smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCc2cc(CNS(=O)(=O)c3cccc(C(=O)[O-])c3)ccc21	ZINC000373610369	250241697	/nfs/dbraw/zinc/24/16/97/250241697.db2.gz	QQSFGHHLNQKSIF-UHFFFAOYSA-N	-1	0	346.408	1.856	20	10		EDCDRM
NC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000029322808	441456417	/nfs/dbraw/zinc/45/64/17/441456417.db2.gz	LGDDJWPIMCFRAA-UHFFFAOYSA-N	-1	0	349.397	1.983	20	10		EDCDRM
COc1c(O)c(CN2CCS(=O)(=O)C(C)(C)C2)ccc1[N+](=O)[O-]	ZINC000278207426	444117881	/nfs/dbraw/zinc/11/78/81/444117881.db2.gz	JTKFDACOHNUXJX-UHFFFAOYSA-N	-1	0	344.389	1.318	20	10		EDCDRM
O=C(Nc1nncs1)C1CCN(C(=O)C2=CC(=O)CS2)CC1	ZINC000731870928	578681760	/nfs/dbraw/zinc/68/17/60/578681760.db2.gz	RWQIPJPXSYWQBH-UHFFFAOYSA-N	-1	0	338.414	1.796	20	10		EDCDRM
O=S(=O)([N-]c1ccc(OC2COC2)cc1)c1cccc2nonc21	ZINC000780416897	580521952	/nfs/dbraw/zinc/52/19/52/580521952.db2.gz	QBKFBWXXLVRGJG-UHFFFAOYSA-N	-1	0	347.352	1.801	20	10		EDCDRM
O=S(=O)([N-]c1cccc2c1OCC[C@@H]2O)c1cccc2nonc21	ZINC000795346957	580919639	/nfs/dbraw/zinc/91/96/39/580919639.db2.gz	BFPZYHWTAQEFJW-LBPRGKRZSA-N	-1	0	347.352	1.840	20	10		EDCDRM
Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(F)cc(F)c2[O-])cn1	ZINC000895378987	591737093	/nfs/dbraw/zinc/73/70/93/591737093.db2.gz	LAABTUJPNOCOPU-PSLXWICFSA-N	-1	0	341.383	1.710	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)c3cc(C(=O)[O-])nn3C)CC2)cc1	ZINC000901608739	592411577	/nfs/dbraw/zinc/41/15/77/592411577.db2.gz	NWGSBMSIFXKKRL-UHFFFAOYSA-N	-1	0	344.371	1.089	20	10		EDCDRM
COc1cc(O)ccc1[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1	ZINC000901703425	592435058	/nfs/dbraw/zinc/43/50/58/592435058.db2.gz	TZCLZGHPFMYEPT-HNNXBMFYSA-N	-1	0	345.417	1.727	20	10		EDCDRM
CO[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)[C@H](C(=O)[O-])C1	ZINC000909042605	592711979	/nfs/dbraw/zinc/71/19/79/592711979.db2.gz	IDLUSZJKTUJAMF-CVEARBPZSA-N	-1	0	349.431	1.835	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@@H](C)C(=O)[O-])C2)cc1	ZINC000909130461	592737254	/nfs/dbraw/zinc/73/72/54/592737254.db2.gz	AAXINAASAIUJRY-QWHCGFSZSA-N	-1	0	335.404	1.636	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)C34CC(C(=O)[O-])(C3)C4)C2)cc1	ZINC000909850112	592853052	/nfs/dbraw/zinc/85/30/52/592853052.db2.gz	BFAMTACPDGHKTJ-XYJCDUHRSA-N	-1	0	344.411	1.893	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)c3cc(C(=O)[O-])ccn3)CC2)cc1	ZINC000911093988	592922112	/nfs/dbraw/zinc/92/21/12/592922112.db2.gz	FOOWZWGEVBCVFW-UHFFFAOYSA-N	-1	0	341.367	1.751	20	10		EDCDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])C1=CCS(=O)(=O)C1	ZINC000822948992	594127010	/nfs/dbraw/zinc/12/70/10/594127010.db2.gz	CVCXGYLDNXESSP-UHFFFAOYSA-N	-1	0	336.196	1.670	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000830072894	594330984	/nfs/dbraw/zinc/33/09/84/594330984.db2.gz	LCAIYQMPRNICSK-HNNXBMFYSA-N	-1	0	334.420	1.955	20	10		EDCDRM
CC[C@H](C)[C@H](NC(=O)CN(C)c1ccc(OC)c(F)c1)C(=O)[O-]	ZINC000828708717	594484354	/nfs/dbraw/zinc/48/43/54/594484354.db2.gz	MMQKHQOUIUVVKY-BONVTDFDSA-N	-1	0	326.368	1.886	20	10		EDCDRM
CCCN(Cc1ccccc1O)C(=O)CN1CCC(NC(=O)[O-])CC1	ZINC000826911765	594600423	/nfs/dbraw/zinc/60/04/23/594600423.db2.gz	FCNAAOFRPFJMDL-UHFFFAOYSA-N	-1	0	349.431	1.863	20	10		EDCDRM
O=C([O-])N1CC(CNC(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000834050340	595000924	/nfs/dbraw/zinc/00/09/24/595000924.db2.gz	VPIHQCWRENOEAG-UHFFFAOYSA-N	-1	0	333.388	1.680	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1	ZINC000844211527	595303384	/nfs/dbraw/zinc/30/33/84/595303384.db2.gz	COSKBWSKDCRRPX-KMOQFTEPSA-N	-1	0	329.316	1.736	20	10		EDCDRM
CC1(C)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](CO)O1	ZINC000844214816	595304153	/nfs/dbraw/zinc/30/41/53/595304153.db2.gz	VENGHUAXMBGXNM-RNZFLTOJSA-N	-1	0	336.344	1.669	20	10		EDCDRM
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000848611027	595417329	/nfs/dbraw/zinc/41/73/29/595417329.db2.gz	YBFNTBMXHAOYSW-CYBMUJFWSA-N	-1	0	349.431	1.327	20	10		EDCDRM
O=C(NCCN1CCSCC1)NCc1cc(Cl)ccc1O	ZINC000844970323	595421297	/nfs/dbraw/zinc/42/12/97/595421297.db2.gz	NLMDICDVKRVCPG-UHFFFAOYSA-N	-1	0	329.853	1.894	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	ZINC000849349140	595509176	/nfs/dbraw/zinc/50/91/76/595509176.db2.gz	RRYGVWNHIOLCFR-QDOCKXBDSA-N	-1	0	343.343	1.811	20	10		EDCDRM
O=C([O-])[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	ZINC000852951966	595626382	/nfs/dbraw/zinc/62/63/82/595626382.db2.gz	IBCFHBKPGNQONV-OAHLLOKOSA-N	-1	0	334.441	1.967	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)C2)cc1	ZINC000852954957	595628472	/nfs/dbraw/zinc/62/84/72/595628472.db2.gz	YKHBXGQJYJPZEF-KZULUSFZSA-N	-1	0	332.400	1.891	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)cc1	ZINC000874416319	597067742	/nfs/dbraw/zinc/06/77/42/597067742.db2.gz	ISAGZSZJRMRFTQ-RWMBFGLXSA-N	-1	0	333.388	1.436	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ncc(C)s2)cc1	ZINC000872959641	597140764	/nfs/dbraw/zinc/14/07/64/597140764.db2.gz	AKQFLYDZPTZHHA-UHFFFAOYSA-N	-1	0	349.412	1.668	20	10		EDCDRM
CC[C@@H](CSC)NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872974125	597146430	/nfs/dbraw/zinc/14/64/30/597146430.db2.gz	PMVJQWAQSPLFQC-LBPRGKRZSA-N	-1	0	340.445	1.844	20	10		EDCDRM
Cn1nccc1[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1[O-]	ZINC000883144204	597665912	/nfs/dbraw/zinc/66/59/12/597665912.db2.gz	IEZPUDKKGMRCDU-LLVKDONJSA-N	-1	0	344.184	1.851	20	10		EDCDRM
CN(Cc1cccc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000132405456	597842345	/nfs/dbraw/zinc/84/23/45/597842345.db2.gz	OMSFARPTZAKUJV-SNVBAGLBSA-N	-1	0	334.235	1.774	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000739616331	602689396	/nfs/dbraw/zinc/68/93/96/602689396.db2.gz	ADIOKYWANDATOQ-AWEZNQCLSA-N	-1	0	334.420	1.942	20	10		EDCDRM
CC(=O)NC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000179710692	442492244	/nfs/dbraw/zinc/49/22/44/442492244.db2.gz	XFYJNBUMYAZAPO-GFCCVEGCSA-N	-1	0	343.767	1.291	20	10		EDCDRM
C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1(=O)=O	ZINC000192047178	442578304	/nfs/dbraw/zinc/57/83/04/442578304.db2.gz	CJMVBOYOZITGRW-VIFPVBQESA-N	-1	0	348.808	1.963	20	10		EDCDRM
CS(=O)(=O)C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000292880106	443868265	/nfs/dbraw/zinc/86/82/65/443868265.db2.gz	XNQRIKBHAGEPGK-SECBINFHSA-N	-1	0	348.808	1.820	20	10		EDCDRM
O=C([O-])N1CCOC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	ZINC000740451484	579349202	/nfs/dbraw/zinc/34/92/02/579349202.db2.gz	VCVSSXQZHYZSEE-INIZCTEOSA-N	-1	0	347.415	1.672	20	10		EDCDRM
CC[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000739529077	579215097	/nfs/dbraw/zinc/21/50/97/579215097.db2.gz	VEYMUVZNNNGHEV-INIZCTEOSA-N	-1	0	349.431	1.558	20	10		EDCDRM
CN(CCCNC(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)[O-]	ZINC000739672856	579234342	/nfs/dbraw/zinc/23/43/42/579234342.db2.gz	DXXUOEFASVKPCP-UHFFFAOYSA-N	-1	0	332.404	1.862	20	10		EDCDRM
COc1ccc(-n2c(C)cc(C(=O)NCc3n[nH]c(=O)[n-]3)c2C)cc1	ZINC000748057001	579667930	/nfs/dbraw/zinc/66/79/30/579667930.db2.gz	IMKSYUIXHJQEQY-UHFFFAOYSA-N	-1	0	341.371	1.856	20	10		EDCDRM
NC(=O)c1cc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])on1	ZINC000757906179	579972780	/nfs/dbraw/zinc/97/27/80/579972780.db2.gz	LNVKJTSXSJNJHO-UHFFFAOYSA-N	-1	0	326.696	1.331	20	10		EDCDRM
O=C([O-])Cn1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)nn1	ZINC000759075070	579997890	/nfs/dbraw/zinc/99/78/90/579997890.db2.gz	ZZNLMKRVYQHTJN-WMZJFQQLSA-N	-1	0	347.381	1.164	20	10		EDCDRM
O=S(=O)([N-]c1ccccc1-c1nc[nH]n1)c1cccc2nonc21	ZINC000765648460	580147270	/nfs/dbraw/zinc/14/72/70/580147270.db2.gz	KTZMNVDTRDTCIP-UHFFFAOYSA-N	-1	0	342.340	1.809	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1	ZINC000775287052	580387346	/nfs/dbraw/zinc/38/73/46/580387346.db2.gz	ICNPWMMXBNJOFJ-UHFFFAOYSA-N	-1	0	339.373	1.826	20	10		EDCDRM
CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2)s1	ZINC000776745451	580427593	/nfs/dbraw/zinc/42/75/93/580427593.db2.gz	LCNZTVCXVGVLHB-UHFFFAOYSA-N	-1	0	327.387	1.916	20	10		EDCDRM
C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)[O-]	ZINC000780611059	580528703	/nfs/dbraw/zinc/52/87/03/580528703.db2.gz	SBLXJLKJHRMVAN-JTQLQIEISA-N	-1	0	339.367	1.059	20	10		EDCDRM
COC(=O)c1occc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000798178098	580989943	/nfs/dbraw/zinc/98/99/43/580989943.db2.gz	VXYVWZRRCCOTKF-QPJJXVBHSA-N	-1	0	327.339	1.352	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNc2nc3[nH][nH]cc-3c(=O)n2)N(C)C)cc1	ZINC000897525672	591529672	/nfs/dbraw/zinc/52/96/72/591529672.db2.gz	SFZLJSRABXVWDJ-CQSZACIVSA-N	-1	0	341.419	1.213	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)CCOC[C@H]1CCCO1	ZINC000911487020	592928870	/nfs/dbraw/zinc/92/88/70/592928870.db2.gz	SBYUJNFBQDJEGD-CQSZACIVSA-N	-1	0	337.372	1.391	20	10		EDCDRM
Cn1nc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)c2c1CCCC2	ZINC000911488261	592929017	/nfs/dbraw/zinc/92/90/17/592929017.db2.gz	JIMTWXDAVCDULV-UHFFFAOYSA-N	-1	0	343.383	1.732	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1Cc2ccccc2CO1	ZINC000911494199	592930832	/nfs/dbraw/zinc/93/08/32/592930832.db2.gz	SVQLRSOCMSFVER-KRWDZBQOSA-N	-1	0	341.363	1.947	20	10		EDCDRM
O=C(Cn1cnc([N+](=O)[O-])n1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000813685072	593548620	/nfs/dbraw/zinc/54/86/20/593548620.db2.gz	BOVTWEXQWDGCAR-UHFFFAOYSA-N	-1	0	346.130	1.515	20	10		EDCDRM
CN(Cc1c([O-])ccc(Cl)c1F)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000814171410	593577561	/nfs/dbraw/zinc/57/75/61/593577561.db2.gz	NMHIOTWGUWFWRL-VIFPVBQESA-N	-1	0	336.816	1.650	20	10		EDCDRM
CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)CCC(=O)[O-])cc1	ZINC000817892743	593646054	/nfs/dbraw/zinc/64/60/54/593646054.db2.gz	PINPJRLYVPUDJB-UHFFFAOYSA-N	-1	0	349.431	1.424	20	10		EDCDRM
CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000817897286	593646672	/nfs/dbraw/zinc/64/66/72/593646672.db2.gz	JMMHGHCTVHRAHD-GFCCVEGCSA-N	-1	0	336.388	1.310	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@H](C(=O)[O-])C3)C2)cc1	ZINC000818625177	593708542	/nfs/dbraw/zinc/70/85/42/593708542.db2.gz	VSXGCXHGQIPIQY-KBPBESRZSA-N	-1	0	347.415	1.638	20	10		EDCDRM
C[C@@H](CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(=O)[O-]	ZINC000827533929	594226273	/nfs/dbraw/zinc/22/62/73/594226273.db2.gz	SGGRIZUHLGRTNF-LBPRGKRZSA-N	-1	0	340.445	1.768	20	10		EDCDRM
O=C(Nc1nnc(C2=S=CC=C2)[n-]1)c1ccnn1C1CCOCC1	ZINC000825779927	594244794	/nfs/dbraw/zinc/24/47/94/594244794.db2.gz	RWYSLPYGBZMYRJ-UHFFFAOYSA-N	-1	0	344.400	1.231	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)C2(O)CCCCC2)NC(=O)[O-])cc1	ZINC000828055239	594331834	/nfs/dbraw/zinc/33/18/34/594331834.db2.gz	GGVZPINKEQRMFK-HNNXBMFYSA-N	-1	0	349.431	1.873	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2cnccn2)NC(=O)[O-])cc1	ZINC000828064776	594333677	/nfs/dbraw/zinc/33/36/77/594333677.db2.gz	XZBUKBQUPALIIH-ZDUSSCGKSA-N	-1	0	329.360	1.281	20	10		EDCDRM
C[C@H](CC(=O)[O-])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000827295010	594659227	/nfs/dbraw/zinc/65/92/27/594659227.db2.gz	AZQWDTLPWBYINL-OCCSQVGLSA-N	-1	0	347.415	1.115	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)C3(C(=O)[O-])CCC3)C2)cc1	ZINC000844155041	595286422	/nfs/dbraw/zinc/28/64/22/595286422.db2.gz	GEXHKCGTFCITHZ-ZDUSSCGKSA-N	-1	0	332.400	1.893	20	10		EDCDRM
NC(=O)c1cccc2c1CC[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2	ZINC000853621733	595835949	/nfs/dbraw/zinc/83/59/49/595835949.db2.gz	GSNDCSYHNMHSTR-QGZVFWFLSA-N	-1	0	340.379	1.475	20	10		EDCDRM
COCCN(Cc1cnc(C(=O)[O-])cn1)c1ccc(OC)c(OC)c1	ZINC000863464565	596591262	/nfs/dbraw/zinc/59/12/62/596591262.db2.gz	PZQSIUGITGDVNS-UHFFFAOYSA-N	-1	0	347.371	1.845	20	10		EDCDRM
O=c1cc(C[C@H]2CCCO2)[n-]n1C1=NS(=O)(=O)c2ccccc21	ZINC000871946955	596755325	/nfs/dbraw/zinc/75/53/25/596755325.db2.gz	LIPPZZAHUSFUMY-LLVKDONJSA-N	-1	0	333.369	1.293	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1	ZINC000866115633	596794210	/nfs/dbraw/zinc/79/42/10/596794210.db2.gz	BTLCAJRWXZJBDB-ZDUSSCGKSA-N	-1	0	344.419	1.666	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CC[C@@H]3C(=O)[O-])C2)cc1	ZINC000872729728	597049084	/nfs/dbraw/zinc/04/90/84/597049084.db2.gz	CKDWGDOPHWBLRK-MAZHCROVSA-N	-1	0	332.400	1.749	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@]2(C)CCOC2)cc1	ZINC000872933262	597131165	/nfs/dbraw/zinc/13/11/65/597131165.db2.gz	WJJXEYGFAKQGGL-QGZVFWFLSA-N	-1	0	336.388	1.129	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H](C)C[C@@H](C)O)cc1	ZINC000872937373	597132390	/nfs/dbraw/zinc/13/23/90/597132390.db2.gz	LROJHDIJYUEBAN-QWHCGFSZSA-N	-1	0	338.404	1.109	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000739616332	602689548	/nfs/dbraw/zinc/68/95/48/602689548.db2.gz	ADIOKYWANDATOQ-CQSZACIVSA-N	-1	0	334.420	1.942	20	10		EDCDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	ZINC000739202430	603108796	/nfs/dbraw/zinc/10/87/96/603108796.db2.gz	OACWAAFJLQMHCK-FZMZJTMJSA-N	-1	0	335.404	1.872	20	10		EDCDRM
O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)N1CCOCC1	ZINC000111913565	237120536	/nfs/dbraw/zinc/12/05/36/237120536.db2.gz	UJTACTUCXLREAN-UHFFFAOYSA-N	-1	0	327.189	1.688	20	10		EDCDRM
Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000063878202	441360673	/nfs/dbraw/zinc/36/06/73/441360673.db2.gz	JHGNYSSIERIRPN-UHFFFAOYSA-N	-1	0	348.409	1.899	20	10		EDCDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCO[C@]3(CCOC3)C2)c1[O-]	ZINC000187537815	442680418	/nfs/dbraw/zinc/68/04/18/442680418.db2.gz	XYYGKIGGZVJIGI-CQSZACIVSA-N	-1	0	328.752	1.945	20	10		EDCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2C[C@H](O)Cn1cccn1	ZINC000740674451	579376914	/nfs/dbraw/zinc/37/69/14/579376914.db2.gz	QMWRMHYWSYNIMD-HNNXBMFYSA-N	-1	0	330.388	1.464	20	10		EDCDRM
O=C([N-]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(F)(F)F	ZINC000725887237	578298494	/nfs/dbraw/zinc/29/84/94/578298494.db2.gz	JYTDHQOQSKFNPU-UHFFFAOYSA-N	-1	0	336.335	1.100	20	10		EDCDRM
CCN(CCNC(=O)NCc1ccc2c(c1)CCCN2C)C(=O)[O-]	ZINC000739429986	579204811	/nfs/dbraw/zinc/20/48/11/579204811.db2.gz	BPINGPMPXKRFSJ-UHFFFAOYSA-N	-1	0	334.420	1.868	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NC(=O)NCCN(C(=O)[O-])C2CC2)c1	ZINC000739925178	579268748	/nfs/dbraw/zinc/26/87/48/579268748.db2.gz	HQLOYDXNNVUHJB-SNVBAGLBSA-N	-1	0	337.376	1.903	20	10		EDCDRM
