQQJNRCE-SFYZADRCSA-N	-2	3	336.391	-0.369	20	0		EBADHL
O=C([O-])C1CN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1	ZINC000621832032	379365108	/nfs/dbraw/zinc/36/51/08/379365108.db2.gz	BMARADDQKCRIKD-UHFFFAOYSA-N	-2	3	333.391	-0.248	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000622118243	379418207	/nfs/dbraw/zinc/41/82/07/379418207.db2.gz	OZYAKSKZCIMUQA-UHFFFAOYSA-N	-2	3	345.337	-0.683	20	0		EBADHL
COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])s1	ZINC000274904480	379722419	/nfs/dbraw/zinc/72/24/19/379722419.db2.gz	IXMKVBVVCGKKFO-YFKPBYRVSA-N	-2	3	339.347	-0.733	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])oc1C	ZINC000274955505	379726929	/nfs/dbraw/zinc/72/69/29/379726929.db2.gz	ILMGAULYHKHAIX-ZETCQYMHSA-N	-3	3	349.317	-0.172	20	0		EBADHL
COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-]	ZINC000274988105	379728902	/nfs/dbraw/zinc/72/89/02/379728902.db2.gz	YTOPDRWBSMMCFD-QMMMGPOBSA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c1	ZINC000275064740	379733371	/nfs/dbraw/zinc/73/33/71/379733371.db2.gz	KGRSGHQZEBEHJC-VIFPVBQESA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275364437	379753548	/nfs/dbraw/zinc/75/35/48/379753548.db2.gz	XVXNEGQHRJCMON-ZETCQYMHSA-N	-2	3	329.290	-0.483	20	0		EBADHL
C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)[C@H](C)C(=O)Nc1ncccc1[O-]	ZINC000614824238	379988313	/nfs/dbraw/zinc/98/83/13/379988313.db2.gz	FBYRVTMIBCPAFL-BQBZGAKWSA-N	-2	3	348.319	-0.224	20	0		EBADHL
CCn1cnc(S(=O)(=O)[N-][C@H](Cc2cnn(C)c2)C(=O)[O-])c1	ZINC000547574635	380147493	/nfs/dbraw/zinc/14/74/93/380147493.db2.gz	GFZUQWRZCHHEEZ-SNVBAGLBSA-N	-2	3	327.366	-0.389	20	0		EBADHL
O=C([O-])[C@@H]1CC(=O)N(CC[N-]S(=O)(=O)c2cncc(F)c2)C1	ZINC000547574779	380147564	/nfs/dbraw/zinc/14/75/64/380147564.db2.gz	ARQTVVHGWFFPLP-MRVPVSSYSA-N	-2	3	331.325	-0.568	20	0		EBADHL
COC(=O)c1ccccc1CS(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-]	ZINC000548222580	380192658	/nfs/dbraw/zinc/19/26/58/380192658.db2.gz	GYTQWXOBVKAQME-LLVKDONJSA-N	-2	3	331.346	-0.008	20	0		EBADHL
COC(=O)c1ccccc1CS(=O)(=O)[N-]C[C@H](OC)C(=O)[O-]	ZINC000548222581	380192713	/nfs/dbraw/zinc/19/27/13/380192713.db2.gz	GYTQWXOBVKAQME-NSHDSACASA-N	-2	3	331.346	-0.008	20	0		EBADHL
O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1	ZINC000564326518	380151837	/nfs/dbraw/zinc/15/18/37/380151837.db2.gz	IWPOJMNECRELJE-RXMQYKEDSA-N	-2	3	326.377	-0.693	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])NCc1nnc(C(F)(F)F)[n-]1	ZINC000361024562	380281867	/nfs/dbraw/zinc/28/18/67/380281867.db2.gz	ZPEGPFJFYWEAIC-UHFFFAOYSA-N	-2	3	344.253	-0.030	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])NCc1n[n-]c(C(F)(F)F)n1	ZINC000361024562	380281875	/nfs/dbraw/zinc/28/18/75/380281875.db2.gz	ZPEGPFJFYWEAIC-UHFFFAOYSA-N	-2	3	344.253	-0.030	20	0		EBADHL
O=C(CNC(=O)c1ncccc1[O-])NCc1nc(C(F)(F)F)n[n-]1	ZINC000361024562	380281881	/nfs/dbraw/zinc/28/18/81/380281881.db2.gz	ZPEGPFJFYWEAIC-UHFFFAOYSA-N	-2	3	344.253	-0.030	20	0		EBADHL
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)[O-])cc1F	ZINC000340454075	380502564	/nfs/dbraw/zinc/50/25/64/380502564.db2.gz	JAFVIBHSLUIFQP-UHFFFAOYSA-N	-2	3	326.327	-0.440	20	0		EBADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000315089702	380576353	/nfs/dbraw/zinc/57/63/53/380576353.db2.gz	LWNRWZNRVXUUOS-UHFFFAOYSA-N	-2	3	335.269	-0.787	20	0		EBADHL
COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000576820845	380786079	/nfs/dbraw/zinc/78/60/79/380786079.db2.gz	WTRFIPYJONVAHJ-LBPRGKRZSA-N	-2	3	333.366	-0.176	20	0		EBADHL
CCOC(=O)Cc1n[n-]c(=NC(=O)N=c2cc(OC)n(C)[n-]2)s1	ZINC000576927296	380790390	/nfs/dbraw/zinc/79/03/90/380790390.db2.gz	BYVPKBSGCZZKBD-UHFFFAOYSA-N	-2	3	340.365	-0.126	20	0		EBADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)s1	ZINC000580571415	380795975	/nfs/dbraw/zinc/79/59/75/380795975.db2.gz	IWATYCPDGBIWAI-CBAPKCEASA-N	-2	3	349.390	-0.131	20	0		EBADHL
CCOC(=O)c1cc([N-]S(=O)(=O)CCCS(N)(=O)=O)n[n-]1	ZINC000349462501	380879344	/nfs/dbraw/zinc/87/93/44/380879344.db2.gz	XNXGMNQFWRZRBZ-UHFFFAOYSA-N	-2	3	340.383	-0.993	20	0		EBADHL
CCc1ncc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)s1	ZINC000579785693	381014597	/nfs/dbraw/zinc/01/45/97/381014597.db2.gz	MXBNZQZRNLFWOC-UHFFFAOYSA-N	-2	3	331.379	-0.140	20	0		EBADHL
COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c1	ZINC000263510030	292001025	/nfs/dbraw/zinc/00/10/25/292001025.db2.gz	XISSUBXPKGPTLK-LBPRGKRZSA-N	-2	3	335.309	-0.274	20	0		EBADHL
COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274917667	292001753	/nfs/dbraw/zinc/00/17/53/292001753.db2.gz	MEUBTQSVSMCHQK-MRVPVSSYSA-N	-3	3	349.292	-0.182	20	0		EBADHL
C[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-]	ZINC000261659928	154196567	/nfs/dbraw/zinc/19/65/67/154196567.db2.gz	IUPFLBJLGODNEX-LURJTMIESA-N	-2	3	340.354	-0.051	20	0		EBADHL
C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)C[C@H](C(=O)[O-])O1	ZINC000262286267	154222054	/nfs/dbraw/zinc/22/20/54/154222054.db2.gz	ZONHZIVMLKYLQC-RKDXNWHRSA-N	-2	3	348.402	-0.273	20	0		EBADHL
COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)[O-])c(C(=O)OC)s1	ZINC000262364392	154226057	/nfs/dbraw/zinc/22/60/57/154226057.db2.gz	DHNNMZPUYBNDJX-UHFFFAOYSA-N	-2	3	337.331	-0.316	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000262404549	154230286	/nfs/dbraw/zinc/23/02/86/154230286.db2.gz	OGYREAJRWHXVSJ-OQPBUACISA-N	-2	3	348.352	-0.556	20	0		EBADHL
CC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262524089	154234593	/nfs/dbraw/zinc/23/45/93/154234593.db2.gz	REJUSCIEKJGNMC-APPZFPTMSA-N	-2	3	333.366	-0.062	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)CC(=O)[O-]	ZINC000262991220	154251697	/nfs/dbraw/zinc/25/16/97/154251697.db2.gz	OIWCXWOTAKIALA-XPUUQOCRSA-N	-2	3	333.366	-0.062	20	0		EBADHL
Cc1cc(C(=O)NC[C@@H]2CN(C)CCN2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000266853069	154355624	/nfs/dbraw/zinc/35/56/24/154355624.db2.gz	REJQKUYZLFLLBG-SNVBAGLBSA-N	-2	3	346.391	-0.280	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NCCCCCC(=O)[O-])cn1C	ZINC000355418794	157002084	/nfs/dbraw/zinc/00/20/84/157002084.db2.gz	LWPBUPXRRJRNHE-UHFFFAOYSA-N	-2	3	346.409	-0.232	20	0		EBADHL
C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])cn21	ZINC000515807623	419985525	/nfs/dbraw/zinc/98/55/25/419985525.db2.gz	CTLPDMVUKZABIM-SECBINFHSA-N	-2	3	344.393	-0.350	20	0		EBADHL
CS(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC000516071196	419987688	/nfs/dbraw/zinc/98/76/88/419987688.db2.gz	FYIVKMZDFPDHBY-QMMMGPOBSA-N	-2	3	338.363	-0.710	20	0		EBADHL
C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CN1CC(=O)[N-]C1=O	ZINC000646202139	420539995	/nfs/dbraw/zinc/53/99/95/420539995.db2.gz	JAXYIDPQWCPKCY-BDAKNGLRSA-N	-2	3	349.347	-0.582	20	0		EBADHL
Cc1[n-][nH]c(=O)c1CCNC(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000522254004	420719947	/nfs/dbraw/zinc/71/99/47/420719947.db2.gz	MQVVRVZDVIPCFN-VIFPVBQESA-N	-2	3	344.418	-0.345	20	0		EBADHL
CCc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)cn1CC1CC1	ZINC000663288757	421128741	/nfs/dbraw/zinc/12/87/41/421128741.db2.gz	VIRZEWWMUVRDNI-UFBFGSQYSA-N	-2	3	331.394	-0.032	20	0		EBADHL