NC(=O)NCc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765060357	580134264	/nfs/dbraw/zinc/13/42/64/580134264.db2.gz	PFIUKBGDHLBIMN-UHFFFAOYSA-N	-1	0	347.356	1.192	20	10		EDCDRM
Cn1nc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000782324843	580571976	/nfs/dbraw/zinc/57/19/76/580571976.db2.gz	HTHMEXDTYSEFBC-XFFZJAGNSA-N	-1	0	347.172	1.644	20	10		EDCDRM
C[C@H](NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)c1ccc(N2CCOCC2)cc1	ZINC000785401839	580642492	/nfs/dbraw/zinc/64/24/92/580642492.db2.gz	NTHJBCRRFRKUIV-RCBQFDQVSA-N	-1	0	348.399	1.333	20	10		EDCDRM
CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000793465228	580844713	/nfs/dbraw/zinc/84/47/13/580844713.db2.gz	YOWQLONFNJVNDJ-UHFFFAOYSA-N	-1	0	348.340	1.742	20	10		EDCDRM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000797819957	580981709	/nfs/dbraw/zinc/98/17/09/580981709.db2.gz	YUOQULLJVWDGEG-UHFFFAOYSA-N	-1	0	341.345	1.020	20	10		EDCDRM
C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1ccc(N2CCOCC2)cc1	ZINC000901950393	591874133	/nfs/dbraw/zinc/87/41/33/591874133.db2.gz	NARAOKXOFJXSMU-VBHSOAQHSA-N	-1	0	332.400	1.811	20	10		EDCDRM
COC(=O)[C@@](C)(Cn1cccn1)NCc1ccc(F)c(F)c1[O-]	ZINC000898342944	591878578	/nfs/dbraw/zinc/87/85/78/591878578.db2.gz	PAPKINGSBCRETE-OAHLLOKOSA-N	-1	0	325.315	1.588	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2COC[C@H]2C2CC2)cc1	ZINC000899855384	591964376	/nfs/dbraw/zinc/96/43/76/591964376.db2.gz	VWVAJZDWSXYWRV-JKSUJKDBSA-N	-1	0	348.399	1.127	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)c(OC)c1	ZINC000902412652	591988541	/nfs/dbraw/zinc/98/85/41/591988541.db2.gz	MWXIJUMYSGUHSQ-UHFFFAOYSA-N	-1	0	334.372	1.217	20	10		EDCDRM
C[C@]1([C@H]2CCCN(C(=O)c3c(F)ccc(O)c3O)C2)COC(=O)N1	ZINC000900475073	592035390	/nfs/dbraw/zinc/03/53/90/592035390.db2.gz	QZJNQXPQEPWUON-XXFAHNHDSA-N	-1	0	338.335	1.588	20	10		EDCDRM
COC(=O)C1CC2(C1)C[N@H+](Cc1cccc(F)c1[O-])C[C@H]2C(=O)[O-]	ZINC000903695274	592277176	/nfs/dbraw/zinc/27/71/76/592277176.db2.gz	TYZGFFYBCWECGZ-JKGQDXBKSA-N	-1	0	337.347	1.617	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1	ZINC000901605314	592410592	/nfs/dbraw/zinc/41/05/92/592410592.db2.gz	QYUXRLGBNMPVQW-HOCLYGCPSA-N	-1	0	334.416	1.981	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])cc1	ZINC000908758384	592600901	/nfs/dbraw/zinc/60/09/01/592600901.db2.gz	JSIFLLCSTGLKPV-HOCLYGCPSA-N	-1	0	349.431	1.822	20	10		EDCDRM
CC(C)Cn1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)cn1	ZINC000911494875	592930750	/nfs/dbraw/zinc/93/07/50/592930750.db2.gz	ZBWZANOIZYLLIE-UHFFFAOYSA-N	-1	0	331.372	1.972	20	10		EDCDRM
C[C@H](NC(=O)C(=O)[N-]OC1CCOCC1)c1ccc(N(C)C)cc1	ZINC000807674149	593189457	/nfs/dbraw/zinc/18/94/57/593189457.db2.gz	GXXUPKUIDFPDHP-LBPRGKRZSA-N	-1	0	335.404	1.157	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000817116361	593572490	/nfs/dbraw/zinc/57/24/90/593572490.db2.gz	TYQHJTIBWOCAJH-GOSISDBHSA-N	-1	0	347.415	1.000	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000817890814	593645689	/nfs/dbraw/zinc/64/56/89/593645689.db2.gz	ZRUZXHYZQISRKR-UHFFFAOYSA-N	-1	0	347.415	1.034	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)C2(C)CCOCC2)NC(=O)[O-])cc1	ZINC000828056759	594331962	/nfs/dbraw/zinc/33/19/62/594331962.db2.gz	VQAZSVPYBPYREK-HNNXBMFYSA-N	-1	0	349.431	1.994	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)C[C@H]2CSCCN2C(=O)[O-])cc1	ZINC000828067812	594334149	/nfs/dbraw/zinc/33/41/49/594334149.db2.gz	NGKAEGNRJRHHAI-AWEZNQCLSA-N	-1	0	337.445	1.854	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)C[C@@H]2CSCCN2C(=O)[O-])c1	ZINC000829484875	594623719	/nfs/dbraw/zinc/62/37/19/594623719.db2.gz	WWAJMYCTDYCPQC-LLVKDONJSA-N	-1	0	340.401	1.503	20	10		EDCDRM
O=C([O-])N1CCO[C@@H](C(=O)NCCCSc2nccs2)C1	ZINC000831680014	594692155	/nfs/dbraw/zinc/69/21/55/594692155.db2.gz	ADAAHDJKWJUCAD-SECBINFHSA-N	-1	0	331.419	1.120	20	10		EDCDRM
O=C([O-])N1CC[C@](F)(C(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000831900962	594710234	/nfs/dbraw/zinc/71/02/34/594710234.db2.gz	DKYBBULERRULFC-QGZVFWFLSA-N	-1	0	335.379	1.995	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CCC3(CNC(=O)C3)CC2)c([N+](=O)[O-])c1	ZINC000833196916	594803813	/nfs/dbraw/zinc/80/38/13/594803813.db2.gz	ZCMSNAIITSQWEM-DUXPYHPUSA-N	-1	0	345.355	1.799	20	10		EDCDRM
CC[C@@H](C)[C@H](NC(=O)CN1CCOc2cc(N(C)C)ccc21)C(=O)[O-]	ZINC000833637179	594894552	/nfs/dbraw/zinc/89/45/52/594894552.db2.gz	CQWCYRSANQOSBI-PXAZEXFGSA-N	-1	0	349.431	1.567	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000844209543	595302918	/nfs/dbraw/zinc/30/29/18/595302918.db2.gz	GPERFBYYCCOGBV-ZENLRNHISA-N	-1	0	334.328	1.688	20	10		EDCDRM
C[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000848576435	595406740	/nfs/dbraw/zinc/40/67/40/595406740.db2.gz	PUUQYGQEDWXHHB-CHWSQXEVSA-N	-1	0	335.404	1.604	20	10		EDCDRM
C[C@@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(=O)[O-]	ZINC000848611055	595417380	/nfs/dbraw/zinc/41/73/80/595417380.db2.gz	YMGPPZGDDYVMOS-LBPRGKRZSA-N	-1	0	347.415	1.081	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@](C)(CCF)C(=O)[O-])cc1F	ZINC000849237286	595496557	/nfs/dbraw/zinc/49/65/57/595496557.db2.gz	UWITVTHVRPNJKF-OAHLLOKOSA-N	-1	0	329.347	1.894	20	10		EDCDRM
CCNC(=O)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000121572481	595514197	/nfs/dbraw/zinc/51/41/97/595514197.db2.gz	CRYMPEUYKRBLKK-UHFFFAOYSA-N	-1	0	342.783	1.801	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccccc3[O-])C2)cc1	ZINC000849417462	595523821	/nfs/dbraw/zinc/52/38/21/595523821.db2.gz	RLIUWZHRZJJUSS-CYBMUJFWSA-N	-1	0	348.424	1.958	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccnc(C)c2)cc1	ZINC000853010573	595641035	/nfs/dbraw/zinc/64/10/35/595641035.db2.gz	GGVXUGVYUGKPNF-UHFFFAOYSA-N	-1	0	343.383	1.606	20	10		EDCDRM
C[C@H](NS(=O)(=O)c1ncc[n-]1)c1ccc(N2CCOCC2)cc1	ZINC000866606041	596266819	/nfs/dbraw/zinc/26/68/19/596266819.db2.gz	RGSITWHHDOWQKF-LBPRGKRZSA-N	-1	0	336.417	1.286	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCO[C@H](C)[C@H]2C)cc1	ZINC000872949128	597137222	/nfs/dbraw/zinc/13/72/22/597137222.db2.gz	JXDGDDZHXBXHLW-CHWSQXEVSA-N	-1	0	336.388	1.222	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC(C)(C)SC)cc1	ZINC000872951817	597137740	/nfs/dbraw/zinc/13/77/40/597137740.db2.gz	PTTIBWSNWUSTAU-UHFFFAOYSA-N	-1	0	340.445	1.844	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1	ZINC000872989712	597152316	/nfs/dbraw/zinc/15/23/16/597152316.db2.gz	SXUNXKDEWCKCJC-XJKSGUPXSA-N	-1	0	348.399	1.270	20	10		EDCDRM
COC(=O)C(C)(C)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000877427986	597513829	/nfs/dbraw/zinc/51/38/29/597513829.db2.gz	FPSKJZQDRBAISX-UHFFFAOYSA-N	-1	0	328.359	1.740	20	10		EDCDRM
CSCCO[N-]C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000288663892	249708632	/nfs/dbraw/zinc/70/86/32/249708632.db2.gz	VUQBUANQTCZYKD-UHFFFAOYSA-N	-1	0	335.429	1.090	20	10		EDCDRM
O=C1NC[C@@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CCN12	ZINC000091864422	441749349	/nfs/dbraw/zinc/74/93/49/441749349.db2.gz	MGEJTJISILFBAM-SNVBAGLBSA-N	-1	0	326.740	1.163	20	10		EDCDRM
CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)c2ccc(C)c(O)c2O)C1	ZINC000284866320	443791327	/nfs/dbraw/zinc/79/13/27/443791327.db2.gz	DVWOWBDKNKNPMM-PWSUYJOCSA-N	-1	0	332.360	1.435	20	10		EDCDRM
CCN(CCNC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-]	ZINC000739430409	578282579	/nfs/dbraw/zinc/28/25/79/578282579.db2.gz	DZEGGTVFZVSHMV-UHFFFAOYSA-N	-1	0	326.372	1.691	20	10		EDCDRM
COCCn1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cn1	ZINC000766048254	580157457	/nfs/dbraw/zinc/15/74/57/580157457.db2.gz	PVBFDIDHLIXXTQ-UHFFFAOYSA-N	-1	0	339.373	1.239	20	10		EDCDRM
COCCn1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cn1	ZINC000776749047	580427650	/nfs/dbraw/zinc/42/76/50/580427650.db2.gz	VLQOVAVHAGEABK-UHFFFAOYSA-N	-1	0	331.781	1.689	20	10		EDCDRM
O=C([O-])CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000780599462	580528215	/nfs/dbraw/zinc/52/82/15/580528215.db2.gz	KZYGIAWMIUQPJM-JTQLQIEISA-N	-1	0	343.330	1.641	20	10		EDCDRM
COC(=O)c1occc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000798178093	580989928	/nfs/dbraw/zinc/98/99/28/580989928.db2.gz	VXYVWZRRCCOTKF-DAXSKMNVSA-N	-1	0	327.339	1.352	20	10		EDCDRM
COC(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	ZINC000895803916	591276713	/nfs/dbraw/zinc/27/67/13/591276713.db2.gz	GQTJDSJZTOHYND-UHFFFAOYSA-N	-1	0	336.369	1.837	20	10		EDCDRM
CC[C@H](CN1CCOCC1)NC(=O)NCc1cccc(Cl)c1O	ZINC000896634624	591560982	/nfs/dbraw/zinc/56/09/82/591560982.db2.gz	ZBECOCBNTRFXFB-CYBMUJFWSA-N	-1	0	341.839	1.956	20	10		EDCDRM
Cn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(F)cc(F)c2[O-])cn1	ZINC000895378983	591736804	/nfs/dbraw/zinc/73/68/04/591736804.db2.gz	LAABTUJPNOCOPU-FATZIPQQSA-N	-1	0	341.383	1.710	20	10		EDCDRM
COCC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)[O-]	ZINC000909627133	591867895	/nfs/dbraw/zinc/86/78/95/591867895.db2.gz	YVOMBFRREYXDAF-AWEZNQCLSA-N	-1	0	331.372	1.709	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)[C@H]3CO[C@@H](CCC(=O)[O-])C3)ccc21	ZINC000901755658	592459645	/nfs/dbraw/zinc/45/96/45/592459645.db2.gz	VEXNHBFDDHJEFW-CVEARBPZSA-N	-1	0	346.427	1.955	20	10		EDCDRM
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000908847443	592640524	/nfs/dbraw/zinc/64/05/24/592640524.db2.gz	QTEUKFGWXXGYMN-HUUCEWRRSA-N	-1	0	333.388	1.016	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)N(C)[C@@H](C)C(=O)[O-])C2)cc1	ZINC000909130463	592737456	/nfs/dbraw/zinc/73/74/56/592737456.db2.gz	AAXINAASAIUJRY-STQMWFEESA-N	-1	0	335.404	1.636	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H](O)CCc1ccccc1	ZINC000911483790	592928100	/nfs/dbraw/zinc/92/81/00/592928100.db2.gz	FBTJCHOGMKXQAS-KRWDZBQOSA-N	-1	0	343.379	1.799	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)CCCn2ccc(C(=O)[O-])n2)cc1	ZINC000911119388	592937375	/nfs/dbraw/zinc/93/73/75/592937375.db2.gz	HYQJNZBNVDZGKK-UHFFFAOYSA-N	-1	0	330.388	1.744	20	10		EDCDRM
CC(C)(NC(=O)[O-])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000736331374	593001038	/nfs/dbraw/zinc/00/10/38/593001038.db2.gz	KRNVLPKNPILIQC-UHFFFAOYSA-N	-1	0	349.431	1.558	20	10		EDCDRM
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCC(=O)[O-])cc1	ZINC000817116170	593572413	/nfs/dbraw/zinc/57/24/13/593572413.db2.gz	XIAJGOGAAGBSLV-UHFFFAOYSA-N	-1	0	335.404	1.082	20	10		EDCDRM
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000817896645	593646629	/nfs/dbraw/zinc/64/66/29/593646629.db2.gz	NDXNSLLHGFRORB-ZDUSSCGKSA-N	-1	0	348.399	1.454	20	10		EDCDRM
C[C@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C(=O)[O-]	ZINC000818331674	593693300	/nfs/dbraw/zinc/69/33/00/593693300.db2.gz	XMVZAJFRRXQFPB-KBXCAEBGSA-N	-1	0	347.459	1.896	20	10		EDCDRM
CCc1n[nH]cc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000827552506	594231209	/nfs/dbraw/zinc/23/12/09/594231209.db2.gz	WAXDFGSFTIZRNH-HNNXBMFYSA-N	-1	0	345.403	1.777	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)C2=CCCCO2)NC(=O)[O-])cc1	ZINC000828056935	594331789	/nfs/dbraw/zinc/33/17/89/594331789.db2.gz	WUVAGDKJWPXRFK-AWEZNQCLSA-N	-1	0	333.388	1.872	20	10		EDCDRM
CN(C)c1ccc(CN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)C2CC2)cc1	ZINC000828067226	594334027	/nfs/dbraw/zinc/33/40/27/594334027.db2.gz	HJXQATFAJKICSK-MRXNPFEDSA-N	-1	0	347.415	1.622	20	10		EDCDRM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[nH]n1	ZINC000826272148	594406336	/nfs/dbraw/zinc/40/63/36/594406336.db2.gz	WGWITJWCDYJIDX-UHFFFAOYSA-N	-1	0	345.384	1.990	20	10		EDCDRM
Cc1ncoc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830828882	594490284	/nfs/dbraw/zinc/49/02/84/594490284.db2.gz	FHQZGZWDXNQFEE-CYBMUJFWSA-N	-1	0	332.360	1.788	20	10		EDCDRM
COc1cccc(CNC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c1O	ZINC000829558558	594639847	/nfs/dbraw/zinc/63/98/47/594639847.db2.gz	AEIHCGJUSQHWJF-SKDRFNHKSA-N	-1	0	338.360	1.520	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1	ZINC000833195708	594803745	/nfs/dbraw/zinc/80/37/45/594803745.db2.gz	JMGQXFSTAVHZPT-CTGSTSKSSA-N	-1	0	347.371	1.604	20	10		EDCDRM
COc1ccc(O)c(CNS(=O)(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000833733196	594918118	/nfs/dbraw/zinc/91/81/18/594918118.db2.gz	BYFZGEUOQJLPJJ-UHFFFAOYSA-N	-1	0	343.382	1.639	20	10		EDCDRM
O=S1(=O)CC[C@]2(C1)CN(Cc1c([O-])ccc(Cl)c1F)CCO2	ZINC000843425917	595107669	/nfs/dbraw/zinc/10/76/69/595107669.db2.gz	JZISWNMCSBPKAW-CQSZACIVSA-N	-1	0	349.811	1.574	20	10		EDCDRM
CN(Cc1nnnn1CC(F)(F)F)c1ccc(OCC(=O)[O-])cc1	ZINC000846280497	595196074	/nfs/dbraw/zinc/19/60/74/595196074.db2.gz	YJYYBFGBYKYVFT-UHFFFAOYSA-N	-1	0	345.281	1.335	20	10		EDCDRM
CC1(C)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H](CO)O1	ZINC000844214817	595304116	/nfs/dbraw/zinc/30/41/16/595304116.db2.gz	VENGHUAXMBGXNM-TXNVCOODSA-N	-1	0	336.344	1.669	20	10		EDCDRM
C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-]	ZINC000848576215	595406697	/nfs/dbraw/zinc/40/66/97/595406697.db2.gz	KCLLYMYEGHESSR-NSHDSACASA-N	-1	0	339.367	1.182	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H](OC)C2CC2)cc1	ZINC000853008801	595640786	/nfs/dbraw/zinc/64/07/86/595640786.db2.gz	ZMYIZNZVAZJAOY-OAHLLOKOSA-N	-1	0	336.388	1.127	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSCC(=O)[O-]	ZINC000391375750	597096718	/nfs/dbraw/zinc/09/67/18/597096718.db2.gz	UKDOVSCQMALMRO-UHFFFAOYSA-N	-1	0	338.429	1.299	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC[C@@H]3C(=O)[O-])C2)cc1	ZINC000872876760	597106460	/nfs/dbraw/zinc/10/64/60/597106460.db2.gz	AXXMXRVNBCVBMY-MAZHCROVSA-N	-1	0	332.400	1.891	20	10		EDCDRM
CO[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	ZINC000378630928	447448478	/nfs/dbraw/zinc/44/84/78/447448478.db2.gz	IJZMFOUPZNPWOA-LBPRGKRZSA-N	-1	0	342.417	1.405	20	10		EDCDRM
C[C@@H]1CCS(=O)(=O)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000192053562	442580096	/nfs/dbraw/zinc/58/00/96/442580096.db2.gz	NZEAYZYAAGRVEM-SECBINFHSA-N	-1	0	348.808	1.963	20	10		EDCDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC000276964962	443880882	/nfs/dbraw/zinc/88/08/82/443880882.db2.gz	UWVVUGYOOSOGLI-LBPRGKRZSA-N	-1	0	337.401	1.913	20	10		EDCDRM
O=C([O-])N1CSC[C@H]1C(=O)NCCCSc1nccs1	ZINC000740430243	579345685	/nfs/dbraw/zinc/34/56/85/579345685.db2.gz	GSACPZYGFRPMFG-QMMMGPOBSA-N	-1	0	333.460	1.794	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NC(=O)NCCCN(C)C(=O)[O-])c1	ZINC000739925194	578371990	/nfs/dbraw/zinc/37/19/90/578371990.db2.gz	IGXMJDQJTHCYJD-SNVBAGLBSA-N	-1	0	325.365	1.761	20	10		EDCDRM