O=C([O-])[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)CCS1(=O)=O	ZINC000424396057	265059037	/nfs/dbraw/zinc/05/90/37/265059037.db2.gz	BJELDGCYJPDMMA-LLVKDONJSA-N	-2	3	346.336	-0.076	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](C(=O)[O-])C(C)C)cn1C	ZINC000428067359	265117769	/nfs/dbraw/zinc/11/77/69/265117769.db2.gz	TVPUOKCLAQFXOG-NSHDSACASA-N	-2	3	332.382	-0.768	20	0		EBADHL
NC(=O)CC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000364431543	303247756	/nfs/dbraw/zinc/24/77/56/303247756.db2.gz	VTTXHZMDQOGPCO-MRVPVSSYSA-N	-2	3	330.366	-0.784	20	0		EBADHL
COC[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)C(=O)[O-]	ZINC000650412866	582548188	/nfs/dbraw/zinc/54/81/88/582548188.db2.gz	LMQODTGWYIPENS-MRVPVSSYSA-N	-2	3	334.350	-0.332	20	0		EBADHL
O=C(Cn1cc(Br)c(=O)[n-]c1=O)[N-]OC[C@H]1CCOC1	ZINC000788271645	582672431	/nfs/dbraw/zinc/67/24/31/582672431.db2.gz	OMSIOOWHADFDGX-ZETCQYMHSA-N	-2	3	348.153	-0.204	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1nnc(C(F)(F)F)[n-]1	ZINC000730534992	582829146	/nfs/dbraw/zinc/82/91/46/582829146.db2.gz	FOMIMESWYICKTH-UHFFFAOYSA-N	-2	3	328.214	-0.153	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1nc(C(F)(F)F)n[n-]1	ZINC000730534992	582829147	/nfs/dbraw/zinc/82/91/47/582829147.db2.gz	FOMIMESWYICKTH-UHFFFAOYSA-N	-2	3	328.214	-0.153	20	0		EBADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1n[n-]c(C(F)(F)F)n1	ZINC000730534992	582829148	/nfs/dbraw/zinc/82/91/48/582829148.db2.gz	FOMIMESWYICKTH-UHFFFAOYSA-N	-2	3	328.214	-0.153	20	0		EBADHL
CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000736478156	582935866	/nfs/dbraw/zinc/93/58/66/582935866.db2.gz	UIWYDSDTNNHEDM-UHFFFAOYSA-N	-2	3	340.379	-0.416	20	0		EBADHL
COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000736969585	582978433	/nfs/dbraw/zinc/97/84/33/582978433.db2.gz	WWUNSENHNRZKDP-MRVPVSSYSA-N	-2	3	325.350	-0.046	20	0		EBADHL
COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000736969585	582978436	/nfs/dbraw/zinc/97/84/36/582978436.db2.gz	WWUNSENHNRZKDP-MRVPVSSYSA-N	-2	3	325.350	-0.046	20	0		EBADHL
COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1	ZINC000736969299	582978576	/nfs/dbraw/zinc/97/85/76/582978576.db2.gz	KZIJEQUZFNQVCP-VIFPVBQESA-N	-2	3	339.377	-0.110	20	0		EBADHL
COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1	ZINC000736969299	582978579	/nfs/dbraw/zinc/97/85/79/582978579.db2.gz	KZIJEQUZFNQVCP-VIFPVBQESA-N	-2	3	339.377	-0.110	20	0		EBADHL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000736968630	582978717	/nfs/dbraw/zinc/97/87/17/582978717.db2.gz	HNIABMQENKMMNB-MRVPVSSYSA-N	-2	3	325.350	-0.039	20	0		EBADHL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000736968630	582978719	/nfs/dbraw/zinc/97/87/19/582978719.db2.gz	HNIABMQENKMMNB-MRVPVSSYSA-N	-2	3	325.350	-0.039	20	0		EBADHL
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1	ZINC000737538947	583013527	/nfs/dbraw/zinc/01/35/27/583013527.db2.gz	RBKJEDDVPFHZNC-ZCFIWIBFSA-N	-2	3	336.337	-0.007	20	0		EBADHL
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1	ZINC000737538947	583013530	/nfs/dbraw/zinc/01/35/30/583013530.db2.gz	RBKJEDDVPFHZNC-ZCFIWIBFSA-N	-2	3	336.337	-0.007	20	0		EBADHL
Cc1[nH]c(C(=O)CN2CC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)c1C(=O)[O-]	ZINC000738153972	583043652	/nfs/dbraw/zinc/04/36/52/583043652.db2.gz	PYSHQAKQILTCEN-HNNXBMFYSA-N	-2	3	334.332	-0.204	20	0		EBADHL
O=C([O-])C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[O-]	ZINC000738210429	583045503	/nfs/dbraw/zinc/04/55/03/583045503.db2.gz	PHRWMYDLLOHWRB-QMMMGPOBSA-N	-3	3	341.305	-0.927	20	0		EBADHL
O=C([O-])C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-]	ZINC000738210429	583045506	/nfs/dbraw/zinc/04/55/06/583045506.db2.gz	PHRWMYDLLOHWRB-QMMMGPOBSA-N	-3	3	341.305	-0.927	20	0		EBADHL
O=C(Cn1cc(Br)c(=O)[n-]c1=O)[N-]OC1CCOCC1	ZINC000772710112	583364233	/nfs/dbraw/zinc/36/42/33/583364233.db2.gz	LTJDRFCSAIQXMI-UHFFFAOYSA-N	-2	3	348.153	-0.062	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NC2(C(=O)[O-])CCCCC2)c1	ZINC000772858918	583365948	/nfs/dbraw/zinc/36/59/48/583365948.db2.gz	VJYZUHWESLQUGZ-UHFFFAOYSA-N	-2	3	344.393	-0.398	20	0		EBADHL
Cn1cc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])nc1Cl	ZINC000776437611	583404112	/nfs/dbraw/zinc/40/41/12/583404112.db2.gz	YDACGWNXWIKEND-RXMQYKEDSA-N	-3	3	325.730	-0.330	20	0		EBADHL
COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-]	ZINC000776627936	583407728	/nfs/dbraw/zinc/40/77/28/583407728.db2.gz	YPXOEQIUYQDAGR-VIFPVBQESA-N	-2	3	335.309	-0.010	20	0		EBADHL
O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cc(=O)[nH][n-]1	ZINC000799853086	583613704	/nfs/dbraw/zinc/61/37/04/583613704.db2.gz	ITYMCVFKRMTJBF-UHFFFAOYSA-N	-2	3	346.315	-0.765	20	0		EBADHL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc2n[n-]nc2cc1F	ZINC000800551659	583615924	/nfs/dbraw/zinc/61/59/24/583615924.db2.gz	OXFYQTFCROKQSC-UHFFFAOYSA-N	-2	3	329.313	-0.707	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(NC(=O)NN2CC(=O)[N-]C2=O)ccc1F	ZINC000806544610	583651246	/nfs/dbraw/zinc/65/12/46/583651246.db2.gz	KIHIVMOIJGOXQL-UHFFFAOYSA-N	-2	3	345.312	-0.678	20	0		EBADHL
O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-]	ZINC000816733818	583720725	/nfs/dbraw/zinc/72/07/25/583720725.db2.gz	NBUYRCLPBWMLNU-VIFPVBQESA-N	-2	3	333.304	-0.230	20	0		EBADHL
CNS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1	ZINC000820281417	583770354	/nfs/dbraw/zinc/77/03/54/583770354.db2.gz	AYTULMINZWAGIG-UHFFFAOYSA-N	-2	3	347.740	-0.365	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000820541461	583775246	/nfs/dbraw/zinc/77/52/46/583775246.db2.gz	FWBWUPROYHCHJP-BXKDBHETSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000820541461	583775248	/nfs/dbraw/zinc/77/52/48/583775248.db2.gz	FWBWUPROYHCHJP-BXKDBHETSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000820541463	583775366	/nfs/dbraw/zinc/77/53/66/583775366.db2.gz	FWBWUPROYHCHJP-CABZTGNLSA-N	-2	3	347.331	-0.054	20	0		EBADHL
C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000820541463	583775367	/nfs/dbraw/zinc/77/53/67/583775367.db2.gz	FWBWUPROYHCHJP-CABZTGNLSA-N	-2	3	347.331	-0.054	20	0		EBADHL
COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc([O-])n(C)c1=O	ZINC000821766046	583804110	/nfs/dbraw/zinc/80/41/10/583804110.db2.gz	QHAMWIILCZBSPP-UHFFFAOYSA-N	-2	3	343.303	-0.073	20	0		EBADHL
NC(=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F	ZINC000822868853	583820273	/nfs/dbraw/zinc/82/02/73/583820273.db2.gz	IWOMYHHVVZGTOU-UHFFFAOYSA-N	-2	3	332.292	-0.701	20	0		EBADHL
NC(=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F	ZINC000822868853	583820276	/nfs/dbraw/zinc/82/02/76/583820276.db2.gz	IWOMYHHVVZGTOU-UHFFFAOYSA-N	-2	3	332.292	-0.701	20	0		EBADHL
NC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1	ZINC000822885726	583820546	/nfs/dbraw/zinc/82/05/46/583820546.db2.gz	UUFAPXUECCZPKL-UHFFFAOYSA-N	-2	3	349.332	-0.568	20	0		EBADHL
O=C([O-])C[C@H]1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2)CCO1	ZINC000823387530	583828817	/nfs/dbraw/zinc/82/88/17/583828817.db2.gz	OAXNPPCGJABRSE-LBPRGKRZSA-N	-2	3	347.331	-0.052	20	0		EBADHL