CSCC[C@H](NC(=O)[O-])C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000740012207	578493079	/nfs/dbraw/zinc/49/30/79/578493079.db2.gz	VPTQGMMCXOHIIO-LBPRGKRZSA-N	-1	0	343.424	1.897	20	10		EDCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1nccn1CC(F)(F)F	ZINC000728697543	578550711	/nfs/dbraw/zinc/55/07/11/578550711.db2.gz	RMKGNIFPNTWALF-DHZHZOJOSA-N	-1	0	336.273	1.907	20	10		EDCDRM
COc1ccc(O)c([C@H](C)NC(=O)NCCN(C(=O)[O-])C2CC2)c1	ZINC000739925177	579268683	/nfs/dbraw/zinc/26/86/83/579268683.db2.gz	HQLOYDXNNVUHJB-JTQLQIEISA-N	-1	0	337.376	1.903	20	10		EDCDRM
CONC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000748024992	579666884	/nfs/dbraw/zinc/66/68/84/579666884.db2.gz	UKPGGPYLCRTUSS-UHFFFAOYSA-N	-1	0	328.371	1.546	20	10		EDCDRM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(O)cc1F	ZINC000758169398	579976059	/nfs/dbraw/zinc/97/60/59/579976059.db2.gz	RSWAKEAVAQPJHD-UHFFFAOYSA-N	-1	0	329.309	1.150	20	10		EDCDRM
CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765035242	580133681	/nfs/dbraw/zinc/13/36/81/580133681.db2.gz	DOWICPDIMSZOAS-UHFFFAOYSA-N	-1	0	346.368	1.725	20	10		EDCDRM
C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(N(C)C)cc1	ZINC000773983303	580350984	/nfs/dbraw/zinc/35/09/84/580350984.db2.gz	XJCJTDXNETXCRP-JTQLQIEISA-N	-1	0	337.401	1.818	20	10		EDCDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c([N+](=O)[O-])n1	ZINC000797819304	580981712	/nfs/dbraw/zinc/98/17/12/580981712.db2.gz	FAOUBGCCUCEAGZ-UHFFFAOYSA-N	-1	0	342.333	1.326	20	10		EDCDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2	ZINC000840918015	590803863	/nfs/dbraw/zinc/80/38/63/590803863.db2.gz	NZJDBEUXYYVSMD-UHFFFAOYSA-N	-1	0	337.401	1.872	20	10		EDCDRM
COC[C@H](NCc1cc(Br)cc(F)c1[O-])C(=O)OC	ZINC000894539587	591337125	/nfs/dbraw/zinc/33/71/25/591337125.db2.gz	UOGMJXQNAFMSHX-JTQLQIEISA-N	-1	0	336.157	1.571	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C(=O)[O-])cnn1C	ZINC000901605205	592410301	/nfs/dbraw/zinc/41/03/01/592410301.db2.gz	NTQXJRGOOPISIQ-UHFFFAOYSA-N	-1	0	330.388	1.847	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)Cn1ccc(C(F)F)n1	ZINC000911490358	592929765	/nfs/dbraw/zinc/92/97/65/592929765.db2.gz	YURGNEHJYZJLIF-UHFFFAOYSA-N	-1	0	339.298	1.640	20	10		EDCDRM
C[C@H](C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)n1cccn1	ZINC000911355288	593003227	/nfs/dbraw/zinc/00/32/27/593003227.db2.gz	VWMQANBRSYPLFL-SNVBAGLBSA-N	-1	0	337.763	1.917	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCCOC1	ZINC000911360443	593005858	/nfs/dbraw/zinc/00/58/58/593005858.db2.gz	UEHGTIJBOAELHP-JTQLQIEISA-N	-1	0	327.764	1.885	20	10		EDCDRM
CCOC(=O)c1ccc(C(=O)Nc2nnc(C3=S=CC=C3)[n-]2)cc1	ZINC000810118731	593384883	/nfs/dbraw/zinc/38/48/83/593384883.db2.gz	CGXVGCHOIPSYNN-UHFFFAOYSA-N	-1	0	342.380	1.859	20	10		EDCDRM
C[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1ccc(N(C)C)cc1	ZINC000818658456	593710778	/nfs/dbraw/zinc/71/07/78/593710778.db2.gz	YTYOPGKRWHVQGR-GFCCVEGCSA-N	-1	0	349.431	1.547	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)c3cc(=O)n(C)[n-]3)CC2)cc1	ZINC000822919960	594122424	/nfs/dbraw/zinc/12/24/24/594122424.db2.gz	RZHJQNUSHCVGKV-UHFFFAOYSA-N	-1	0	330.388	1.487	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2ncccn2)NC(=O)[O-])cc1	ZINC000828063355	594333394	/nfs/dbraw/zinc/33/33/94/594333394.db2.gz	DBTCDNFNSGSZFD-ZDUSSCGKSA-N	-1	0	329.360	1.281	20	10		EDCDRM
C[C@H](CC(=O)[O-])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000827296235	594659175	/nfs/dbraw/zinc/65/91/75/594659175.db2.gz	RGFPNTNPBUWXKN-LLVKDONJSA-N	-1	0	338.379	1.514	20	10		EDCDRM
Cc1cc(C(=O)Cn2nnnc2C)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000833022150	594791997	/nfs/dbraw/zinc/79/19/97/594791997.db2.gz	ZYSDTQTXUCCQBV-UHFFFAOYSA-N	-1	0	339.355	1.970	20	10		EDCDRM
CC[C@H](C)[C@H](NC(=O)CN(C)c1ccc(OC)cc1OC)C(=O)[O-]	ZINC000833637474	594894378	/nfs/dbraw/zinc/89/43/78/594894378.db2.gz	DXDSJOYQBNZZHT-ZBEGNZNMSA-N	-1	0	338.404	1.756	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])o2)c1	ZINC000833733706	594918348	/nfs/dbraw/zinc/91/83/48/594918348.db2.gz	MVDGUUJIBODLTO-MRVPVSSYSA-N	-1	0	341.341	1.732	20	10		EDCDRM
C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000833824867	594940262	/nfs/dbraw/zinc/94/02/62/594940262.db2.gz	JOAYSZVTPRNHIL-SJKOYZFVSA-N	-1	0	336.388	1.973	20	10		EDCDRM
C[C@@H]1CN(c2ccc(CNC(=O)CCC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000842571906	595130219	/nfs/dbraw/zinc/13/02/19/595130219.db2.gz	ZHVMQKFGSOBPOH-TXEJJXNPSA-N	-1	0	338.379	1.920	20	10		EDCDRM
C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[S@](=O)C1	ZINC000844220274	595305624	/nfs/dbraw/zinc/30/56/24/595305624.db2.gz	YIACVTOBXWAARW-SGPPSKCMSA-N	-1	0	338.385	1.897	20	10		EDCDRM
CCn1ccc(CNC(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)n1	ZINC000853010603	595640956	/nfs/dbraw/zinc/64/09/56/595640956.db2.gz	HEWYUFQMUODVEB-UHFFFAOYSA-N	-1	0	346.387	1.119	20	10		EDCDRM
COc1cccc(CNC(=O)c2n[n-]c3ccccc3c2=O)c1O	ZINC000111597799	595877837	/nfs/dbraw/zinc/87/78/37/595877837.db2.gz	BYXGQRXFNGURGW-UHFFFAOYSA-N	-1	0	325.324	1.567	20	10		EDCDRM
O=S(=O)(c1ncc[n-]1)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000866829038	596369072	/nfs/dbraw/zinc/36/90/72/596369072.db2.gz	QDFBRVLGJLQKBJ-ZDUSSCGKSA-N	-1	0	337.401	1.485	20	10		EDCDRM
Cn1nc2c(c1/C=C1/SC(=S)N(CC(=O)[O-])C1=O)CCCC2	ZINC000864362435	596869975	/nfs/dbraw/zinc/86/99/75/596869975.db2.gz	FCILFIRZBICMQP-IZZDOVSWSA-N	-1	0	337.426	1.585	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)C[C@@H]2CCCO2)cc1	ZINC000872894528	597114605	/nfs/dbraw/zinc/11/46/05/597114605.db2.gz	OHSBJCICRXSYEG-HNNXBMFYSA-N	-1	0	336.388	1.224	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)Cc2ccco2)cc1	ZINC000872895514	597114678	/nfs/dbraw/zinc/11/46/78/597114678.db2.gz	KFQOGJDHIDLCKX-CYBMUJFWSA-N	-1	0	346.383	1.927	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2C[C@H](C)OC[C@@H]2C)cc1	ZINC000872903316	597117812	/nfs/dbraw/zinc/11/78/12/597117812.db2.gz	MWRAWBZDGSMQFT-STQMWFEESA-N	-1	0	336.388	1.222	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2C[C@@H](C)OC[C@H]2C)cc1	ZINC000872903313	597118086	/nfs/dbraw/zinc/11/80/86/597118086.db2.gz	MWRAWBZDGSMQFT-CHWSQXEVSA-N	-1	0	336.388	1.222	20	10		EDCDRM
C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000325375558	703002724	/nfs/dbraw/zinc/00/27/24/703002724.db2.gz	LPEGGEIZDWLZCE-GFCCVEGCSA-N	-1	0	338.379	1.779	20	10		EDCDRM
COc1c(O)c(CN2CCO[C@@]3(CCO[C@@H]3C)C2)ccc1[N+](=O)[O-]	ZINC000279752790	443626559	/nfs/dbraw/zinc/62/65/59/443626559.db2.gz	YVFDBNYJBVMGDP-BZNIZROVSA-N	-1	0	338.360	1.689	20	10		EDCDRM
COc1ccc(CN(CCO)C(=O)c2cccc(O)c2O)c(OC)c1	ZINC000274985101	443617443	/nfs/dbraw/zinc/61/74/43/443617443.db2.gz	QKUUSGXZMBOJQZ-UHFFFAOYSA-N	-1	0	347.367	1.750	20	10		EDCDRM
CN1C(=O)N[C@@H]2CN(Cc3cc(Br)ccc3O)CC[C@@H]21	ZINC000284666813	443782946	/nfs/dbraw/zinc/78/29/46/443782946.db2.gz	OEWDEJOEGHVJLZ-NEPJUHHUSA-N	-1	0	340.221	1.753	20	10		EDCDRM
CCN(Cc1cc(Br)ccc1O)C(=O)CNC(=O)[O-]	ZINC000285808681	444114884	/nfs/dbraw/zinc/11/48/84/444114884.db2.gz	WIGRFKVDMMTAOO-UHFFFAOYSA-N	-1	0	331.166	1.771	20	10		EDCDRM
O=C([O-])C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1	ZINC000363802717	445876606	/nfs/dbraw/zinc/87/66/06/445876606.db2.gz	GGBTVEAXHAZFGM-VIFPVBQESA-N	-1	0	332.278	1.612	20	10		EDCDRM
O=C([O-])N1CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	ZINC000740488202	579352468	/nfs/dbraw/zinc/35/24/68/579352468.db2.gz	AIHNBFAKSIGYEY-HUUCEWRRSA-N	-1	0	348.399	1.900	20	10		EDCDRM
C[S@@](=O)c1ccc(C(=O)Nc2nnc(C3=S=CC=C3)[n-]2)cc1	ZINC000732071594	578689691	/nfs/dbraw/zinc/68/96/91/578689691.db2.gz	UFCOBUIEGSWEKP-JOCHJYFZSA-N	-1	0	332.410	1.420	20	10		EDCDRM
NS(=O)(=O)c1ccc(F)c(CNC(=O)C2=CC(=O)CS2)c1	ZINC000734551198	578822881	/nfs/dbraw/zinc/82/28/81/578822881.db2.gz	LVVDMDYBSQFCCD-UHFFFAOYSA-N	-1	0	330.362	1.170	20	10		EDCDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccco2)cc1	ZINC000783528924	580600895	/nfs/dbraw/zinc/60/08/95/580600895.db2.gz	RZOOCTAVDNVCNB-UHFFFAOYSA-N	-1	0	330.387	1.842	20	10		EDCDRM
Cn1ncc(C(=O)NCc2cc(Br)ccc2O)c1N	ZINC000804735229	590755421	/nfs/dbraw/zinc/75/54/21/590755421.db2.gz	QKFPYQNYNLYPKX-UHFFFAOYSA-N	-1	0	325.166	1.400	20	10		EDCDRM
COCC[NH+]1CCC(NC(=O)NCc2cccc(Cl)c2O)CC1	ZINC000892333294	590961142	/nfs/dbraw/zinc/96/11/42/590961142.db2.gz	AYIYOBASUBCUGD-UHFFFAOYSA-N	-1	0	341.839	1.956	20	10		EDCDRM
C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)c3c(F)ccc(O)c3O)O2)[C@H]1C	ZINC000899485989	591825595	/nfs/dbraw/zinc/82/55/95/591825595.db2.gz	XMUKHUMMANQJRV-BHGXRVDKSA-N	-1	0	339.363	1.939	20	10		EDCDRM
C[C@H]1CCn2ncc(C(=O)N(CC(=O)[O-])Cc3ccccc3O)c2C1	ZINC000911493152	592930427	/nfs/dbraw/zinc/93/04/27/592930427.db2.gz	KMPPCJSZQVLCIT-LBPRGKRZSA-N	-1	0	343.383	1.898	20	10		EDCDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000807837456	593203019	/nfs/dbraw/zinc/20/30/19/593203019.db2.gz	QRHXGEZGCTWEPF-SSDOTTSWSA-N	-1	0	338.212	1.750	20	10		EDCDRM
O=c1[nH]c2cccc([N-]S(=O)(=O)c3cccc4nonc43)c2[nH]1	ZINC000811717318	593476738	/nfs/dbraw/zinc/47/67/38/593476738.db2.gz	FELRYPVLQFROKR-UHFFFAOYSA-N	-1	0	331.313	1.606	20	10		EDCDRM
COc1cccc(O)c1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000812393896	593500708	/nfs/dbraw/zinc/50/07/08/593500708.db2.gz	UDWWDUGUOMDVLQ-BJMVGYQFSA-N	-1	0	325.367	1.687	20	10		EDCDRM
O=C(Cn1cccnc1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000813683101	593548338	/nfs/dbraw/zinc/54/83/38/593548338.db2.gz	SSYUOOOPWGCSTP-UHFFFAOYSA-N	-1	0	328.155	1.572	20	10		EDCDRM
C[C@@H](NC(=O)C(=O)NCCCCCC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000817116660	593572498	/nfs/dbraw/zinc/57/24/98/593572498.db2.gz	XILPZQCWJBAQLK-CYBMUJFWSA-N	-1	0	349.431	1.691	20	10		EDCDRM
Cc1c(Cl)c(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)nn1C	ZINC000817706577	593625394	/nfs/dbraw/zinc/62/53/94/593625394.db2.gz	COABASCBCPSGKS-XVNBXDOJSA-N	-1	0	331.806	1.668	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)C2=COCCC2)NC(=O)[O-])cc1	ZINC000828056628	594331889	/nfs/dbraw/zinc/33/18/89/594331889.db2.gz	UBDBLHJLHLAVEF-HNNXBMFYSA-N	-1	0	333.388	1.872	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2cncs2)NC(=O)[O-])cc1	ZINC000828064133	594333690	/nfs/dbraw/zinc/33/36/90/594333690.db2.gz	LWZITAFRULTDQD-LBPRGKRZSA-N	-1	0	334.401	1.948	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cscn2)NC(=O)[O-])cc1	ZINC000828064691	594333766	/nfs/dbraw/zinc/33/37/66/594333766.db2.gz	WDOXPRFPDBLOPQ-GFCCVEGCSA-N	-1	0	334.401	1.948	20	10		EDCDRM
CCO[C@@H]1C[C@H]1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000827390355	594667925	/nfs/dbraw/zinc/66/79/25/594667925.db2.gz	ZIMXYEGKFIVOBD-RBSFLKMASA-N	-1	0	335.404	1.603	20	10		EDCDRM
C[C@@H]1CN(CCO)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000844209980	595302973	/nfs/dbraw/zinc/30/29/73/595302973.db2.gz	MQCKPWKAGOAHDB-KTLBGCOUSA-N	-1	0	335.360	1.195	20	10		EDCDRM
CC[C@H](C(=O)[O-])N(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000844839213	595401959	/nfs/dbraw/zinc/40/19/59/595401959.db2.gz	KDLNYKDAMBAPBL-MRXNPFEDSA-N	-1	0	349.431	1.139	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@]2(C)C(=O)[O-])cc1	ZINC000863533727	596611437	/nfs/dbraw/zinc/61/14/37/596611437.db2.gz	XTDYGKNWQUGWIC-GOSISDBHSA-N	-1	0	333.432	1.650	20	10		EDCDRM
O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000874385609	597051779	/nfs/dbraw/zinc/05/17/79/597051779.db2.gz	ZWXCWOPCPNDSOR-OKILXGFUSA-N	-1	0	349.456	1.902	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)Cc2cnccn2)cc1	ZINC000872949320	597136988	/nfs/dbraw/zinc/13/69/88/597136988.db2.gz	MTCUDRMNURNFRP-UHFFFAOYSA-N	-1	0	344.371	1.035	20	10		EDCDRM
COC(=O)[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])[C@H](C(=O)OC)C1	ZINC000877183731	597455292	/nfs/dbraw/zinc/45/52/92/597455292.db2.gz	HPIGNCZXULWQNX-CABZTGNLSA-N	-1	0	343.326	1.597	20	10		EDCDRM
O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])N2Cc3ccccc3C[C@@H]12	ZINC000877866049	597561311	/nfs/dbraw/zinc/56/13/11/597561311.db2.gz	CRSLAEVOEOFHBD-GOEBONIOSA-N	-1	0	325.324	1.856	20	10		EDCDRM
CCN(OC)C(=O)C[NH2+]Cc1cc(Br)cc(F)c1[O-]	ZINC000883152618	597669282	/nfs/dbraw/zinc/66/92/82/597669282.db2.gz	BGFUPBVXVXMNLW-UHFFFAOYSA-N	-1	0	335.173	1.793	20	10		EDCDRM
C[C@@H]1CN(C(=O)CN2CCCc3cc(CNC(=O)[O-])ccc32)CCO1	ZINC000739130298	602649726	/nfs/dbraw/zinc/64/97/26/602649726.db2.gz	CJEUBLJKENMACN-CYBMUJFWSA-N	-1	0	347.415	1.454	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])cc1	ZINC000739616359	603385303	/nfs/dbraw/zinc/38/53/03/603385303.db2.gz	AVOQJDHHBAXIND-HNNXBMFYSA-N	-1	0	335.404	1.528	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1O	ZINC000364209985	445901174	/nfs/dbraw/zinc/90/11/74/445901174.db2.gz	LYAIYURIBRGGFK-IRXDYDNUSA-N	-1	0	336.407	1.765	20	10		EDCDRM
O=C([O-])Nc1ccc(F)c(NC(=O)C(=O)NCc2ccccc2O)c1	ZINC000740703863	579379576	/nfs/dbraw/zinc/37/95/76/579379576.db2.gz	HOITYUGVDOZFGW-UHFFFAOYSA-N	-1	0	347.302	1.876	20	10		EDCDRM
CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-]	ZINC000739394509	578280717	/nfs/dbraw/zinc/28/07/17/578280717.db2.gz	JWLJTUYRCLAFFL-UHFFFAOYSA-N	-1	0	339.367	1.278	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](CCSC)NC(=O)[O-])c1	ZINC000739925385	578371999	/nfs/dbraw/zinc/37/19/99/578371999.db2.gz	NHWVSKLYNCDBAK-SKDRFNHKSA-N	-1	0	342.417	1.967	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000738041320	579153763	/nfs/dbraw/zinc/15/37/63/579153763.db2.gz	HKJVYGTZMFWYDF-MNOVXSKESA-N	-1	0	337.376	1.903	20	10		EDCDRM
CCN(CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000739387866	579199157	/nfs/dbraw/zinc/19/91/57/579199157.db2.gz	ANMRSKXPOAGIDG-ZDUSSCGKSA-N	-1	0	335.404	1.700	20	10		EDCDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)o1	ZINC000766048030	580157396	/nfs/dbraw/zinc/15/73/96/580157396.db2.gz	PGZGJLFJEGTESK-UHFFFAOYSA-N	-1	0	339.325	1.775	20	10		EDCDRM
COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(F)c1[O-]	ZINC000775643864	580396015	/nfs/dbraw/zinc/39/60/15/580396015.db2.gz	WLIHCJBULCYNFE-NSHDSACASA-N	-1	0	330.743	1.048	20	10		EDCDRM
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c[nH]1	ZINC000776434183	580417234	/nfs/dbraw/zinc/41/72/34/580417234.db2.gz	ABYZTINDPVROJO-UHFFFAOYSA-N	-1	0	340.313	1.006	20	10		EDCDRM