O=C([O-])C[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1	ZINC000823387530	583828819	/nfs/dbraw/zinc/82/88/19/583828819.db2.gz	OAXNPPCGJABRSE-LBPRGKRZSA-N	-2	3	347.331	-0.052	20	0		EBADHL
CC(C)[C@@H](CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)NC(=O)[O-]	ZINC000824111253	583841430	/nfs/dbraw/zinc/84/14/30/583841430.db2.gz	QYPWDLULPOUZST-SECBINFHSA-N	-2	3	347.397	-0.893	20	0		EBADHL
C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1	ZINC000825285929	583857041	/nfs/dbraw/zinc/85/70/41/583857041.db2.gz	BGOYQSXKDIRSKW-ZCFIWIBFSA-N	-2	3	325.325	-0.022	20	0		EBADHL
Cn1[n-]c(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)nc1=O	ZINC000826366221	583895393	/nfs/dbraw/zinc/89/53/93/583895393.db2.gz	YANMFQLEWFSACA-UHFFFAOYSA-N	-2	3	342.367	-0.994	20	0		EBADHL
Cn1[n-]c(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)nc1=O	ZINC000826366221	583895395	/nfs/dbraw/zinc/89/53/95/583895395.db2.gz	YANMFQLEWFSACA-UHFFFAOYSA-N	-2	3	342.367	-0.994	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826449813	583902613	/nfs/dbraw/zinc/90/26/13/583902613.db2.gz	KQHFMCYOXZPBHW-SECBINFHSA-N	-2	3	340.365	-0.177	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1c[nH]c(-c2nn[n-]n2)c1	ZINC000826449813	583902614	/nfs/dbraw/zinc/90/26/14/583902614.db2.gz	KQHFMCYOXZPBHW-SECBINFHSA-N	-2	3	340.365	-0.177	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1	ZINC000826450023	583902625	/nfs/dbraw/zinc/90/26/25/583902625.db2.gz	UBZMLEMFMQTONT-SECBINFHSA-N	-2	3	337.361	-0.037	20	0		EBADHL
O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1	ZINC000826450023	583902627	/nfs/dbraw/zinc/90/26/27/583902627.db2.gz	UBZMLEMFMQTONT-SECBINFHSA-N	-2	3	337.361	-0.037	20	0		EBADHL
CCN(CC1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1)C(=O)[O-]	ZINC000827059274	583914597	/nfs/dbraw/zinc/91/45/97/583914597.db2.gz	JXYULRCZCOZSCX-UHFFFAOYSA-N	-2	3	326.353	-0.223	20	0		EBADHL
COC(=O)Cc1n[n-]c(NC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])n1	ZINC000828699725	583945665	/nfs/dbraw/zinc/94/56/65/583945665.db2.gz	KCYBDWHRTGEMEN-HZGVNTEJSA-N	-2	3	341.324	-0.038	20	0		EBADHL
COC(=O)Cc1nnc(NC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])[n-]1	ZINC000828699725	583945666	/nfs/dbraw/zinc/94/56/66/583945666.db2.gz	KCYBDWHRTGEMEN-HZGVNTEJSA-N	-2	3	341.324	-0.038	20	0		EBADHL
COC(=O)Cc1nc(NC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])n[n-]1	ZINC000828699725	583945667	/nfs/dbraw/zinc/94/56/67/583945667.db2.gz	KCYBDWHRTGEMEN-HZGVNTEJSA-N	-2	3	341.324	-0.038	20	0		EBADHL
CCOCCS(=O)(=O)[N-]CC(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC000830022052	583961994	/nfs/dbraw/zinc/96/19/94/583961994.db2.gz	PBYRYRNFLNHPGO-UHFFFAOYSA-N	-2	3	333.366	-0.084	20	0		EBADHL
C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1F	ZINC000831029553	583975033	/nfs/dbraw/zinc/97/50/33/583975033.db2.gz	VRZUMRMBBKQLHW-SNVBAGLBSA-N	-2	3	346.336	-0.341	20	0		EBADHL
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-]	ZINC000831138751	583977177	/nfs/dbraw/zinc/97/71/77/583977177.db2.gz	KNLVVPCQWOPRKA-RXMQYKEDSA-N	-2	3	325.730	-0.632	20	0		EBADHL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCn1ncnn1	ZINC000831939568	583993729	/nfs/dbraw/zinc/99/37/29/583993729.db2.gz	QAWXDOZUKDXHIT-UHFFFAOYSA-N	-2	3	333.351	-0.580	20	0		EBADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cc(C(=O)[O-])n(C)c2)c1	ZINC000833058166	584003925	/nfs/dbraw/zinc/00/39/25/584003925.db2.gz	SMAFDTPONOXWJL-UHFFFAOYSA-N	-2	3	341.349	-0.626	20	0		EBADHL
COC(=O)[C@@]1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCOC1	ZINC000833701962	584014167	/nfs/dbraw/zinc/01/41/67/584014167.db2.gz	KUHKJWBCFQRRJT-SNVBAGLBSA-N	-2	3	336.347	-0.548	20	0		EBADHL
CCC(CC)(CNC(=O)[O-])C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000833842337	584017205	/nfs/dbraw/zinc/01/72/05/584017205.db2.gz	TUCLTLITMDWRFK-CQSZACIVSA-N	-2	3	326.353	-0.129	20	0		EBADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)CCN(C)C(=O)[O-])cn1C	ZINC000833916023	584019691	/nfs/dbraw/zinc/01/96/91/584019691.db2.gz	NHBOHHOSBYECJP-UHFFFAOYSA-N	-2	3	347.397	-0.925	20	0		EBADHL
O=C([O-])N1CCN(C(=O)C[N-]S(=O)(=O)c2ccccn2)CC1	ZINC000834114422	584026297	/nfs/dbraw/zinc/02/62/97/584026297.db2.gz	BZAFYIMQEBFAOU-UHFFFAOYSA-N	-2	3	328.350	-0.818	20	0		EBADHL
O=C([O-])NC[C@@H](C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccccc1	ZINC000834211558	584029472	/nfs/dbraw/zinc/02/94/72/584029472.db2.gz	XOUDSVUPAPMPPC-VXGBXAGGSA-N	-2	3	346.343	-0.200	20	0		EBADHL
O=C([O-])N1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1	ZINC000834289918	584030680	/nfs/dbraw/zinc/03/06/80/584030680.db2.gz	OZQZEKJDLZZSNE-WDEREUQCSA-N	-2	3	338.364	-0.035	20	0		EBADHL
O=C([O-])N1CCC[C@@H](n2cc(C(=O)[N-]N3CC(=O)NC3=O)cn2)C1	ZINC000834290901	584030866	/nfs/dbraw/zinc/03/08/66/584030866.db2.gz	YQOSYRZIOBQWMI-SECBINFHSA-N	-2	3	336.308	-0.605	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1	ZINC000737014485	598739973	/nfs/dbraw/zinc/73/99/73/598739973.db2.gz	QLBKWVZCIAIMKK-VOTSOKGWSA-N	-2	3	337.361	-0.028	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1	ZINC000737014485	598739974	/nfs/dbraw/zinc/73/99/74/598739974.db2.gz	QLBKWVZCIAIMKK-VOTSOKGWSA-N	-2	3	337.361	-0.028	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1	ZINC000737012905	598740016	/nfs/dbraw/zinc/74/00/16/598740016.db2.gz	AJPBEKMDCHLBBY-UHFFFAOYSA-N	-2	3	339.377	-0.108	20	0		EBADHL
COCCS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1	ZINC000737012905	598740017	/nfs/dbraw/zinc/74/00/17/598740017.db2.gz	AJPBEKMDCHLBBY-UHFFFAOYSA-N	-2	3	339.377	-0.108	20	0		EBADHL
O=C([O-])CCNC(=O)CC[N-]S(=O)(=O)c1cccnc1Cl	ZINC000739733473	599707599	/nfs/dbraw/zinc/70/75/99/599707599.db2.gz	DAAIBNVPWGHKET-UHFFFAOYSA-N	-2	3	335.769	-0.006	20	0		EBADHL
COc1cc[n-]c(=NNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1	ZINC000052582229	649955061	/nfs/dbraw/zinc/95/50/61/649955061.db2.gz	JSCIIJNFCOKQNI-UHFFFAOYSA-N	-2	3	329.276	-0.421	20	0		EBADHL
CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O	ZINC000068216324	649965296	/nfs/dbraw/zinc/96/52/96/649965296.db2.gz	NMGWLUVXDVCKRA-UHFFFAOYSA-N	-2	3	326.334	-0.527	20	0		EBADHL
O=C(NC[C@H]1CCN1C(=O)c1ccccc1[O-])c1n[nH]c(=O)[n-]c1=O	ZINC000951298189	654456526	/nfs/dbraw/zinc/45/65/26/654456526.db2.gz	STEQNZMPVSXACW-MRVPVSSYSA-N	-2	3	345.315	-0.367	20	0		EBADHL
Cc1[nH]nc(C(=O)N(C)C2CN(C(=O)c3c(C)nc[n-]c3=O)C2)c1[O-]	ZINC000954071347	654680454	/nfs/dbraw/zinc/68/04/54/654680454.db2.gz	LQFJQXYAXDWBTL-UHFFFAOYSA-N	-2	3	346.347	-0.176	20	0		EBADHL
C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnc[n-]c1=O	ZINC000966892462	724777236	/nfs/dbraw/zinc/77/72/36/724777236.db2.gz	NAMMEEABBRXXRM-WCBMZHEXSA-N	-2	3	333.352	-0.354	20	0		EBADHL
O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1ccccc1[O-]	ZINC000957887069	722258571	/nfs/dbraw/zinc/25/85/71/722258571.db2.gz	RJRJUVJDPQAHOR-CABZTGNLSA-N	-2	3	333.348	-0.561	20	0		EBADHL
O=C(c1cnc[n-]c1=O)N1CCN(C(=O)c2ncccc2[O-])CC1	ZINC001011037820	727187143	/nfs/dbraw/zinc/18/71/43/727187143.db2.gz	OHJTZFFGKVGEEM-UHFFFAOYSA-N	-2	3	329.316	-0.119	20	0		EBADHL