O=C1CCOc2c([N-]S(=O)(=O)c3cccc4nonc43)cccc21	ZINC000779846414	580499430	/nfs/dbraw/zinc/49/94/30/580499430.db2.gz	WERYMYFEUJLHAJ-UHFFFAOYSA-N	-1	0	345.336	1.989	20	10		EDCDRM
COc1ccc(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c(O)c1	ZINC000794380390	580889629	/nfs/dbraw/zinc/88/96/29/580889629.db2.gz	BIIUHIHBWIZXLP-UHFFFAOYSA-N	-1	0	334.294	1.474	20	10		EDCDRM
NC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(OCc2ccccc2)cc1O	ZINC000895367592	591730827	/nfs/dbraw/zinc/73/08/27/591730827.db2.gz	FOSWOGCVMNQZTG-WBVHZDCISA-N	-1	0	342.395	1.392	20	10		EDCDRM
COc1ccc(N(C)CCN(C)C(=O)c2c(C(=O)[O-])cnn2C)cc1	ZINC000902016802	591897509	/nfs/dbraw/zinc/89/75/09/591897509.db2.gz	PPBRVRUCXPIFHZ-UHFFFAOYSA-N	-1	0	346.387	1.335	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1	ZINC000905127973	592428415	/nfs/dbraw/zinc/42/84/15/592428415.db2.gz	FLEUCSURNOOBOW-QAPCUYQASA-N	-1	0	348.399	1.270	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C2)cc1	ZINC000909132844	592737545	/nfs/dbraw/zinc/73/75/45/592737545.db2.gz	ZLUQYLWVUYPDLL-XJKSGUPXSA-N	-1	0	349.431	1.930	20	10		EDCDRM
Cc1cc(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000910130060	592770205	/nfs/dbraw/zinc/77/02/05/592770205.db2.gz	PHNPJRVBSUCVMT-OAHLLOKOSA-N	-1	0	331.347	1.984	20	10		EDCDRM
CC(=O)N1CCC(C(=O)N(CC(=O)[O-])Cc2ccccc2O)CC1	ZINC000911485281	592928442	/nfs/dbraw/zinc/92/84/42/592928442.db2.gz	VIQWMDDHPOTTLV-UHFFFAOYSA-N	-1	0	334.372	1.064	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)C34CC(C(=O)[O-])(C3)C4)CC2)cc1	ZINC000911253082	592965004	/nfs/dbraw/zinc/96/50/04/592965004.db2.gz	WTRYTGOWNSOCKI-UHFFFAOYSA-N	-1	0	344.411	1.989	20	10		EDCDRM
COCCCn1nccc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O	ZINC000802705158	593271122	/nfs/dbraw/zinc/27/11/22/593271122.db2.gz	VNEKAXHUHPQESX-NTCAYCPXSA-N	-1	0	326.356	1.381	20	10		EDCDRM
CCN(C)C(=O)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805309509	593435579	/nfs/dbraw/zinc/43/55/79/593435579.db2.gz	NMEWKHJGTLAMOE-UHFFFAOYSA-N	-1	0	334.203	1.977	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cc1	ZINC000817108954	593570830	/nfs/dbraw/zinc/57/08/30/593570830.db2.gz	PSBZLMPMANJMNU-ZDUSSCGKSA-N	-1	0	349.431	1.328	20	10		EDCDRM
C[C@H](NC(=O)N(C)CCC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000818025689	593658648	/nfs/dbraw/zinc/65/86/48/593658648.db2.gz	UEZBSVSEKAUXJR-ZDUSSCGKSA-N	-1	0	335.404	1.700	20	10		EDCDRM
COc1ccc(-n2c(C)cc(C(=O)Nn3c(=O)[n-][nH]c3=O)c2C)cc1	ZINC000820289467	593806696	/nfs/dbraw/zinc/80/66/96/593806696.db2.gz	VQQUMXAFWBZYCP-UHFFFAOYSA-N	-1	0	343.343	1.489	20	10		EDCDRM
C[C@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)NC(=O)[O-]	ZINC000824605948	594046624	/nfs/dbraw/zinc/04/66/24/594046624.db2.gz	MNYAHNPKNIOGRZ-OLZOCXBDSA-N	-1	0	335.404	1.747	20	10		EDCDRM
C[C@H](NC(=O)C(C)(C)CNC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000825063926	594124089	/nfs/dbraw/zinc/12/40/89/594124089.db2.gz	CATANSLRECRUND-ZDUSSCGKSA-N	-1	0	349.431	1.994	20	10		EDCDRM
C[C@H](CS(=O)(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-]	ZINC000827563032	594233805	/nfs/dbraw/zinc/23/38/05/594233805.db2.gz	IIYAURPZEXKWND-GFCCVEGCSA-N	-1	0	326.418	1.427	20	10		EDCDRM
C[C@@H](CS(=O)(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-]	ZINC000827563034	594233816	/nfs/dbraw/zinc/23/38/16/594233816.db2.gz	IIYAURPZEXKWND-LBPRGKRZSA-N	-1	0	326.418	1.427	20	10		EDCDRM
CN(C(=O)[O-])[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	ZINC000827895600	594299894	/nfs/dbraw/zinc/29/98/94/594299894.db2.gz	NUTMKZPFFREPPZ-MRVPVSSYSA-N	-1	0	336.304	1.114	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)CC2CCOCC2)NC(=O)[O-])cc1	ZINC000828064536	594333665	/nfs/dbraw/zinc/33/36/65/594333665.db2.gz	RWTISOKNNHWVOT-INIZCTEOSA-N	-1	0	349.431	1.994	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccn(C)c2)NC(=O)[O-])cc1	ZINC000828064552	594333791	/nfs/dbraw/zinc/33/37/91/594333791.db2.gz	SFAXWVLEUOXMSE-OAHLLOKOSA-N	-1	0	330.388	1.830	20	10		EDCDRM
COC(=O)/C=C\c1ccc(N(C)[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000828646701	594471651	/nfs/dbraw/zinc/47/16/51/594471651.db2.gz	KYJDTMWMBFGPOY-TXNVCOODSA-N	-1	0	349.343	1.970	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC(C)(C)C(=O)[O-]	ZINC000830830512	594490953	/nfs/dbraw/zinc/49/09/53/594490953.db2.gz	GHXGYMMUNJTSTD-UHFFFAOYSA-N	-1	0	349.431	1.775	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)CN(CC3CC3)C(=O)[O-])CC2)cc1	ZINC000829424018	594611169	/nfs/dbraw/zinc/61/11/69/594611169.db2.gz	LDJNEEHRGHSZDN-UHFFFAOYSA-N	-1	0	347.415	1.734	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)CC3CN(C(=O)[O-])C3)CC2)cc1	ZINC000829423188	594611205	/nfs/dbraw/zinc/61/12/05/594611205.db2.gz	DJEXTXMABWPQIS-UHFFFAOYSA-N	-1	0	347.415	1.780	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC2)cc1	ZINC000829423351	594611333	/nfs/dbraw/zinc/61/13/33/594611333.db2.gz	DYNCNXIZHRJWDR-AWEZNQCLSA-N	-1	0	349.431	1.980	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000829483435	594623495	/nfs/dbraw/zinc/62/34/95/594623495.db2.gz	HRDDLVSHHYIBSL-ZWNOBZJWSA-N	-1	0	337.376	1.636	20	10		EDCDRM
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000831708533	594694740	/nfs/dbraw/zinc/69/47/40/594694740.db2.gz	JLYSBNPIKXKSDR-BXUZGUMPSA-N	-1	0	334.372	1.000	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C[C@H](OC)C1CC1	ZINC000842589067	595133355	/nfs/dbraw/zinc/13/33/55/595133355.db2.gz	QQTCTBCFOHQRKT-ZDUSSCGKSA-N	-1	0	329.374	1.346	20	10		EDCDRM
COC1CCN(c2ccc(CN3CCOC[C@@H]3C(=O)[O-])cc2)CC1	ZINC000846224892	595178681	/nfs/dbraw/zinc/17/86/81/595178681.db2.gz	CDQPRKYBVKNHSA-QGZVFWFLSA-N	-1	0	334.416	1.587	20	10		EDCDRM
COC[C@@]1(CO)CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000844213527	595303584	/nfs/dbraw/zinc/30/35/84/595303584.db2.gz	IKLUNEDFRUZFBL-WMHVBEDNSA-N	-1	0	336.344	1.528	20	10		EDCDRM
CC(C)(C(=O)[O-])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000844250841	595312296	/nfs/dbraw/zinc/31/22/96/595312296.db2.gz	OEJNUWRHKMFTAE-ZDUSSCGKSA-N	-1	0	347.415	1.115	20	10		EDCDRM
O=C([O-])[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1	ZINC000849364479	595512865	/nfs/dbraw/zinc/51/28/65/595512865.db2.gz	KXOOQHVKBAANMF-HNNXBMFYSA-N	-1	0	336.363	1.389	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2scnc2C)cc1	ZINC000853004104	595639193	/nfs/dbraw/zinc/63/91/93/595639193.db2.gz	GEUCKFGRTZJHIQ-UHFFFAOYSA-N	-1	0	349.412	1.668	20	10		EDCDRM
Nc1ccc(OCc2cn(CC[N-]C(=O)C(F)(F)F)nn2)cc1	ZINC000864624104	596287238	/nfs/dbraw/zinc/28/72/38/596287238.db2.gz	BURJBLWSOXRWOG-UHFFFAOYSA-N	-1	0	329.282	1.118	20	10		EDCDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1Cc2cccc(O)c2C1	ZINC000871204874	596497725	/nfs/dbraw/zinc/49/77/25/596497725.db2.gz	RGCLWCHWZTYTMA-LBPRGKRZSA-N	-1	0	330.306	1.938	20	10		EDCDRM
COC(=O)c1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)oc1C	ZINC000017699407	596557578	/nfs/dbraw/zinc/55/75/78/596557578.db2.gz	FCQSMYOSLBDHES-WTKPLQERSA-N	-1	0	341.366	1.660	20	10		EDCDRM
COC1(CS(=O)(=O)[N-]N=c2[nH]c3cccnc3s2)CCC1	ZINC000872378818	596896479	/nfs/dbraw/zinc/89/64/79/596896479.db2.gz	QPRAWQVBZXBXES-UHFFFAOYSA-N	-1	0	328.419	1.507	20	10		EDCDRM
O=C(c1ccccc1)c1ccc(O)c(CN2CCCNC(=O)C2)c1[O-]	ZINC000872824687	597087082	/nfs/dbraw/zinc/08/70/82/597087082.db2.gz	HFMBRSDYAJZWPJ-UHFFFAOYSA-N	-1	0	340.379	1.651	20	10		EDCDRM
Cc1cc(C(=O)N(C)Cc2nc(=O)o[n-]2)c(C)n1-c1ccccn1	ZINC000880387415	597920172	/nfs/dbraw/zinc/92/01/72/597920172.db2.gz	JIJXMWWOKMSHGW-UHFFFAOYSA-N	-1	0	327.344	1.438	20	10		EDCDRM
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1NC(=O)[O-]	ZINC000739141176	603185343	/nfs/dbraw/zinc/18/53/43/603185343.db2.gz	NXOCVOBMMVPEKT-IUODEOHRSA-N	-1	0	334.420	1.940	20	10		EDCDRM
O=C1N[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N2CCSC[C@H]12	ZINC000270789762	304680764	/nfs/dbraw/zinc/68/07/64/304680764.db2.gz	LHJXMCVLNJSRST-MWLCHTKSSA-N	-1	0	329.765	1.500	20	10		EDCDRM
C[C@H]1CCS(=O)(=O)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000192053568	442580005	/nfs/dbraw/zinc/58/00/05/442580005.db2.gz	NZEAYZYAAGRVEM-VIFPVBQESA-N	-1	0	348.808	1.963	20	10		EDCDRM
C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS(=O)(=O)C1	ZINC000192062619	442582600	/nfs/dbraw/zinc/58/26/00/442582600.db2.gz	QFNIBDIBNCWCOJ-VIFPVBQESA-N	-1	0	348.808	1.820	20	10		EDCDRM
CCCCN(C(=O)c1cccc(O)c1O)[C@@H]1CCS(=O)(=O)C1	ZINC000274986120	443617420	/nfs/dbraw/zinc/61/74/20/443617420.db2.gz	MDQHUDYKBKJKGZ-LLVKDONJSA-N	-1	0	327.402	1.527	20	10		EDCDRM
C[C@H]1CN(c2ccc(CNC(=O)CNC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000285550204	444025590	/nfs/dbraw/zinc/02/55/90/444025590.db2.gz	DZBZYQWZQGAQDS-QWRGUYRKSA-N	-1	0	339.367	1.323	20	10		EDCDRM
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccc(O)c1O	ZINC000293892663	444094819	/nfs/dbraw/zinc/09/48/19/444094819.db2.gz	MYPUUWBREHUMLY-PSASIEDQSA-N	-1	0	346.305	1.769	20	10		EDCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CC(=O)NCC(F)(F)F	ZINC000740677374	579377123	/nfs/dbraw/zinc/37/71/23/579377123.db2.gz	ZFKYOBKKXPBFII-UHFFFAOYSA-N	-1	0	345.321	1.885	20	10		EDCDRM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1S(N)(=O)=O	ZINC000743260120	579474305	/nfs/dbraw/zinc/47/43/05/579474305.db2.gz	WKPYHLJVYOHHNY-UHFFFAOYSA-N	-1	0	342.398	1.149	20	10		EDCDRM
CS(=O)(=O)CCCN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739981756	578486725	/nfs/dbraw/zinc/48/67/25/578486725.db2.gz	DNXFNIHHHSVBIV-UHFFFAOYSA-N	-1	0	326.418	1.642	20	10		EDCDRM
O=C(CNC(=O)C1=CC(=O)CS1)N1CCN(c2ccccc2)CC1	ZINC000731871247	578681803	/nfs/dbraw/zinc/68/18/03/578681803.db2.gz	HTLQVSXADJJVHZ-UHFFFAOYSA-N	-1	0	345.424	1.532	20	10		EDCDRM
Nc1ccc(Cc2nc(C(=O)OCc3n[nH]c(=O)[n-]3)cs2)cc1	ZINC000751937496	579828958	/nfs/dbraw/zinc/82/89/58/579828958.db2.gz	OZOWFFIPOQZRRP-UHFFFAOYSA-N	-1	0	331.357	1.497	20	10		EDCDRM
O=S(=O)([N-]c1cccc(-c2nn[nH]n2)c1)c1cccc2nonc21	ZINC000778662545	580469784	/nfs/dbraw/zinc/46/97/84/580469784.db2.gz	RFIFSFOKRDVQBH-UHFFFAOYSA-N	-1	0	343.328	1.204	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000793417547	580843623	/nfs/dbraw/zinc/84/36/23/580843623.db2.gz	XCUNCJSEQREJJB-UHFFFAOYSA-N	-1	0	325.346	1.022	20	10		EDCDRM
COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cn1	ZINC000795303509	580918343	/nfs/dbraw/zinc/91/83/43/580918343.db2.gz	HCXATCVLKVSPFC-UHFFFAOYSA-N	-1	0	349.412	1.728	20	10		EDCDRM
COc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(O)c1	ZINC000795358707	580919985	/nfs/dbraw/zinc/91/99/85/580919985.db2.gz	SVADASLOFNSCKD-UHFFFAOYSA-N	-1	0	339.329	1.183	20	10		EDCDRM
COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(F)cc(F)c2[O-])C1	ZINC000894581134	591351864	/nfs/dbraw/zinc/35/18/64/591351864.db2.gz	JPZQUYZWTRUATJ-FZMZJTMJSA-N	-1	0	331.359	1.516	20	10		EDCDRM
CN1CCN(Cc2cc(Br)cc(F)c2[O-])CCC1=O	ZINC000895277943	591697852	/nfs/dbraw/zinc/69/78/52/591697852.db2.gz	FMDFVXKMROZYAH-UHFFFAOYSA-N	-1	0	331.185	1.958	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C(=O)[O-])C(C)C)C2)cc1	ZINC000900291624	591974284	/nfs/dbraw/zinc/97/42/84/591974284.db2.gz	ZLUQYLWVUYPDLL-CJNGLKHVSA-N	-1	0	349.431	1.930	20	10		EDCDRM
Cc1nn(C)c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1Cl	ZINC000905016140	592368880	/nfs/dbraw/zinc/36/88/80/592368880.db2.gz	QSYJOPSLUYXSCG-CLTKARDFSA-N	-1	0	331.806	1.668	20	10		EDCDRM
CN1CCO[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC000908213710	592388518	/nfs/dbraw/zinc/38/85/18/592388518.db2.gz	YCDPIAFXKWGUMW-NSHDSACASA-N	-1	0	333.171	1.172	20	10		EDCDRM
COCCOCC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911354182	593002977	/nfs/dbraw/zinc/00/29/77/593002977.db2.gz	NTQWHIQBEKXQGO-UHFFFAOYSA-N	-1	0	331.752	1.122	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000911359843	593005457	/nfs/dbraw/zinc/00/54/57/593005457.db2.gz	IIRWLOZNIYTGSY-YABSGUDNSA-N	-1	0	325.748	1.351	20	10		EDCDRM
C[C@@H]1CO[C@@H](C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1	ZINC000911360830	593006300	/nfs/dbraw/zinc/00/63/00/593006300.db2.gz	YSIMWBZOCHVNTQ-TVQRCGJNSA-N	-1	0	327.764	1.884	20	10		EDCDRM
O=C(CN1CSCC1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807835245	593202756	/nfs/dbraw/zinc/20/27/56/593202756.db2.gz	BEKSZGNOBQPEJL-UHFFFAOYSA-N	-1	0	335.212	1.848	20	10		EDCDRM
CS(=O)(=O)NCCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807838121	593203250	/nfs/dbraw/zinc/20/32/50/593203250.db2.gz	IYETUPLBGSISDX-UHFFFAOYSA-N	-1	0	341.216	1.255	20	10		EDCDRM
C[C@@H](NS(C)(=O)=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807838870	593203262	/nfs/dbraw/zinc/20/32/62/593203262.db2.gz	AZNPMKANVIFKIJ-ZCFIWIBFSA-N	-1	0	341.216	1.253	20	10		EDCDRM
Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)c(C)n1-c1ccccc1C	ZINC000816731647	593544551	/nfs/dbraw/zinc/54/45/51/593544551.db2.gz	ZKRCDWDQPJUSJK-UHFFFAOYSA-N	-1	0	327.344	1.789	20	10		EDCDRM
CC(=O)N1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1	ZINC000825846671	594261098	/nfs/dbraw/zinc/26/10/98/594261098.db2.gz	BFJXVCUTSGIHMX-QZPNVGJNSA-N	-1	0	333.344	1.750	20	10		EDCDRM
C[C@@H]1CC[C@@H](C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)O1	ZINC000825868014	594265613	/nfs/dbraw/zinc/26/56/13/594265613.db2.gz	YTMVLFOFCBLHCL-DFBGVHRSSA-N	-1	0	335.404	1.745	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)Nc3ccn(CC(=O)[O-])n3)ccc21	ZINC000830946459	594520823	/nfs/dbraw/zinc/52/08/23/594520823.db2.gz	NRKAOBSONIIDCR-UHFFFAOYSA-N	-1	0	343.387	1.672	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)[O-])C3)CC2)cc1	ZINC000829425174	594611678	/nfs/dbraw/zinc/61/16/78/594611678.db2.gz	XVBDHYFOOQYMGO-AWEZNQCLSA-N	-1	0	347.415	1.734	20	10		EDCDRM
O=C([O-])N1CCOC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000831709162	594694836	/nfs/dbraw/zinc/69/48/36/594694836.db2.gz	PIKNTTRVRZBQMV-CQSZACIVSA-N	-1	0	334.372	1.266	20	10		EDCDRM
COc1ccc(N2CCN(CCNC(=O)[C@@H](C)CC(=O)[O-])CC2)cc1	ZINC000832383334	594746420	/nfs/dbraw/zinc/74/64/20/594746420.db2.gz	FZTNPXKNRMVQFQ-AWEZNQCLSA-N	-1	0	349.431	1.044	20	10		EDCDRM
CC(=O)N1CC[C@H](CN(C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000833389660	594838080	/nfs/dbraw/zinc/83/80/80/594838080.db2.gz	FAZWRPHXPUQLMH-KXQLTZBTSA-N	-1	0	347.371	1.997	20	10		EDCDRM
COc1ccc(O)c(CNS(=O)(=O)c2cc(C(=O)[O-])co2)c1	ZINC000833733176	594918296	/nfs/dbraw/zinc/91/82/96/594918296.db2.gz	BHLAFJMJPXZHDK-UHFFFAOYSA-N	-1	0	327.314	1.171	20	10		EDCDRM
COc1ccc(O)c(CNS(=O)(=O)c2ccccc2C(=O)[O-])c1	ZINC000833733791	594918451	/nfs/dbraw/zinc/91/84/51/594918451.db2.gz	QAESGYRUZKWTBI-UHFFFAOYSA-N	-1	0	337.353	1.578	20	10		EDCDRM
O=C([O-])c1cnn2c1[nH]c(CN1CCC(C(F)(F)F)CC1)cc2=O	ZINC000846233881	595181915	/nfs/dbraw/zinc/18/19/15/595181915.db2.gz	BFDZPMAILOMRKQ-UHFFFAOYSA-N	-1	0	344.293	1.907	20	10		EDCDRM
COc1ccc2c(c1)c1c(n2CC(=O)[N-]S(C)(=O)=O)CCCC1	ZINC000845434471	595496665	/nfs/dbraw/zinc/49/66/65/595496665.db2.gz	ASAXQHKTFVDAFM-UHFFFAOYSA-N	-1	0	336.413	1.605	20	10		EDCDRM
COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccccc3[O-])C2)cc1	ZINC000849417463	595523775	/nfs/dbraw/zinc/52/37/75/595523775.db2.gz	RLIUWZHRZJJUSS-ZDUSSCGKSA-N	-1	0	348.424	1.958	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cc(C)on2)cc1	ZINC000853004354	595639086	/nfs/dbraw/zinc/63/90/86/595639086.db2.gz	IUPYNYOUNWTNJY-UHFFFAOYSA-N	-1	0	333.344	1.199	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@]2(C)CCCO2)cc1	ZINC000853006990	595640124	/nfs/dbraw/zinc/64/01/24/595640124.db2.gz	ZWBSIPXIIZDYNK-QGZVFWFLSA-N	-1	0	336.388	1.272	20	10		EDCDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(F)F)c(C)n1-c1ccccn1	ZINC000851357533	595780312	/nfs/dbraw/zinc/78/03/12/595780312.db2.gz	FLCWTDBWFLLJAT-UHFFFAOYSA-N	-1	0	343.355	1.814	20	10		EDCDRM
CC(=O)c1cc(=O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)[n-]1	ZINC000871945307	596754609	/nfs/dbraw/zinc/75/46/09/596754609.db2.gz	ZLQUMQVKFWEDJS-UHFFFAOYSA-N	-1	0	334.275	1.662	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)C2)cc1	ZINC000872877447	597107360	/nfs/dbraw/zinc/10/73/60/597107360.db2.gz	IJIIRJNXCMXXCY-GLQYFDAESA-N	-1	0	332.400	1.747	20	10		EDCDRM
CC[C@H](CSC)NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872974122	597146469	/nfs/dbraw/zinc/14/64/69/597146469.db2.gz	PMVJQWAQSPLFQC-GFCCVEGCSA-N	-1	0	340.445	1.844	20	10		EDCDRM
CCN1C(=S)N=NC1CCNC(=O)NCc1c(O)cccc1F	ZINC000922863579	704442797	/nfs/dbraw/zinc/44/27/97/704442797.db2.gz	IVJNVNXMMORUGR-UHFFFAOYSA-N	-1	0	339.396	1.473	20	10		EDCDRM
NS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000372738669	250225456	/nfs/dbraw/zinc/22/54/56/250225456.db2.gz	JRVBCWCZONKFQW-SNVBAGLBSA-N	-1	0	339.244	1.952	20	10		EDCDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1nc(-c2cnn(C)c2)cs1	ZINC000743049264	579468966	/nfs/dbraw/zinc/46/89/66/579468966.db2.gz	GCISEHHGUFBLPE-UHFFFAOYSA-N	-1	0	339.402	1.949	20	10		EDCDRM
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2COCCN2C(=O)[O-])cc1	ZINC000739411498	579202185	/nfs/dbraw/zinc/20/21/85/579202185.db2.gz	NDWBWAFHORJKFR-MRXNPFEDSA-N	-1	0	349.431	1.870	20	10		EDCDRM
O=C([O-])Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)nn1	ZINC000759073521	579997895	/nfs/dbraw/zinc/99/78/95/579997895.db2.gz	OLMSBVDDTZLPPY-WDZFZDKYSA-N	-1	0	346.393	1.769	20	10		EDCDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1	ZINC000766047064	580157404	/nfs/dbraw/zinc/15/74/04/580157404.db2.gz	DTJOSVBXLYTGTG-UHFFFAOYSA-N	-1	0	329.765	1.783	20	10		EDCDRM
O=C([O-])[C@@H]1COCCN1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000780399631	580521433	/nfs/dbraw/zinc/52/14/33/580521433.db2.gz	ZETFOCYCDGSQDE-HNNXBMFYSA-N	-1	0	333.388	1.282	20	10		EDCDRM
CCn1nc(C)c(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)n1	ZINC000840729421	591335358	/nfs/dbraw/zinc/33/53/58/591335358.db2.gz	BXVUCOMBKHUKFD-JXMROGBWSA-N	-1	0	340.430	1.672	20	10		EDCDRM
C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1CS(N)(=O)=O	ZINC000897610989	591583957	/nfs/dbraw/zinc/58/39/57/591583957.db2.gz	YNHXHFVZAFGBEU-SCZZXKLOSA-N	-1	0	336.816	1.541	20	10		EDCDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000908846576	592640468	/nfs/dbraw/zinc/64/04/68/592640468.db2.gz	AEQOSABIGHCKLO-INIZCTEOSA-N	-1	0	349.431	1.918	20	10		EDCDRM
COc1ccc(N2CCN(c3ncc(C(=O)[O-])c(C)n3)CC2)cc1F	ZINC000910302965	592826277	/nfs/dbraw/zinc/82/62/77/592826277.db2.gz	DXNJEIWMMVJLQL-UHFFFAOYSA-N	-1	0	346.362	1.958	20	10		EDCDRM
C[C@]1(Br)C[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911488755	592929517	/nfs/dbraw/zinc/92/95/17/592929517.db2.gz	NOGHAMUVHGEDRI-YGRLFVJLSA-N	-1	0	342.189	1.979	20	10		EDCDRM
O=C([O-])C12CC(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)(C1)C2	ZINC000911226887	592969436	/nfs/dbraw/zinc/96/94/36/592969436.db2.gz	MXEFKAUVTFUPMA-UHFFFAOYSA-N	-1	0	348.374	1.533	20	10		EDCDRM
Cc1cc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c(C)n1-c1ccccn1	ZINC000911633011	592970440	/nfs/dbraw/zinc/97/04/40/592970440.db2.gz	AACJZGQBQAIUCU-ZBFHGGJFSA-N	-1	0	343.383	1.539	20	10		EDCDRM
CCN(CC)c1ccc(CN(C)C(=O)N=c2nn[n-]n2CC)cc1	ZINC000888343524	593032147	/nfs/dbraw/zinc/03/21/47/593032147.db2.gz	MGCXRRNCQVBDGO-UHFFFAOYSA-N	-1	0	331.424	1.625	20	10		EDCDRM
CCn1[n-]nnc1=NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	ZINC000888344898	593032336	/nfs/dbraw/zinc/03/23/36/593032336.db2.gz	NOFYKVAOCIEHON-UHFFFAOYSA-N	-1	0	343.435	1.769	20	10		EDCDRM
CCS(=O)(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807837338	593202945	/nfs/dbraw/zinc/20/29/45/593202945.db2.gz	LXWOFZPULFZRDO-UHFFFAOYSA-N	-1	0	326.201	1.750	20	10		EDCDRM
C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])N1CCN(C)CC1	ZINC000807839543	593203236	/nfs/dbraw/zinc/20/32/36/593203236.db2.gz	HCXBVQXOAWNVGW-JTQLQIEISA-N	-1	0	346.258	1.951	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)NCCCCCC(=O)[O-])cc1	ZINC000817116226	593572461	/nfs/dbraw/zinc/57/24/61/593572461.db2.gz	ZANHTARHXUNDSA-UHFFFAOYSA-N	-1	0	349.431	1.472	20	10		EDCDRM
CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](CO)O1	ZINC000817412068	593603107	/nfs/dbraw/zinc/60/31/07/593603107.db2.gz	CHFDJJHZJSNGFF-NSHDSACASA-N	-1	0	330.768	1.926	20	10		EDCDRM
C[C@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)NC(=O)[O-]	ZINC000824558633	594038262	/nfs/dbraw/zinc/03/82/62/594038262.db2.gz	UJOXOGYDGOMRRF-CYBMUJFWSA-N	-1	0	335.404	1.528	20	10		EDCDRM
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C(=O)[O-]	ZINC000826007552	594304772	/nfs/dbraw/zinc/30/47/72/594304772.db2.gz	LYZUWSNMZXSOIZ-CQSZACIVSA-N	-1	0	344.415	1.957	20	10		EDCDRM
CCC1N=NC(=S)N1CCNC(=O)c1c(F)ccc(O)c1O	ZINC000826091274	594329238	/nfs/dbraw/zinc/32/92/38/594329238.db2.gz	AWGKQXSXQBXMQI-UHFFFAOYSA-N	-1	0	326.353	1.110	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000830072895	594331116	/nfs/dbraw/zinc/33/11/16/594331116.db2.gz	LCAIYQMPRNICSK-OAHLLOKOSA-N	-1	0	334.420	1.955	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(=O)[nH]c2)NC(=O)[O-])cc1	ZINC000828063818	594333135	/nfs/dbraw/zinc/33/31/35/594333135.db2.gz	IPICWPYFKNOTSY-CQSZACIVSA-N	-1	0	344.371	1.592	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccc(=O)[nH]c2)NC(=O)[O-])cc1	ZINC000828063817	594333352	/nfs/dbraw/zinc/33/33/52/594333352.db2.gz	IPICWPYFKNOTSY-AWEZNQCLSA-N	-1	0	344.371	1.592	20	10		EDCDRM
Cc1cnc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cn1	ZINC000830619168	594440291	/nfs/dbraw/zinc/44/02/91/594440291.db2.gz	BPGMOZFMCHECKG-AWEZNQCLSA-N	-1	0	343.387	1.590	20	10		EDCDRM
COc1ccc(N2CCN(CCNC(=O)[C@H](C)CC(=O)[O-])CC2)cc1	ZINC000832383336	594746391	/nfs/dbraw/zinc/74/63/91/594746391.db2.gz	FZTNPXKNRMVQFQ-CQSZACIVSA-N	-1	0	349.431	1.044	20	10		EDCDRM
O=C([O-])NC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	ZINC000832392446	594746974	/nfs/dbraw/zinc/74/69/74/594746974.db2.gz	VIYRNWMLJWNQLE-UHFFFAOYSA-N	-1	0	336.304	1.162	20	10		EDCDRM
O=C(CS(=O)(=O)C1CC1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000832712094	594770991	/nfs/dbraw/zinc/77/09/91/594770991.db2.gz	BSQVCFOMGJLDHM-UHFFFAOYSA-N	-1	0	338.212	1.892	20	10		EDCDRM
C[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000833739934	594919304	/nfs/dbraw/zinc/91/93/04/594919304.db2.gz	YFMMTSMQKVHGEE-LBPRGKRZSA-N	-1	0	335.404	1.168	20	10		EDCDRM
O=C([O-])[C@H](O)C1CC[NH+](Cc2cccc(Br)c2[O-])CC1	ZINC000833770278	594926035	/nfs/dbraw/zinc/92/60/35/594926035.db2.gz	BRQTVSBNQUOAFW-CYBMUJFWSA-N	-1	0	344.205	1.812	20	10		EDCDRM
Cc1cc([C@H]2CCCN2Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)no1	ZINC000846236393	595182474	/nfs/dbraw/zinc/18/24/74/595182474.db2.gz	STCWGMXLTUPBOR-CYBMUJFWSA-N	-1	0	343.343	1.767	20	10		EDCDRM
CN(C[C@@H](O)COC1CCOCC1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279819	595195872	/nfs/dbraw/zinc/19/58/72/595195872.db2.gz	MMPYROVTDRKWDB-CQSZACIVSA-N	-1	0	339.388	1.143	20	10		EDCDRM
CC(C)[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000848575789	595406766	/nfs/dbraw/zinc/40/67/66/595406766.db2.gz	BCXMAJPJMDCYDC-INIZCTEOSA-N	-1	0	349.431	1.679	20	10		EDCDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852950309	595624830	/nfs/dbraw/zinc/62/48/30/595624830.db2.gz	HANUVSGQULBWQN-SFHVURJKSA-N	-1	0	332.400	1.640	20	10		EDCDRM
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000851686947	595885595	/nfs/dbraw/zinc/88/55/95/595885595.db2.gz	KOWASLBVUADRNI-UHFFFAOYSA-N	-1	0	348.399	1.502	20	10		EDCDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]N=c1[nH]c2cccnc2s1	ZINC000857225695	596190880	/nfs/dbraw/zinc/19/08/80/596190880.db2.gz	QOMNZIDFLNATCB-UHFFFAOYSA-N	-1	0	344.418	1.137	20	10		EDCDRM
COC[C@]1(C)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000863482883	596594669	/nfs/dbraw/zinc/59/46/69/596594669.db2.gz	MNTXFFURSZEINC-NBUZRDOWSA-N	-1	0	336.344	1.934	20	10		EDCDRM
C[C@H](NC(=O)CCCc1nnn[n-]1)c1ccc(N2CCOCC2)cc1	ZINC000874197463	596964467	/nfs/dbraw/zinc/96/44/67/596964467.db2.gz	WSHAULFUHHPVSK-ZDUSSCGKSA-N	-1	0	344.419	1.236	20	10		EDCDRM
C[C@@H](NC(=O)C1CC(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000872839856	597092640	/nfs/dbraw/zinc/09/26/40/597092640.db2.gz	FNIUCCCEQXBNMX-LRVUVFPRSA-N	-1	0	332.400	1.811	20	10		EDCDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000268876392	600160117	/nfs/dbraw/zinc/16/01/17/600160117.db2.gz	BGVISOSXNHOGOZ-HZPDHXFCSA-N	-1	0	332.400	1.232	20	10		EDCDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1ccc(N(C)C)cc1	ZINC000739202428	603108701	/nfs/dbraw/zinc/10/87/01/603108701.db2.gz	OACWAAFJLQMHCK-BXUZGUMPSA-N	-1	0	335.404	1.872	20	10		EDCDRM
Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000029403966	441458173	/nfs/dbraw/zinc/45/81/73/441458173.db2.gz	BKTCWJNDMYCNTN-UHFFFAOYSA-N	-1	0	348.409	1.899	20	10		EDCDRM
O=C1N[C@H](c2cc(Br)ccc2O)N2CCSC[C@@H]12	ZINC000270829295	443482108	/nfs/dbraw/zinc/48/21/08/443482108.db2.gz	UATGSNYIFAGMOC-ONGXEEELSA-N	-1	0	329.219	1.701	20	10		EDCDRM
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000267698161	443545999	/nfs/dbraw/zinc/54/59/99/443545999.db2.gz	ZHKOMYNEQIPFDY-UHFFFAOYSA-N	-1	0	344.415	1.603	20	10		EDCDRM
CSCCO[N-]C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000284152054	443767788	/nfs/dbraw/zinc/76/77/88/443767788.db2.gz	QNWOBBXWVZILPU-UHFFFAOYSA-N	-1	0	337.445	1.314	20	10		EDCDRM
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277251890	443950728	/nfs/dbraw/zinc/95/07/28/443950728.db2.gz	DWOAHMNKKNGGLY-MRVPVSSYSA-N	-1	0	348.321	1.602	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C(=O)[O-])cn1	ZINC000296797780	444255272	/nfs/dbraw/zinc/25/52/72/444255272.db2.gz	NPJDEEBOFDXVRS-UHFFFAOYSA-N	-1	0	328.372	1.903	20	10		EDCDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)[C@@H]1Cc2cccc(F)c2O1	ZINC000363441679	445805529	/nfs/dbraw/zinc/80/55/29/445805529.db2.gz	JICIOEJCPSHYHW-QWRGUYRKSA-N	-1	0	341.360	1.657	20	10		EDCDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)[C@@H]1Cc2cc(F)ccc2O1	ZINC000366815759	446366646	/nfs/dbraw/zinc/36/66/46/446366646.db2.gz	QRXVJMPFALIVPF-JQWIXIFHSA-N	-1	0	341.360	1.657	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[n-]n2c1nccc2=O	ZINC000773885392	580348502	/nfs/dbraw/zinc/34/85/02/580348502.db2.gz	RUSBCPIHEWORJV-UHFFFAOYSA-N	-1	0	339.399	1.751	20	10		EDCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1[O-]	ZINC000790407408	580768949	/nfs/dbraw/zinc/76/89/49/580768949.db2.gz	LDSKCFJSKVLIBQ-UHFFFAOYSA-N	-1	0	342.398	1.101	20	10		EDCDRM
COC(=O)[C@](C)(Cn1cccn1)NCc1cc(F)cc(F)c1[O-]	ZINC000898343595	591878563	/nfs/dbraw/zinc/87/85/63/591878563.db2.gz	YHTDBGVBKYGQIZ-HNNXBMFYSA-N	-1	0	325.315	1.588	20	10		EDCDRM
Cc1c([C@H](NCc2cc(F)c(N(C)C)cc2F)C(=O)[O-])cnn1C	ZINC000904048181	592420543	/nfs/dbraw/zinc/42/05/43/592420543.db2.gz	NTHDLXXYOLTDRQ-HNNXBMFYSA-N	-1	0	338.358	1.988	20	10		EDCDRM
O=C([O-])c1coc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	ZINC000911226012	592969046	/nfs/dbraw/zinc/96/90/46/592969046.db2.gz	AZWPWUBZEVPZBA-UHFFFAOYSA-N	-1	0	348.330	1.884	20	10		EDCDRM
CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000817898581	593647161	/nfs/dbraw/zinc/64/71/61/593647161.db2.gz	JLEQUXKIUFHUMX-UHFFFAOYSA-N	-1	0	336.388	1.454	20	10		EDCDRM
C[C@@H](NC(=O)C1(NC(=O)[O-])CC1)c1ccc(N2CCOCC2)cc1	ZINC000825081337	594127631	/nfs/dbraw/zinc/12/76/31/594127631.db2.gz	CFTWEKHDUTZRML-GFCCVEGCSA-N	-1	0	333.388	1.501	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)NC2CN(C(=O)[O-])C2)cc1F	ZINC000829687699	594239986	/nfs/dbraw/zinc/23/99/86/594239986.db2.gz	OMTNXQKDCYFTOF-UHFFFAOYSA-N	-1	0	338.383	1.833	20	10		EDCDRM
CN(C)c1ccc(CN(C(=O)COC2CN(C(=O)[O-])C2)C2CC2)cc1	ZINC000828067124	594334148	/nfs/dbraw/zinc/33/41/48/594334148.db2.gz	FSXYUCUKUVBOFG-UHFFFAOYSA-N	-1	0	347.415	1.622	20	10		EDCDRM
CN(C)c1ccc(CN(C)CN2CC3(CN(C(=O)[O-])C3)CC2=O)cc1	ZINC000828354728	594399371	/nfs/dbraw/zinc/39/93/71/594399371.db2.gz	BAGBOSXKKACLEE-UHFFFAOYSA-N	-1	0	346.431	1.354	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000830643864	594445828	/nfs/dbraw/zinc/44/58/28/594445828.db2.gz	OOBPBTUBQIDBQK-UHFFFAOYSA-N	-1	0	347.415	1.275	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCCC(=O)[O-]	ZINC000830644444	594446013	/nfs/dbraw/zinc/44/60/13/594446013.db2.gz	ZVHIXSBWMNDHRX-UHFFFAOYSA-N	-1	0	328.390	1.146	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)NCC2(C(=O)[O-])CCOCC2)cc1	ZINC000831068394	594548120	/nfs/dbraw/zinc/54/81/20/594548120.db2.gz	UNIHYZCRYFUNID-UHFFFAOYSA-N	-1	0	349.431	1.775	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000827052052	594631086	/nfs/dbraw/zinc/63/10/86/594631086.db2.gz	LTARGUKHJOYLTP-HNNXBMFYSA-N	-1	0	335.404	1.528	20	10		EDCDRM
Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1C(=O)[O-]	ZINC000832940309	594786173	/nfs/dbraw/zinc/78/61/73/594786173.db2.gz	XHNSNACHPNWYCU-UHFFFAOYSA-N	-1	0	342.351	1.996	20	10		EDCDRM