Cn1[n-]c(CN2CCC3(CN(C(=O)c4ncccc4[O-])C3)C2)nc1=O	ZINC001072653551	741453618	/nfs/dbraw/zinc/45/36/18/741453618.db2.gz	HELLEUPJTYLWJB-UHFFFAOYSA-N	-2	3	344.375	-0.443	20	0		EBADHL
O=C(c1ncccc1[O-])N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1	ZINC001078385816	743619645	/nfs/dbraw/zinc/61/96/45/743619645.db2.gz	QOJLECGESXROMK-JTQLQIEISA-N	-2	3	348.363	-0.368	20	0		EBADHL
Cc1n[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)c1[O-]	ZINC000982907240	806770926	/nfs/dbraw/zinc/77/09/26/806770926.db2.gz	KFYKJBQHVUMIBW-SECBINFHSA-N	-2	3	346.347	-0.189	20	0		EBADHL
Cc1nc(C)c(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)c(=O)[n-]1	ZINC001016241938	810712240	/nfs/dbraw/zinc/71/22/40/810712240.db2.gz	FVFOFYKNRMTWHJ-JTQLQIEISA-N	-2	3	347.379	-0.444	20	0		EBADHL
Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)c1[O-]	ZINC001036986162	811325656	/nfs/dbraw/zinc/32/56/56/811325656.db2.gz	RNJZWHMNFCIONS-RKDXNWHRSA-N	-2	3	335.368	-0.064	20	0		EBADHL
O=C(Oc1nc2ccc(Cl)nc2[n-]1)[C@H](O)COP(=O)([O-])[O-]	ZINC001226587954	811872431	/nfs/dbraw/zinc/87/24/31/811872431.db2.gz	NFJDFODYIQTHNN-RXMQYKEDSA-N	-3	3	337.612	-0.013	20	0		EBADHL
CN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1cc(=O)[n-]c(C2CC2)n1	ZINC001267388003	813871895	/nfs/dbraw/zinc/87/18/95/813871895.db2.gz	POLYLSPILLFUFT-UHFFFAOYSA-N	-2	3	333.352	-0.255	20	0		EBADHL
Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2Cc2nc(=O)n(C)[n-]2)c1[O-]	ZINC001085549811	816069448	/nfs/dbraw/zinc/06/94/48/816069448.db2.gz	DZIOMQZWJMJWER-VIFPVBQESA-N	-2	3	335.368	-0.808	20	0		EBADHL
O=S(=O)([N-]c1cnn(CCO)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC001185566889	833361563	/nfs/dbraw/zinc/36/15/63/833361563.db2.gz	RMNZBRDRXLWJTP-UHFFFAOYSA-N	-2	3	335.349	-0.144	20	0		EBADHL
O=S(=O)([N-]c1cnn(CCO)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC001185566889	833361564	/nfs/dbraw/zinc/36/15/64/833361564.db2.gz	RMNZBRDRXLWJTP-UHFFFAOYSA-N	-2	3	335.349	-0.144	20	0		EBADHL
CN1CCC(CO)(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])CC1	ZINC001148933117	830558517	/nfs/dbraw/zinc/55/85/17/830558517.db2.gz	FKSUEAPGHBXLKP-UHFFFAOYSA-N	-2	3	344.389	-0.175	20	0		EBADHL
Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)[N-]c1nnn(C)n1	ZINC001570935936	949002965	/nfs/dbraw/zinc/00/29/65/949002965.db2.gz	RRSYUHNIPKTTDX-UHFFFAOYSA-N	-2	3	339.316	-0.361	20	0		EBADHL
Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)[N-]c1nnn(C)n1	ZINC001570935936	949002979	/nfs/dbraw/zinc/00/29/79/949002979.db2.gz	RRSYUHNIPKTTDX-UHFFFAOYSA-N	-2	3	339.316	-0.361	20	0		EBADHL
CC[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC001589526265	955119231	/nfs/dbraw/zinc/11/92/31/955119231.db2.gz	PDEOQSJQFWKLFL-ZCFIWIBFSA-N	-2	3	348.153	-0.062	20	0		EBADHL
Cc1nocc1S(=O)(=O)[N-][C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594501349	955323524	/nfs/dbraw/zinc/32/35/24/955323524.db2.gz	IKFXLSSGDSNMQN-VIFPVBQESA-N	-2	3	331.350	-0.273	20	0		EBADHL
COC(=O)CC[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)[O-]	ZINC001593844978	955403336	/nfs/dbraw/zinc/40/33/36/955403336.db2.gz	BCRZKCNABRZJFF-NSHDSACASA-N	-2	3	338.316	-0.355	20	0		EBADHL
COC[C@@]1(C(=O)[O-])CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CCO1	ZINC001593973820	956645535	/nfs/dbraw/zinc/64/55/35/956645535.db2.gz	LTUBRKQURNNFOC-OAHLLOKOSA-N	-2	3	339.348	-0.330	20	0		EBADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC001594498819	959771190	/nfs/dbraw/zinc/77/11/90/959771190.db2.gz	LBBKZBWISDJQHM-SSDOTTSWSA-N	-2	3	333.366	-0.251	20	0		EBADHL
O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21	ZINC001571200970	962363271	/nfs/dbraw/zinc/36/32/71/962363271.db2.gz	RBKGFKVONSCXDM-FZHDAFOHSA-N	-2	3	332.316	-0.911	20	0		EBADHL
CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001571211889	962460061	/nfs/dbraw/zinc/46/00/61/962460061.db2.gz	IMZHGTXVPIDPEG-UHFFFAOYSA-N	-2	3	332.382	-0.143	20	0		EBADHL
O=C([O-])C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(O)cc1[O-]	ZINC000316741088	964048058	/nfs/dbraw/zinc/04/80/58/964048058.db2.gz	OYXIMQNMQUWYCF-MRVPVSSYSA-N	-2	3	329.330	-0.188	20	0		EBADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1CN2CCN1CC2	ZINC000394757199	972752903	/nfs/dbraw/zinc/75/29/03/972752903.db2.gz	SHSKCZYKGZKBQK-QMMMGPOBSA-N	-2	3	332.407	-0.881	20	0		EBADHL
C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1nc(C(F)(F)F)n[n-]1	ZINC001593049608	980337850	/nfs/dbraw/zinc/33/78/50/980337850.db2.gz	FJSSIPXUFWQNNW-BYPYZUCNSA-N	-2	3	333.230	-0.009	20	0		EBADHL
CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001596515303	984291683	/nfs/dbraw/zinc/29/16/83/984291683.db2.gz	DZSFTIBLPFPOCY-JTQLQIEISA-N	-2	3	338.363	-0.566	20	0		EBADHL
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCCOC1	ZINC001598283280	991172298	/nfs/dbraw/zinc/17/22/98/991172298.db2.gz	GPYKLPRWJTVNGU-CFMSYZGJSA-N	-2	3	343.427	-0.581	20	0		EBADHL
CS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1	ZINC001599754120	992030118	/nfs/dbraw/zinc/03/01/18/992030118.db2.gz	MAYLYBLWZKYBRF-UHFFFAOYSA-N	-2	3	338.363	-0.853	20	0		EBADHL
CN(CCO)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC001598496328	992368732	/nfs/dbraw/zinc/36/87/32/992368732.db2.gz	AKPCYTWYVUAZGB-UHFFFAOYSA-N	-2	3	338.332	-0.135	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H]1CN(C)CCN1C	ZINC001593325208	994864411	/nfs/dbraw/zinc/86/44/11/994864411.db2.gz	IFZBFCIGZLFNGB-PSASIEDQSA-N	-2	3	331.398	-0.980	20	0		EBADHL
C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@@H]1CN(C)CCN1C	ZINC001593347699	994960258	/nfs/dbraw/zinc/96/02/58/994960258.db2.gz	QCPDLWYCTWDJPL-BDAKNGLRSA-N	-2	3	348.450	-0.246	20	0		EBADHL
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC	ZINC001598857369	996649300	/nfs/dbraw/zinc/64/93/00/996649300.db2.gz	KUQUVSQZZSNUBV-MRVPVSSYSA-N	-2	3	349.317	-0.249	20	0		EBADHL
CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@@](C)(C(=O)[O-])C1	ZINC001599129614	997918464	/nfs/dbraw/zinc/91/84/64/997918464.db2.gz	IASCIWNUNGTVNL-LKFCYVNXSA-N	-2	3	332.320	-0.034	20	0		EBADHL
CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@@](C)(C(=O)[O-])C1	ZINC001599129614	997918472	/nfs/dbraw/zinc/91/84/72/997918472.db2.gz	IASCIWNUNGTVNL-LKFCYVNXSA-N	-2	3	332.320	-0.034	20	0		EBADHL
Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)CCCc3nnn[n-]3)C2)n1	ZINC001412608142	1129575231	/nfs/dbraw/zinc/57/52/31/1129575231.db2.gz	UABKKZUMMJRELS-SNVBAGLBSA-N	-2	3	332.368	-0.278	20	0		EBADHL
CCn1[n-]nnc1=NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC001413567824	1130137087	/nfs/dbraw/zinc/13/70/87/1130137087.db2.gz	LRNSVYVICZCDKC-UHFFFAOYSA-N	-2	3	345.363	-0.190	20	0		EBADHL
O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CNCCC2=O)c(F)cc1F	ZINC001238628829	1130533493	/nfs/dbraw/zinc/53/34/93/1130533493.db2.gz	UPQIOVAWAQVDSZ-SECBINFHSA-N	-2	3	334.300	-0.128	20	0		EBADHL
Cn1ncc(S(=O)(=O)[N-]Cc2nc(=O)o[n-]2)c1Br	ZINC001365412170	1132657311	/nfs/dbraw/zinc/65/73/11/1132657311.db2.gz	DCEQBTSSMHTGQY-UHFFFAOYSA-N	-2	3	338.143	-0.663	20	0		EBADHL