O=C([O-])c1cn(CC(=O)NCc2ccc(N3CCCCC3)cc2)nn1	ZINC000833120685	594799348	/nfs/dbraw/zinc/79/93/48/594799348.db2.gz	MVVVZLOHOFUNPZ-UHFFFAOYSA-N	-1	0	343.387	1.283	20	10		EDCDRM
COc1ccc(O)c(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)c1	ZINC000833733973	594918293	/nfs/dbraw/zinc/91/82/93/594918293.db2.gz	XMNYXMRSVKSMGH-UHFFFAOYSA-N	-1	0	329.374	1.075	20	10		EDCDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)C[C@H](OC)C(C)C	ZINC000842587037	595133268	/nfs/dbraw/zinc/13/32/68/595133268.db2.gz	UKHUYAIKFOYZSS-ZDUSSCGKSA-N	-1	0	349.380	1.731	20	10		EDCDRM
NS(=O)(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000846159744	595161544	/nfs/dbraw/zinc/16/15/44/595161544.db2.gz	JLMGIFMOKNMVQR-UHFFFAOYSA-N	-1	0	339.200	1.136	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC[C@@H](C(=O)[O-])O3)C2)cc1	ZINC000849182608	595491740	/nfs/dbraw/zinc/49/17/40/595491740.db2.gz	HAPSCASXDYKPQT-CQDKDKBSSA-N	-1	0	334.372	1.022	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CSC[C@H]2C)cc1	ZINC000853008763	595640939	/nfs/dbraw/zinc/64/09/39/595640939.db2.gz	YSLPISQHBUVVIH-BXUZGUMPSA-N	-1	0	338.429	1.454	20	10		EDCDRM
COc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1C(=O)[O-]	ZINC000865217444	596516323	/nfs/dbraw/zinc/51/63/23/596516323.db2.gz	MGSFVBNVUSRVBE-UKTHLTGXSA-N	-1	0	348.380	1.696	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cnc(C)s2)cc1	ZINC000872909023	597120380	/nfs/dbraw/zinc/12/03/80/597120380.db2.gz	BRXDLTCQYLAMEA-UHFFFAOYSA-N	-1	0	349.412	1.668	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCO[C@@H](C)[C@@H]2C)cc1	ZINC000872949131	597137263	/nfs/dbraw/zinc/13/72/63/597137263.db2.gz	JXDGDDZHXBXHLW-STQMWFEESA-N	-1	0	336.388	1.222	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H](C)SC)cc1	ZINC000872963090	597141682	/nfs/dbraw/zinc/14/16/82/597141682.db2.gz	FITVSGSRRACDHZ-LLVKDONJSA-N	-1	0	326.418	1.454	20	10		EDCDRM
O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cccnc1F	ZINC000882679963	598021229	/nfs/dbraw/zinc/02/12/29/598021229.db2.gz	HAWZJAGABYJMEV-UHFFFAOYSA-N	-1	0	337.376	1.858	20	10		EDCDRM
CC(C)N(CCC(=O)NCc1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000738841561	601896839	/nfs/dbraw/zinc/89/68/39/601896839.db2.gz	XPPJTFKLSBVQER-UHFFFAOYSA-N	-1	0	349.431	1.918	20	10		EDCDRM
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1NC(=O)[O-]	ZINC000739141178	603185272	/nfs/dbraw/zinc/18/52/72/603185272.db2.gz	NXOCVOBMMVPEKT-WFASDCNBSA-N	-1	0	334.420	1.940	20	10		EDCDRM
O=C1NCCCC[C@@H]1N1CCN(Cc2cccc(Cl)c2[O-])CC1	ZINC000378442898	447428316	/nfs/dbraw/zinc/42/83/16/447428316.db2.gz	LKLGGUHQSIIHJC-HNNXBMFYSA-N	-1	0	337.851	1.832	20	10		EDCDRM
COc1cc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)ccc1O	ZINC000280505668	443732680	/nfs/dbraw/zinc/73/26/80/443732680.db2.gz	DECFONIGNLKXQA-NSHDSACASA-N	-1	0	339.373	1.360	20	10		EDCDRM
O=C([O-])N1CSC[C@@H]1C(=O)NCCCSc1nccs1	ZINC000740430242	579345664	/nfs/dbraw/zinc/34/56/64/579345664.db2.gz	GSACPZYGFRPMFG-MRVPVSSYSA-N	-1	0	333.460	1.794	20	10		EDCDRM
O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000740570418	579362436	/nfs/dbraw/zinc/36/24/36/579362436.db2.gz	NJYAYHQGUGSARR-HZPDHXFCSA-N	-1	0	347.415	1.576	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)CC(C)(C)NC(=O)[O-])CC2)cc1	ZINC000739908107	578368897	/nfs/dbraw/zinc/36/88/97/578368897.db2.gz	GHRHKHSEVUJTJG-UHFFFAOYSA-N	-1	0	335.404	1.780	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)N3CC[C@@H](NC(=O)[O-])C3)ccc21	ZINC000739729203	579242478	/nfs/dbraw/zinc/24/24/78/579242478.db2.gz	CAZRVMLLGGUCMI-CQSZACIVSA-N	-1	0	332.404	1.621	20	10		EDCDRM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCCOCC2)c1	ZINC000748070620	579668376	/nfs/dbraw/zinc/66/83/76/579668376.db2.gz	WGOUFVOYOAKIFX-UHFFFAOYSA-N	-1	0	348.443	1.649	20	10		EDCDRM
CCOC(=O)[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000769465479	580237759	/nfs/dbraw/zinc/23/77/59/580237759.db2.gz	DKKDWDHXKNUGRK-LBPRGKRZSA-N	-1	0	344.751	1.718	20	10		EDCDRM
CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000775651984	580396432	/nfs/dbraw/zinc/39/64/32/580396432.db2.gz	DJZDXBWEEDVXSS-LLVKDONJSA-N	-1	0	336.816	1.698	20	10		EDCDRM
CN(CC(=O)[O-])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000780610409	580528644	/nfs/dbraw/zinc/52/86/44/580528644.db2.gz	PTCJJNXLESQOEW-UHFFFAOYSA-N	-1	0	339.367	1.013	20	10		EDCDRM
CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1	ZINC000894740110	591404514	/nfs/dbraw/zinc/40/45/14/591404514.db2.gz	OMYLIHSFSDDKCV-LBPRGKRZSA-N	-1	0	334.388	1.526	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)cc1	ZINC000899850710	591961576	/nfs/dbraw/zinc/96/15/76/591961576.db2.gz	IXOFOBNPHIZNHQ-VBNZEHGJSA-N	-1	0	332.400	1.891	20	10		EDCDRM
COC1(C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C(=O)[O-])CCC1	ZINC000908758592	592601597	/nfs/dbraw/zinc/60/15/97/592601597.db2.gz	NZWWFCSUZQDIJK-HNNXBMFYSA-N	-1	0	349.431	1.964	20	10		EDCDRM
COCCn1nnc2c1CCN(Cc1c([O-])ccc(Cl)c1F)C2	ZINC000816636711	593536542	/nfs/dbraw/zinc/53/65/42/593536542.db2.gz	FRXLNVWUVIFEDM-UHFFFAOYSA-N	-1	0	340.786	1.981	20	10		EDCDRM
CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000817354136	593594531	/nfs/dbraw/zinc/59/45/31/593594531.db2.gz	TVHVQBANYACIGO-LLVKDONJSA-N	-1	0	331.390	1.893	20	10		EDCDRM
CC(C)C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000818658573	593710772	/nfs/dbraw/zinc/71/07/72/593710772.db2.gz	VHGCLJAYVDPOCC-CQSZACIVSA-N	-1	0	349.431	1.232	20	10		EDCDRM
Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c(C)n1-c1ccccn1	ZINC000823842339	593870350	/nfs/dbraw/zinc/87/03/50/593870350.db2.gz	MIMMBHCBWSQRHO-CQSZACIVSA-N	-1	0	329.356	1.415	20	10		EDCDRM
CCN(C)c1ccc(Cn2nc(C)c(C)c(-c3nnn[n-]3)c2=O)cc1	ZINC000821165403	593981248	/nfs/dbraw/zinc/98/12/48/593981248.db2.gz	RAWVVUGCDZHXAS-UHFFFAOYSA-N	-1	0	339.403	1.545	20	10		EDCDRM
COCCN(C)S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000821191231	593986852	/nfs/dbraw/zinc/98/68/52/593986852.db2.gz	KLXGYRFALXZADQ-UHFFFAOYSA-N	-1	0	329.205	1.934	20	10		EDCDRM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000822210804	594010742	/nfs/dbraw/zinc/01/07/42/594010742.db2.gz	ROHRGODXIWNXIP-UHFFFAOYSA-N	-1	0	332.345	1.077	20	10		EDCDRM
Cc1cc(CC(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)no1	ZINC000830030561	594319851	/nfs/dbraw/zinc/31/98/51/594319851.db2.gz	OUZYCESINDLGEV-HNNXBMFYSA-N	-1	0	346.387	1.717	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2cscn2)NC(=O)[O-])cc1	ZINC000828064692	594333617	/nfs/dbraw/zinc/33/36/17/594333617.db2.gz	WDOXPRFPDBLOPQ-LBPRGKRZSA-N	-1	0	334.401	1.948	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2COC(=O)C2)NC(=O)[O-])cc1	ZINC000828064846	594333788	/nfs/dbraw/zinc/33/37/88/594333788.db2.gz	ZWHTULRWWRUKIN-FZMZJTMJSA-N	-1	0	349.387	1.131	20	10		EDCDRM
CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000826912085	594600308	/nfs/dbraw/zinc/60/03/08/594600308.db2.gz	OUBHCMGZVVAGHX-CQSZACIVSA-N	-1	0	336.388	1.900	20	10		EDCDRM
COc1ccc(O)c([C@H](C)NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)c1	ZINC000829483776	594623739	/nfs/dbraw/zinc/62/37/39/594623739.db2.gz	KOWJDRDCACADJS-VFZGTOFNSA-N	-1	0	326.324	1.670	20	10		EDCDRM
C[C@H](CC(=O)[O-])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000827295011	594659208	/nfs/dbraw/zinc/65/92/08/594659208.db2.gz	AZQWDTLPWBYINL-TZMCWYRMSA-N	-1	0	347.415	1.115	20	10		EDCDRM
O=C([O-])N1CC(OCC(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000831534334	594681503	/nfs/dbraw/zinc/68/15/03/594681503.db2.gz	XKDTXTOWYKTQQN-UHFFFAOYSA-N	-1	0	334.372	1.266	20	10		EDCDRM
C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	ZINC000833824868	594940354	/nfs/dbraw/zinc/94/03/54/594940354.db2.gz	JOAYSZVTPRNHIL-YVEFUNNKSA-N	-1	0	336.388	1.973	20	10		EDCDRM
COCCO[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000844214411	595304185	/nfs/dbraw/zinc/30/41/85/595304185.db2.gz	PXNYSHYBHKLECP-MASHWEEQSA-N	-1	0	336.344	1.934	20	10		EDCDRM
CCO/C=C/[C@](O)(CNC(=O)c1cccc(O)c1O)C(F)(F)F	ZINC000848177347	595334248	/nfs/dbraw/zinc/33/42/48/595334248.db2.gz	HWRSBKJSKDRBON-YBJDMEARSA-N	-1	0	335.278	1.671	20	10		EDCDRM
CCO[N-]C(=O)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	ZINC000845552975	595518078	/nfs/dbraw/zinc/51/80/78/595518078.db2.gz	ODDGYUJGPPXKID-UHFFFAOYSA-N	-1	0	334.420	1.494	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CSC[C@@H]2C)cc1	ZINC000853008766	595640963	/nfs/dbraw/zinc/64/09/63/595640963.db2.gz	YSLPISQHBUVVIH-SMDDNHRTSA-N	-1	0	338.429	1.454	20	10		EDCDRM
C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000851651084	595868461	/nfs/dbraw/zinc/86/84/61/595868461.db2.gz	NSGYPAHFYQBSGD-WPKBUWHJSA-N	-1	0	347.415	1.556	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000851680374	595882246	/nfs/dbraw/zinc/88/22/46/595882246.db2.gz	HHLYFAWIJPXXGT-UHFFFAOYSA-N	-1	0	347.415	1.048	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CCCOCC2)cc1	ZINC000872967376	597143742	/nfs/dbraw/zinc/14/37/42/597143742.db2.gz	HIKBVEILRZWPFO-CYBMUJFWSA-N	-1	0	336.388	1.272	20	10		EDCDRM
C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCN1C(=O)[O-]	ZINC000739168843	603361494	/nfs/dbraw/zinc/36/14/94/603361494.db2.gz	DFAODXBUJMCTIQ-ZDUSSCGKSA-N	-1	0	334.420	1.053	20	10		EDCDRM
CCCCN(Cc1ccccc1O)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000282570611	443377950	/nfs/dbraw/zinc/37/79/50/443377950.db2.gz	VEQXPXFBVATXKJ-UHFFFAOYSA-N	-1	0	336.417	1.725	20	10		EDCDRM
O=C1NCc2c1cccc2[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000564059710	448321487	/nfs/dbraw/zinc/32/14/87/448321487.db2.gz	LINMGFPVQQSNGD-UHFFFAOYSA-N	-1	0	346.393	1.736	20	10		EDCDRM
CNC(=O)NC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1	ZINC000529641951	448914891	/nfs/dbraw/zinc/91/48/91/448914891.db2.gz	KWAMSUYKUDEOCZ-LLVKDONJSA-N	-1	0	348.230	1.829	20	10		EDCDRM
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(O)cc1C	ZINC000740705733	579379862	/nfs/dbraw/zinc/37/98/62/579379862.db2.gz	LKSCMOZQWSNABK-UHFFFAOYSA-N	-1	0	339.373	1.710	20	10		EDCDRM
O=C([O-])NCCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000739958033	578479428	/nfs/dbraw/zinc/47/94/28/578479428.db2.gz	AJUOCGOCYFBZNH-UHFFFAOYSA-N	-1	0	339.367	1.326	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000775286484	580387246	/nfs/dbraw/zinc/38/72/46/580387246.db2.gz	JYCIOYHCSRJSCK-UHFFFAOYSA-N	-1	0	345.764	1.367	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC000775286668	580387366	/nfs/dbraw/zinc/38/73/66/580387366.db2.gz	LLKQGXSSRGNKEB-UHFFFAOYSA-N	-1	0	345.764	1.367	20	10		EDCDRM
Cn1ncc(Br)c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000782325054	580572005	/nfs/dbraw/zinc/57/20/05/580572005.db2.gz	KPFVVXYZBKIIIJ-YFHOEESVSA-N	-1	0	347.172	1.644	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000795349081	580919728	/nfs/dbraw/zinc/91/97/28/580919728.db2.gz	UZAJKXJTEUJGQZ-UHFFFAOYSA-N	-1	0	325.346	1.022	20	10		EDCDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000901960156	591878832	/nfs/dbraw/zinc/87/88/32/591878832.db2.gz	DWMPYKYKMDWWKJ-HUUCEWRRSA-N	-1	0	334.441	1.967	20	10		EDCDRM
CO[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)[C@@H](C(=O)[O-])C1	ZINC000909042608	592711936	/nfs/dbraw/zinc/71/19/36/592711936.db2.gz	IDLUSZJKTUJAMF-JKSUJKDBSA-N	-1	0	349.431	1.835	20	10		EDCDRM
CO[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)[C@](C)(C(=O)[O-])C1	ZINC000909042580	592712176	/nfs/dbraw/zinc/71/21/76/592712176.db2.gz	HLYVXKNXZOSSJT-YJBOKZPZSA-N	-1	0	349.431	1.835	20	10		EDCDRM
CCN(CC(=O)[O-])C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000909132006	592737606	/nfs/dbraw/zinc/73/76/06/592737606.db2.gz	NIJVVDXPDGPMCR-CYBMUJFWSA-N	-1	0	335.404	1.638	20	10		EDCDRM
COc1ccc(N2CCN(c3cc(C(=O)[O-])ncn3)CC2)c(OC)c1	ZINC000910340606	592838055	/nfs/dbraw/zinc/83/80/55/592838055.db2.gz	ZSZMHLDXFLAUOC-UHFFFAOYSA-N	-1	0	344.371	1.519	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)COCC(F)F	ZINC000911359563	593005476	/nfs/dbraw/zinc/00/54/76/593005476.db2.gz	ANVJLBQYXSLBGT-UHFFFAOYSA-N	-1	0	337.706	1.741	20	10		EDCDRM
CC[C@H](O)[C@@H](C)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360644	593005785	/nfs/dbraw/zinc/00/57/85/593005785.db2.gz	XNTGQONVYDFGEW-SKDRFNHKSA-N	-1	0	329.780	1.866	20	10		EDCDRM
CN(C)C(=O)COC1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000839138265	593268298	/nfs/dbraw/zinc/26/82/98/593268298.db2.gz	OOWRCSHZFNGATJ-UHFFFAOYSA-N	-1	0	333.215	1.988	20	10		EDCDRM
C[C@H](CN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000817114199	593572091	/nfs/dbraw/zinc/57/20/91/593572091.db2.gz	HXVPYNKTSRSRCP-NEPJUHHUSA-N	-1	0	335.404	1.109	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)NCCCC(=O)[O-])CC2)cc1F	ZINC000818593664	593706286	/nfs/dbraw/zinc/70/62/86/593706286.db2.gz	FTPKDQANKMBYGC-UHFFFAOYSA-N	-1	0	339.367	1.531	20	10		EDCDRM
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCCc1nnn[n-]1	ZINC000823662214	593828179	/nfs/dbraw/zinc/82/81/79/593828179.db2.gz	IDGHNOMUHDKVAM-ZDUSSCGKSA-N	-1	0	330.436	1.644	20	10		EDCDRM
CCN(CC)c1ccc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])cc1	ZINC000829687890	594240005	/nfs/dbraw/zinc/24/00/05/594240005.db2.gz	PVBSIUFZILCEQF-LBPRGKRZSA-N	-1	0	328.434	1.673	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)CN2CC[C@H](N(C)C(=O)[O-])C2)cc1	ZINC000828067497	594334019	/nfs/dbraw/zinc/33/40/19/594334019.db2.gz	IZAQYHLVILLWGC-HNNXBMFYSA-N	-1	0	334.420	1.053	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])cc1	ZINC000828067742	594334176	/nfs/dbraw/zinc/33/41/76/594334176.db2.gz	LINXEKCCFDFNTD-UKRRQHHQSA-N	-1	0	334.420	1.988	20	10		EDCDRM
C[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H]1C(=O)[O-]	ZINC000828355372	594399791	/nfs/dbraw/zinc/39/97/91/594399791.db2.gz	WJLBLRMQCDJKLR-UWVGGRQHSA-N	-1	0	329.447	1.987	20	10		EDCDRM
CCC[C@@](C)(O)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000826727138	594564830	/nfs/dbraw/zinc/56/48/30/594564830.db2.gz	BSGLAGRVNUUBEA-WMLDXEAASA-N	-1	0	337.420	1.729	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC2)cc1F	ZINC000829423096	594611055	/nfs/dbraw/zinc/61/10/55/594611055.db2.gz	AEHSBORMLGIKGD-LLVKDONJSA-N	-1	0	339.367	1.529	20	10		EDCDRM
O=C([O-])N(CC(=O)NCc1ccc(N2CCOCC2)cc1)CC1CC1	ZINC000831464811	594635861	/nfs/dbraw/zinc/63/58/61/594635861.db2.gz	YNESUWVCMLYEMX-UHFFFAOYSA-N	-1	0	347.415	1.529	20	10		EDCDRM
O=C([O-])c1cnc(NCc2ccc(N3CCC(CO)CC3)cc2)cn1	ZINC000833338361	594829608	/nfs/dbraw/zinc/82/96/08/594829608.db2.gz	WHJSSLQQNBGRDH-UHFFFAOYSA-N	-1	0	342.399	1.996	20	10		EDCDRM
O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000843879085	595206816	/nfs/dbraw/zinc/20/68/16/595206816.db2.gz	TZGOQFBPSRWDAX-DUMNWFOQSA-N	-1	0	330.344	1.341	20	10		EDCDRM
O=C([O-])c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1F	ZINC000849244353	595497524	/nfs/dbraw/zinc/49/75/24/595497524.db2.gz	ZIOVUWKCZFIEJX-XYOKQWHBSA-N	-1	0	336.344	1.826	20	10		EDCDRM
NC(=O)c1cccc2c1CC[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2	ZINC000853621732	595836153	/nfs/dbraw/zinc/83/61/53/595836153.db2.gz	GSNDCSYHNMHSTR-KRWDZBQOSA-N	-1	0	340.379	1.475	20	10		EDCDRM
O=C([O-])CCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000851651797	595868420	/nfs/dbraw/zinc/86/84/20/595868420.db2.gz	OIVCEKVRASKRGS-UHFFFAOYSA-N	-1	0	335.404	1.312	20	10		EDCDRM
CN(CCc1nnn(C(C)(C)C)n1)c1ccc(OCC(=O)[O-])cc1	ZINC000851705743	595891808	/nfs/dbraw/zinc/89/18/08/595891808.db2.gz	VRGNNDAMCYJZFR-UHFFFAOYSA-N	-1	0	333.392	1.570	20	10		EDCDRM
CCN(CC)C(=O)CN1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000876553530	597237838	/nfs/dbraw/zinc/23/78/38/597237838.db2.gz	RJXZUGMQEOFSBR-UHFFFAOYSA-N	-1	0	341.402	1.656	20	10		EDCDRM
CCS(=O)(=O)NCCN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739516195	602735639	/nfs/dbraw/zinc/73/56/39/602735639.db2.gz	QKODTNGDODOQPB-UHFFFAOYSA-N	-1	0	341.433	1.146	20	10		EDCDRM
C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)N1C(=O)[O-]	ZINC000739167290	602827326	/nfs/dbraw/zinc/82/73/26/602827326.db2.gz	AQKCNXBCQCQAEH-KBPBESRZSA-N	-1	0	348.447	1.441	20	10		EDCDRM
COCCN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000122992263	441870468	/nfs/dbraw/zinc/87/04/68/441870468.db2.gz	CPPILGNHBXFBGV-UHFFFAOYSA-N	-1	0	329.784	1.718	20	10		EDCDRM
O=C([O-])N1CCOC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	ZINC000740451485	579349151	/nfs/dbraw/zinc/34/91/51/579349151.db2.gz	VCVSSXQZHYZSEE-MRXNPFEDSA-N	-1	0	347.415	1.672	20	10		EDCDRM
CCN(CCCNC(=O)NCc1cc(OC)ccc1O)C(=O)[O-]	ZINC000739420937	578282076	/nfs/dbraw/zinc/28/20/76/578282076.db2.gz	YZGYWKWWQATLKN-UHFFFAOYSA-N	-1	0	325.365	1.590	20	10		EDCDRM
C[C@]1(c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)CCCO1	ZINC000763327792	580097761	/nfs/dbraw/zinc/09/77/61/580097761.db2.gz	YLYRSQDNQUGFNT-CQSZACIVSA-N	-1	0	339.373	1.839	20	10		EDCDRM
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1CC(=O)[O-]	ZINC000776745894	580427598	/nfs/dbraw/zinc/42/75/98/580427598.db2.gz	POAFFCNWSZZOLI-UHFFFAOYSA-N	-1	0	337.353	1.829	20	10		EDCDRM
O=C([O-])[C@H]1COCCN1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000780399632	580521426	/nfs/dbraw/zinc/52/14/26/580521426.db2.gz	ZETFOCYCDGSQDE-OAHLLOKOSA-N	-1	0	333.388	1.282	20	10		EDCDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC(=O)c1ccc(O)c(O)c1	ZINC000784975415	580633256	/nfs/dbraw/zinc/63/32/56/580633256.db2.gz	ZVUYQMQMPGNMJS-UHFFFAOYSA-N	-1	0	349.261	1.281	20	10		EDCDRM
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000792701831	580825126	/nfs/dbraw/zinc/82/51/26/580825126.db2.gz	CFXQCEMSIYPUFQ-UHFFFAOYSA-N	-1	0	341.414	1.352	20	10		EDCDRM
CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000840959202	591042182	/nfs/dbraw/zinc/04/21/82/591042182.db2.gz	YLEABKRELHPLIL-VIFPVBQESA-N	-1	0	327.768	1.864	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)[C@]3(C(=O)[O-])C[C@H]3C)CC2)cc1	ZINC000901934443	591868795	/nfs/dbraw/zinc/86/87/95/591868795.db2.gz	MJDVOMMLUCKQJO-XIKOKIGWSA-N	-1	0	332.400	1.891	20	10		EDCDRM
Cc1nn(C)c(N(C)C)c1CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000902017562	591898586	/nfs/dbraw/zinc/89/85/86/591898586.db2.gz	VXDRYTGTQXUNOX-UHFFFAOYSA-N	-1	0	332.404	1.894	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N(CC(=O)[O-])C2CCOCC2)cc1	ZINC000908758677	592601331	/nfs/dbraw/zinc/60/13/31/592601331.db2.gz	PHCXLYWLXXXDSS-UHFFFAOYSA-N	-1	0	335.404	1.528	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](CF)C(=O)[O-])C2)cc1	ZINC000909133341	592737927	/nfs/dbraw/zinc/73/79/27/592737927.db2.gz	DSFJKFSVUWPNNV-FZMZJTMJSA-N	-1	0	339.367	1.243	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)CCOC1CCOCC1	ZINC000911494871	592930771	/nfs/dbraw/zinc/93/07/71/592930771.db2.gz	ZAIRJPMLUBAEPM-UHFFFAOYSA-N	-1	0	337.372	1.391	20	10		EDCDRM
C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])S(C)(=O)=O	ZINC000807834372	593202838	/nfs/dbraw/zinc/20/28/38/593202838.db2.gz	LOHVVJDZNVAKJL-LURJTMIESA-N	-1	0	326.201	1.748	20	10		EDCDRM
COC(=O)[C@H]1CSCCN(C(=O)c2c(F)ccc(O)c2O)C1	ZINC000839936047	593217304	/nfs/dbraw/zinc/21/73/04/593217304.db2.gz	YTVMVMGHKIYKFB-MRVPVSSYSA-N	-1	0	329.349	1.215	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)NCCCCC(=O)[O-])cc1	ZINC000817112178	593571523	/nfs/dbraw/zinc/57/15/23/593571523.db2.gz	APYZKQXFQSJQDI-UHFFFAOYSA-N	-1	0	335.404	1.082	20	10		EDCDRM
C[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1ccc(N(C)C)cc1	ZINC000818658458	593710750	/nfs/dbraw/zinc/71/07/50/593710750.db2.gz	YTYOPGKRWHVQGR-LBPRGKRZSA-N	-1	0	349.431	1.547	20	10		EDCDRM
O=C([O-])CCCNC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000819439880	593754652	/nfs/dbraw/zinc/75/46/52/593754652.db2.gz	VBUDOASFCFDKIM-UHFFFAOYSA-N	-1	0	337.445	1.904	20	10		EDCDRM
COC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000825158065	594138315	/nfs/dbraw/zinc/13/83/15/594138315.db2.gz	COZCDVDKLHIXRB-AWEZNQCLSA-N	-1	0	330.768	1.785	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)C2CCC(=O)CC2)NC(=O)[O-])cc1	ZINC000828057053	594331982	/nfs/dbraw/zinc/33/19/82/594331982.db2.gz	YRTXKFUCNQMJAR-MRXNPFEDSA-N	-1	0	347.415	1.937	20	10		EDCDRM
COC(=O)CN(CC(=O)[O-])Cc1cc(Cl)cc(C(C)=O)c1O	ZINC000831170225	594574057	/nfs/dbraw/zinc/57/40/57/594574057.db2.gz	JRRATWVONQLDAW-UHFFFAOYSA-N	-1	0	329.736	1.308	20	10		EDCDRM
CN(CC(=O)NCc1cccs1)c1ccc(OCC(=O)[O-])cc1	ZINC000833692450	594907987	/nfs/dbraw/zinc/90/79/87/594907987.db2.gz	PIYYQWUGQPVHSD-UHFFFAOYSA-N	-1	0	334.397	1.964	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)c1cncc(C(=O)[O-])n1	ZINC000833695310	594908903	/nfs/dbraw/zinc/90/89/03/594908903.db2.gz	LIGYOOOMCBWQDA-UHFFFAOYSA-N	-1	0	328.372	1.648	20	10		EDCDRM
O=C([O-])[C@H](O)C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000833770644	594925693	/nfs/dbraw/zinc/92/56/93/594925693.db2.gz	KTFLWPUAGBYCQH-CYBMUJFWSA-N	-1	0	344.751	1.611	20	10		EDCDRM
COc1cc(O)c(CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)cc1OC	ZINC000833887203	594958487	/nfs/dbraw/zinc/95/84/87/594958487.db2.gz	CHEIZASSWVOTSJ-ZUZCIYMTSA-N	-1	0	340.376	1.266	20	10		EDCDRM
O=C([O-])N1CC(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000834047746	595000350	/nfs/dbraw/zinc/00/03/50/595000350.db2.gz	FCPQUVLACAAQQK-UHFFFAOYSA-N	-1	0	335.429	1.466	20	10		EDCDRM
O=C([O-])N1CCc2ccccc2[C@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000834049831	595000604	/nfs/dbraw/zinc/00/06/04/595000604.db2.gz	SLDFHAUZUHXELL-INIZCTEOSA-N	-1	0	342.351	1.991	20	10		EDCDRM
CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000843328728	595075084	/nfs/dbraw/zinc/07/50/84/595075084.db2.gz	SXETXCHFTVUSLF-KRWDZBQOSA-N	-1	0	348.443	1.868	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC2)cc1F	ZINC000848585428	595409832	/nfs/dbraw/zinc/40/98/32/595409832.db2.gz	PVGIEVNQAIZOOL-LLVKDONJSA-N	-1	0	339.367	1.387	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)NC[C@H](C)C(=O)[O-])CC2)cc1F	ZINC000848585429	595409977	/nfs/dbraw/zinc/40/99/77/595409977.db2.gz	PVGIEVNQAIZOOL-NSHDSACASA-N	-1	0	339.367	1.387	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)[C@@](C)(OC)C(=O)[O-])CC2)cc1	ZINC000852952194	595626373	/nfs/dbraw/zinc/62/63/73/595626373.db2.gz	UUPOVCDQDHCEOZ-QGZVFWFLSA-N	-1	0	336.388	1.270	20	10		EDCDRM
CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852957608	595629110	/nfs/dbraw/zinc/62/91/10/595629110.db2.gz	YQQWROPRRMHTPV-INIZCTEOSA-N	-1	0	334.416	1.621	20	10		EDCDRM
COCCCn1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])n1	ZINC000872352997	596884092	/nfs/dbraw/zinc/88/40/92/596884092.db2.gz	PROFFCSXFBOYQN-UHFFFAOYSA-N	-1	0	347.343	1.704	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCCO[C@H](C)C2)cc1	ZINC000872967965	597144283	/nfs/dbraw/zinc/14/42/83/597144283.db2.gz	GCNMUYHACPAKLU-CYBMUJFWSA-N	-1	0	336.388	1.224	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCOCC3(CC3)C2)cc1	ZINC000872986665	597151458	/nfs/dbraw/zinc/15/14/58/597151458.db2.gz	YYNSQCKZIXQNOP-UHFFFAOYSA-N	-1	0	348.399	1.225	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1	ZINC000872989709	597151967	/nfs/dbraw/zinc/15/19/67/597151967.db2.gz	SXUNXKDEWCKCJC-BBRMVZONSA-N	-1	0	348.399	1.270	20	10		EDCDRM
O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2	ZINC000392137011	605523347	/nfs/dbraw/zinc/52/33/47/605523347.db2.gz	NVYBXRKKNTYKKE-UHFFFAOYSA-N	-1	0	348.336	1.386	20	10		EDCDRM
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000183440476	701643357	/nfs/dbraw/zinc/64/33/57/701643357.db2.gz	GVZQLRZPBXALGG-JTQLQIEISA-N	-1	0	339.351	1.695	20	10		EDCDRM
CN(C)C(=O)CC[NH+]1CCN(Cc2cccc(Cl)c2[O-])CC1	ZINC000271894270	443517875	/nfs/dbraw/zinc/51/78/75/443517875.db2.gz	XSHJABPAILWYEB-UHFFFAOYSA-N	-1	0	325.840	1.642	20	10		EDCDRM
COCCn1nnc2c1CCN(Cc1cc(Cl)c(F)cc1[O-])C2	ZINC000293710734	444085245	/nfs/dbraw/zinc/08/52/45/444085245.db2.gz	SKTKHUAUUMJWPU-UHFFFAOYSA-N	-1	0	340.786	1.981	20	10		EDCDRM
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CNC(=O)[O-])cc1	ZINC000285736055	444091147	/nfs/dbraw/zinc/09/11/47/444091147.db2.gz	QZPWWRUYEFRWSI-OAHLLOKOSA-N	-1	0	335.404	1.528	20	10		EDCDRM
O=C([O-])N1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000740451260	579349068	/nfs/dbraw/zinc/34/90/68/579349068.db2.gz	QOHHFSKYJANVQG-CQSZACIVSA-N	-1	0	349.456	1.856	20	10		EDCDRM
CC[C@H](NC(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000739521861	579214365	/nfs/dbraw/zinc/21/43/65/579214365.db2.gz	UYGUZJZQJFFCNC-HNNXBMFYSA-N	-1	0	335.404	1.528	20	10		EDCDRM
COC(=O)[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccn(C)n1	ZINC000787439071	580695325	/nfs/dbraw/zinc/69/53/25/580695325.db2.gz	ZTSULGQDMDRHLH-LBPRGKRZSA-N	-1	0	327.743	1.922	20	10		EDCDRM
CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cccc(O)c1O	ZINC000790938324	580781686	/nfs/dbraw/zinc/78/16/86/580781686.db2.gz	SDUODLXVLZGTAT-UHFFFAOYSA-N	-1	0	340.376	1.057	20	10		EDCDRM
O=S1(=O)CCN(Cc2cc(F)cc(F)c2[O-])[C@H]2CCOC[C@H]21	ZINC000894983721	591511629	/nfs/dbraw/zinc/51/16/29/591511629.db2.gz	GSNYCDCUIQQTEE-QWHCGFSZSA-N	-1	0	333.356	1.058	20	10		EDCDRM
O=C([O-])CN1C(=O)/C(=C/c2cnn(CC3CCC3)c2)SC1=S	ZINC000899342461	591786449	/nfs/dbraw/zinc/78/64/49/591786449.db2.gz	XEYIOHFGFDAANC-WCIBSUBMSA-N	-1	0	337.426	1.969	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC000901977082	591875521	/nfs/dbraw/zinc/87/55/21/591875521.db2.gz	QTTYLVNRVOEMPB-HOCLYGCPSA-N	-1	0	334.416	1.947	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)c2cncs2)cc1	ZINC000899851312	591959477	/nfs/dbraw/zinc/95/94/77/591959477.db2.gz	PDQMVYMGFPQHLO-NSHDSACASA-N	-1	0	349.412	1.920	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)C34CC(C(=O)[O-])(C3)C4)C2)cc1	ZINC000909850111	592852744	/nfs/dbraw/zinc/85/27/44/592852744.db2.gz	BFAMTACPDGHKTJ-MDAWKPQNSA-N	-1	0	344.411	1.893	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)c1ccnn1CC(F)F	ZINC000911487622	592929105	/nfs/dbraw/zinc/92/91/05/592929105.db2.gz	DHMXQSGXBGHDON-UHFFFAOYSA-N	-1	0	339.298	1.581	20	10		EDCDRM
C[C@@H]1CCn2cc(C(=O)N(CC(=O)[O-])Cc3ccccc3O)nc2C1	ZINC000911494194	592930723	/nfs/dbraw/zinc/93/07/23/592930723.db2.gz	SSYAMZNMQYSBRS-GFCCVEGCSA-N	-1	0	343.383	1.898	20	10		EDCDRM
O=C([O-])C1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCOCC1	ZINC000911210818	592955976	/nfs/dbraw/zinc/95/59/76/592955976.db2.gz	XKSGKSWIWNXHLN-UHFFFAOYSA-N	-1	0	348.399	1.021	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@@]12CCOC2	ZINC000911359576	593005497	/nfs/dbraw/zinc/00/54/97/593005497.db2.gz	BJJRDGLBXNWTIT-BLLLJJGKSA-N	-1	0	339.775	1.885	20	10		EDCDRM
O=S1(=O)CCN(Cc2c([O-])ccc(Cl)c2F)[C@@H]2CCOC[C@H]21	ZINC000839185293	593272731	/nfs/dbraw/zinc/27/27/31/593272731.db2.gz	AGOOVJSKHHLBOW-DGCLKSJQSA-N	-1	0	349.811	1.573	20	10		EDCDRM
COC(=O)c1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cn1C	ZINC000811689687	593476281	/nfs/dbraw/zinc/47/62/81/593476281.db2.gz	JJBSRJSKQUJCLK-JYRVWZFOSA-N	-1	0	325.324	1.273	20	10		EDCDRM
C[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C(=O)[O-]	ZINC000818330092	593693186	/nfs/dbraw/zinc/69/31/86/593693186.db2.gz	MQVSIGHWLCMBGL-GUYCJALGSA-N	-1	0	333.432	1.554	20	10		EDCDRM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000000251514	594384059	/nfs/dbraw/zinc/38/40/59/594384059.db2.gz	FPMTYLHVJFSZLF-UHFFFAOYSA-N	-1	0	332.341	1.982	20	10		EDCDRM
CN1C(=O)C(=Cc2cccc3c2N(C(=O)[O-])CC3)C(=O)N(C)C1=O	ZINC000828439888	594421163	/nfs/dbraw/zinc/42/11/63/594421163.db2.gz	AUGCRRONBTZYFL-UHFFFAOYSA-N	-1	0	329.312	1.161	20	10		EDCDRM
COc1cccc(CNC(=O)NC[C@H](NC(=O)[O-])C(C)C)c1O	ZINC000829558564	594639760	/nfs/dbraw/zinc/63/97/60/594639760.db2.gz	AIDPBIVTKNYMKD-NSHDSACASA-N	-1	0	325.365	1.492	20	10		EDCDRM
Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H](C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000832853883	594781183	/nfs/dbraw/zinc/78/11/83/594781183.db2.gz	WETMYHHPIHMCSP-VIFPVBQESA-N	-1	0	339.304	1.605	20	10		EDCDRM
O=C([O-])N1CCSC[C@@H]1CC(=O)NCc1ccc(O)c(O)c1	ZINC000833987180	594982283	/nfs/dbraw/zinc/98/22/83/594982283.db2.gz	HRXCGNKWDXJSGE-JTQLQIEISA-N	-1	0	326.374	1.200	20	10		EDCDRM
O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000834049764	595000752	/nfs/dbraw/zinc/00/07/52/595000752.db2.gz	QZVNABVZPDIYPL-CQSZACIVSA-N	-1	0	342.351	1.819	20	10		EDCDRM
C[C@@H]1CN(c2ccc(CNC(=O)CCC(=O)[O-])cc2F)C[C@@H](C)O1	ZINC000842571907	595130165	/nfs/dbraw/zinc/13/01/65/595130165.db2.gz	ZHVMQKFGSOBPOH-VXGBXAGGSA-N	-1	0	338.379	1.920	20	10		EDCDRM
O=C([O-])Cn1cc(CN2CCCc3cc(OC(F)F)ccc32)nn1	ZINC000846240922	595184005	/nfs/dbraw/zinc/18/40/05/595184005.db2.gz	OYGJRBYBGIADRN-UHFFFAOYSA-N	-1	0	338.314	1.917	20	10		EDCDRM
Cc1cc([C@@H]2CCCN2Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)on1	ZINC000846242583	595184363	/nfs/dbraw/zinc/18/43/63/595184363.db2.gz	UBDMOTFWERFIPV-LBPRGKRZSA-N	-1	0	343.343	1.767	20	10		EDCDRM
O=C(NCc1ccc(N2CCCCC2)cc1)c1n[nH]c(=O)[n-]c1=O	ZINC000848226768	595342460	/nfs/dbraw/zinc/34/24/60/595342460.db2.gz	WFRDOWMXHJPSNR-UHFFFAOYSA-N	-1	0	329.360	1.203	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC000852951821	595626309	/nfs/dbraw/zinc/62/63/09/595626309.db2.gz	ZRLLKYQHQDQDAW-LJQANCHMSA-N	-1	0	346.427	1.983	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCCc2ccco2)cc1	ZINC000853009990	595640805	/nfs/dbraw/zinc/64/08/05/595640805.db2.gz	UQKBTKHUMONDGW-UHFFFAOYSA-N	-1	0	346.383	1.928	20	10		EDCDRM
C[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(=O)[O-]	ZINC000851650581	595868015	/nfs/dbraw/zinc/86/80/15/595868015.db2.gz	FQXLZPAFLDRASR-GFCCVEGCSA-N	-1	0	335.404	1.168	20	10		EDCDRM
O=S(=O)(C[C@@H]1CCCCO1)[N-]N=c1[nH]c2cccnc2s1	ZINC000857225016	596190981	/nfs/dbraw/zinc/19/09/81/596190981.db2.gz	DDIQKJROVNPGSL-VIFPVBQESA-N	-1	0	328.419	1.507	20	10		EDCDRM
C[C@@H](NS(=O)(=O)c1ncc[n-]1)c1ccc(N2CCOCC2)cc1	ZINC000866606039	596267144	/nfs/dbraw/zinc/26/71/44/596267144.db2.gz	RGSITWHHDOWQKF-GFCCVEGCSA-N	-1	0	336.417	1.286	20	10		EDCDRM
CN(Cc1cn(C[C@H]2CCOC2)nn1)c1ccc(OCC(=O)[O-])cc1	ZINC000872161034	596817082	/nfs/dbraw/zinc/81/70/82/596817082.db2.gz	QVBVIFSMOMBUNJ-CYBMUJFWSA-N	-1	0	346.387	1.414	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)cc1	ZINC000872880619	597109232	/nfs/dbraw/zinc/10/92/32/597109232.db2.gz	GTSPUDMIIVBWFJ-MELADBBJSA-N	-1	0	332.400	1.891	20	10		EDCDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cn(C)nc1CC	ZINC000882718220	598032648	/nfs/dbraw/zinc/03/26/48/598032648.db2.gz	YRQWULIWUMDFMU-UHFFFAOYSA-N	-1	0	325.390	1.888	20	10		EDCDRM
O=C([O-])N1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	ZINC000738645431	602837885	/nfs/dbraw/zinc/83/78/85/602837885.db2.gz	XYSACKXNQGZYEI-UHFFFAOYSA-N	-1	0	344.415	1.958	20	10		EDCDRM
O=C([O-])C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1	ZINC000364023925	445891707	/nfs/dbraw/zinc/89/17/07/445891707.db2.gz	VPWQUWPSJJAWDT-UHFFFAOYSA-N	-1	0	332.278	1.755	20	10		EDCDRM
CS(=O)(=O)N1CCc2c1cccc2NC(=O)c1cccc(O)c1O	ZINC000365553958	446252218	/nfs/dbraw/zinc/25/22/18/446252218.db2.gz	IKINTEBJPQVOMP-UHFFFAOYSA-N	-1	0	348.380	1.672	20	10		EDCDRM
CN1N=C(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCC1=O	ZINC000377090014	446913177	/nfs/dbraw/zinc/91/31/77/446913177.db2.gz	PPAXODBGOYMESH-UHFFFAOYSA-N	-1	0	330.171	1.923	20	10		EDCDRM
O=C([O-])NCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000740659223	579375582	/nfs/dbraw/zinc/37/55/82/579375582.db2.gz	HTLWDPNEFXVMCA-CYBMUJFWSA-N	-1	0	337.376	1.350	20	10		EDCDRM
COCCN(CC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-]	ZINC000739818364	578344181	/nfs/dbraw/zinc/34/41/81/578344181.db2.gz	KXQAIOXMRQNPGD-UHFFFAOYSA-N	-1	0	327.356	1.134	20	10		EDCDRM
NS(=O)(=O)C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000769428711	580236817	/nfs/dbraw/zinc/23/68/17/580236817.db2.gz	RRJNNPQGVFLYGK-SNVBAGLBSA-N	-1	0	339.244	1.952	20	10		EDCDRM
CC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000780477497	580523967	/nfs/dbraw/zinc/52/39/67/580523967.db2.gz	AQRFXSPJRQESQR-DOMZBBRYSA-N	-1	0	335.404	1.747	20	10		EDCDRM
C[C@@H](NC(=O)N(CC(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000780477874	580523982	/nfs/dbraw/zinc/52/39/82/580523982.db2.gz	GFQPOYFTCCNQSA-CYBMUJFWSA-N	-1	0	347.415	1.843	20	10		EDCDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c(OC)c1	ZINC000785477969	580645326	/nfs/dbraw/zinc/64/53/26/580645326.db2.gz	CYAAPSUHGNLJSE-UHFFFAOYSA-N	-1	0	337.353	1.988	20	10		EDCDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000797715211	580979492	/nfs/dbraw/zinc/97/94/92/580979492.db2.gz	KKUINXVUVVFXTG-CQSZACIVSA-N	-1	0	341.383	1.523	20	10		EDCDRM
O=[N+]([O-])c1cc(NS(=O)(=O)CCOCC(F)(F)F)ccc1[O-]	ZINC000811695657	590683879	/nfs/dbraw/zinc/68/38/79/590683879.db2.gz	BWZJOQCTWFIORE-UHFFFAOYSA-N	-1	0	344.267	1.621	20	10		EDCDRM
O=S1(=O)CCN(Cc2cc(F)cc(F)c2[O-])[C@H]2CCOC[C@@H]21	ZINC000894983722	591511759	/nfs/dbraw/zinc/51/17/59/591511759.db2.gz	GSNYCDCUIQQTEE-STQMWFEESA-N	-1	0	333.356	1.058	20	10		EDCDRM
O=C(NCC1(C2(O)CCOCC2)CC1)c1c(F)ccc(O)c1O	ZINC000900670176	592089952	/nfs/dbraw/zinc/08/99/52/592089952.db2.gz	VLPJGBRGCMKMGG-UHFFFAOYSA-N	-1	0	325.336	1.288	20	10		EDCDRM
CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000909132007	592737653	/nfs/dbraw/zinc/73/76/53/592737653.db2.gz	NIJVVDXPDGPMCR-ZDUSSCGKSA-N	-1	0	335.404	1.638	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](CF)C(=O)[O-])C2)cc1	ZINC000909133342	592737912	/nfs/dbraw/zinc/73/79/12/592737912.db2.gz	DSFJKFSVUWPNNV-RISCZKNCSA-N	-1	0	339.367	1.243	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1CCc2cncn2C1	ZINC000911487168	592928855	/nfs/dbraw/zinc/92/88/55/592928855.db2.gz	BQJMWZVDTUKMHC-ZDUSSCGKSA-N	-1	0	329.356	1.265	20	10		EDCDRM
CCO[C@H](C(=O)N(CC(=O)[O-])Cc1ccccc1O)[C@@H]1CCOC1	ZINC000911492588	592930009	/nfs/dbraw/zinc/93/00/09/592930009.db2.gz	IGCKHNJULICKIE-CJNGLKHVSA-N	-1	0	337.372	1.247	20	10		EDCDRM
O=C(CCn1cnccc1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000816682390	593540067	/nfs/dbraw/zinc/54/00/67/593540067.db2.gz	WTSXMLDISDVLNU-UHFFFAOYSA-N	-1	0	342.182	1.962	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)CSCC(=O)[O-])C2)cc1	ZINC000818324232	593692732	/nfs/dbraw/zinc/69/27/32/593692732.db2.gz	UXOWRTLKFZMLMK-LBPRGKRZSA-N	-1	0	338.429	1.456	20	10		EDCDRM
CCN(CC)c1ccc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])cc1F	ZINC000829688254	594240409	/nfs/dbraw/zinc/24/04/09/594240409.db2.gz	YHOKSJJIXZGVAI-NSHDSACASA-N	-1	0	346.424	1.812	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCCO2)NC(=O)[O-])cc1	ZINC000828055109	594331564	/nfs/dbraw/zinc/33/15/64/594331564.db2.gz	DECVZKYBGIZQQM-RHSMWYFYSA-N	-1	0	335.404	1.747	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccncc2)NC(=O)[O-])cc1	ZINC000828063589	594333085	/nfs/dbraw/zinc/33/30/85/594333085.db2.gz	HIVFCMSNFWAUKU-OAHLLOKOSA-N	-1	0	328.372	1.886	20	10		EDCDRM
Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)ccc1O	ZINC000826271286	594405750	/nfs/dbraw/zinc/40/57/50/594405750.db2.gz	LMVDLNIDFUCDGG-UHFFFAOYSA-N	-1	0	332.345	1.077	20	10		EDCDRM
COC(=O)/C=C\c1ccc(N2CCN(C(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000828646313	594471666	/nfs/dbraw/zinc/47/16/66/594471666.db2.gz	HKEQJMVELHXVMX-VLWUPBBWSA-N	-1	0	349.343	1.970	20	10		EDCDRM
O=C([O-])COc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1	ZINC000833257526	594815110	/nfs/dbraw/zinc/81/51/10/594815110.db2.gz	PFBWVBKHFMRZTO-UHFFFAOYSA-N	-1	0	346.339	1.925	20	10		EDCDRM
CC(C)[C@H]1C(=O)NCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833470730	594854022	/nfs/dbraw/zinc/85/40/22/594854022.db2.gz	LEIFNEGVCNOJNQ-DRDHIDPGSA-N	-1	0	333.344	1.653	20	10		EDCDRM
COCC[C@H]1CCCC[N@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1	ZINC000846259670	595188983	/nfs/dbraw/zinc/18/89/83/595188983.db2.gz	SSJLXOYDPZYXCW-GFCCVEGCSA-N	-1	0	348.403	1.772	20	10		EDCDRM
COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)c1	ZINC000848558657	595405425	/nfs/dbraw/zinc/40/54/25/595405425.db2.gz	SFVFJQAPEDYKSW-YGRLFVJLSA-N	-1	0	346.387	1.999	20	10		EDCDRM
CO[C@](C)(C(=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852950513	595624890	/nfs/dbraw/zinc/62/48/90/595624890.db2.gz	IRVBEAPIQVAGKK-PXAZEXFGSA-N	-1	0	336.388	1.190	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(C(=O)[O-])CCC1	ZINC000852950873	595625565	/nfs/dbraw/zinc/62/55/65/595625565.db2.gz	SIPPRHNIQATGQX-UHFFFAOYSA-N	-1	0	332.400	1.737	20	10		EDCDRM
CO[C@H](CS(=O)(=O)[N-]N=c1[nH]c2ccncc2s1)C(C)C	ZINC000872385291	596896462	/nfs/dbraw/zinc/89/64/62/596896462.db2.gz	VLLBWDOTRRGAOD-SNVBAGLBSA-N	-1	0	330.435	1.609	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)CCCc3nnn[n-]3)CC2)cc1	ZINC000874110269	596932499	/nfs/dbraw/zinc/93/24/99/596932499.db2.gz	GAOQLPDCXCRWJX-UHFFFAOYSA-N	-1	0	344.419	1.270	20	10		EDCDRM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCOCC(=O)[O-]	ZINC000874409264	597064986	/nfs/dbraw/zinc/06/49/86/597064986.db2.gz	YDUGRQFRTBVRMZ-UHFFFAOYSA-N	-1	0	349.431	1.920	20	10		EDCDRM
O=C(NCc1cccc(Br)c1O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000874428755	597074352	/nfs/dbraw/zinc/07/43/52/597074352.db2.gz	OSYDTNMHAOYYEX-KYZUINATSA-N	-1	0	343.177	1.817	20	10		EDCDRM
Cc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O	ZINC000226859898	242117397	/nfs/dbraw/zinc/11/73/97/242117397.db2.gz	TVPNKGADVBOUED-UHFFFAOYSA-N	-1	0	332.337	1.385	20	10		EDCDRM
CS(=O)(=O)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000179784643	442503286	/nfs/dbraw/zinc/50/32/86/442503286.db2.gz	ANVJWLPVONPMMT-UHFFFAOYSA-N	-1	0	349.796	1.031	20	10		EDCDRM
CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1c(F)ccc(O)c1O	ZINC000294792692	444143711	/nfs/dbraw/zinc/14/37/11/444143711.db2.gz	AYWWCSWUFVDMCV-NSHDSACASA-N	-1	0	345.367	1.111	20	10		EDCDRM
O=C1CO[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2N1	ZINC000370706206	446395837	/nfs/dbraw/zinc/39/58/37/446395837.db2.gz	AZIFFARTPJRUNY-RYUDHWBXSA-N	-1	0	331.199	1.788	20	10		EDCDRM
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000368309025	446777309	/nfs/dbraw/zinc/77/73/09/446777309.db2.gz	XNULPLQYJROPON-ZYHUDNBSSA-N	-1	0	347.198	1.297	20	10		EDCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2Cc1nnnn1C1CC1	ZINC000740674240	579376872	/nfs/dbraw/zinc/37/68/72/579376872.db2.gz	OJFBNWRUJCIQCU-UHFFFAOYSA-N	-1	0	328.376	1.728	20	10		EDCDRM
CN1CCCc2cc(CNS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc21	ZINC000761286937	580053989	/nfs/dbraw/zinc/05/39/89/580053989.db2.gz	VKDVYMVXYLFDKH-UHFFFAOYSA-N	-1	0	349.412	1.574	20	10		EDCDRM
O=[N+]([O-])c1cc(Cl)cc(CNCc2nnc3n2CCOC3)c1[O-]	ZINC000791007578	580782812	/nfs/dbraw/zinc/78/28/12/580782812.db2.gz	JWICPXOROOOUOF-UHFFFAOYSA-N	-1	0	339.739	1.365	20	10		EDCDRM
C[C@@H](NC(=O)N[C@@H](C(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000797714910	580979504	/nfs/dbraw/zinc/97/95/04/580979504.db2.gz	NJGDXNOOICPRKO-MLGOLLRUSA-N	-1	0	347.415	1.747	20	10		EDCDRM
[O-]c1c(F)cc(Br)cc1CN1C[C@@H]2COC[C@H](C1)O2	ZINC000894679577	591385937	/nfs/dbraw/zinc/38/59/37/591385937.db2.gz	TWWYPOYFTWDLLA-PHIMTYICSA-N	-1	0	332.169	1.893	20	10		EDCDRM
COC(=O)[C@@](C)(Cn1cccn1)NCc1cc(F)cc(F)c1[O-]	ZINC000898343596	591878592	/nfs/dbraw/zinc/87/85/92/591878592.db2.gz	YHTDBGVBKYGQIZ-OAHLLOKOSA-N	-1	0	325.315	1.588	20	10		EDCDRM
O=C([O-])[C@H]1COCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000901985856	591885025	/nfs/dbraw/zinc/88/50/25/591885025.db2.gz	SPKOXJQDIZUPHW-MRXNPFEDSA-N	-1	0	349.387	1.871	20	10		EDCDRM
Cc1c(CCC(=O)N(CC(=O)[O-])Cc2ccccc2O)cnn1C	ZINC000911490098	592929550	/nfs/dbraw/zinc/92/95/50/592929550.db2.gz	XUODZKABGWNOLR-UHFFFAOYSA-N	-1	0	331.372	1.480	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC2)cc1F	ZINC000911579021	592953390	/nfs/dbraw/zinc/95/33/90/592953390.db2.gz	BRQFEHKVOPQRAX-GFCCVEGCSA-N	-1	0	338.379	1.984	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000817890442	593645769	/nfs/dbraw/zinc/64/57/69/593645769.db2.gz	UANHNIHVEOLQSO-AWEZNQCLSA-N	-1	0	347.415	1.034	20	10		EDCDRM
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000817897300	593646844	/nfs/dbraw/zinc/64/68/44/593646844.db2.gz	JURCLYUQHPYNJQ-ZDUSSCGKSA-N	-1	0	334.372	1.064	20	10		EDCDRM
O=C([O-])CCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000819439838	593754504	/nfs/dbraw/zinc/75/45/04/593754504.db2.gz	HDWVDPYYJKJRJH-UHFFFAOYSA-N	-1	0	349.431	1.559	20	10		EDCDRM
C[C@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1)n1cccn1	ZINC000823687013	593834502	/nfs/dbraw/zinc/83/45/02/593834502.db2.gz	VGFKEKUHUSJARY-IUODEOHRSA-N	-1	0	345.403	1.635	20	10		EDCDRM
C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)NC(=O)[O-]	ZINC000824565642	594039720	/nfs/dbraw/zinc/03/97/20/594039720.db2.gz	OXUOSOVSMXWLOH-GXTWGEPZSA-N	-1	0	336.388	1.946	20	10		EDCDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000824846325	594083590	/nfs/dbraw/zinc/08/35/90/594083590.db2.gz	BZJYCJUVPVBQEK-KBPBESRZSA-N	-1	0	349.431	1.946	20	10		EDCDRM
CN(Cc1ccccc1O)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825981082	594296629	/nfs/dbraw/zinc/29/66/29/594296629.db2.gz	OIKZJGJFAVYQSD-OAHLLOKOSA-N	-1	0	339.355	1.264	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cccnc2)NC(=O)[O-])cc1	ZINC000828064700	594333666	/nfs/dbraw/zinc/33/36/66/594333666.db2.gz	WIIVQOSJUAZIHU-OAHLLOKOSA-N	-1	0	328.372	1.886	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cccn2C)NC(=O)[O-])cc1	ZINC000828064346	594333722	/nfs/dbraw/zinc/33/37/22/594333722.db2.gz	PRCDOECWEPUFQY-CQSZACIVSA-N	-1	0	330.388	1.830	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000828074039	594335712	/nfs/dbraw/zinc/33/57/12/594335712.db2.gz	SWPPKWWAIMPDAB-MRXNPFEDSA-N	-1	0	337.351	1.570	20	10		EDCDRM
CN(C)c1ccc(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)cc1	ZINC000830639900	594445023	/nfs/dbraw/zinc/44/50/23/594445023.db2.gz	SZABUDOGPPRDOT-UHFFFAOYSA-N	-1	0	326.418	1.427	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(C(=O)[O-])c1	ZINC000830643172	594445804	/nfs/dbraw/zinc/44/58/04/594445804.db2.gz	FBENHGNYUNBJHS-UHFFFAOYSA-N	-1	0	327.340	1.885	20	10		EDCDRM
O=C([O-])CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	ZINC000840991867	594836233	/nfs/dbraw/zinc/83/62/33/594836233.db2.gz	RIBFENNEENQUMG-UHFFFAOYSA-N	-1	0	343.330	1.075	20	10		EDCDRM
O=C([O-])N1CC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000834050687	595000993	/nfs/dbraw/zinc/00/09/93/595000993.db2.gz	ZUEMNHYQBDWVHK-HNNXBMFYSA-N	-1	0	344.415	1.862	20	10		EDCDRM
Cc1cnc(CC[N@@H+](C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)s1	ZINC000846259303	595188824	/nfs/dbraw/zinc/18/88/24/595188824.db2.gz	WZFDNJALYPADQP-UHFFFAOYSA-N	-1	0	347.400	1.573	20	10		EDCDRM
CC(C)O[C@@]1(CS(=O)(=O)Nc2ccc(O)cc2F)CCOC1	ZINC000872361615	596895347	/nfs/dbraw/zinc/89/53/47/596895347.db2.gz	JUNWQVATJPSULB-AWEZNQCLSA-N	-1	0	333.381	1.857	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCOCC23CCC3)cc1	ZINC000872960622	597140702	/nfs/dbraw/zinc/14/07/02/597140702.db2.gz	NWAHGOCYMOXHJU-UHFFFAOYSA-N	-1	0	348.399	1.368	20	10		EDCDRM
C[C@]12CN(Cc3ccc(F)c(F)c3[O-])C[C@@]1(C)CS(=O)(=O)C2	ZINC000877813597	597559677	/nfs/dbraw/zinc/55/96/77/597559677.db2.gz	MVYFDLDOSOAZIR-GASCZTMLSA-N	-1	0	331.384	1.927	20	10		EDCDRM
O=C([O-])CCCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000325419211	703173065	/nfs/dbraw/zinc/17/30/65/703173065.db2.gz	WKEQRKDSNSDTOZ-UHFFFAOYSA-N	-1	0	338.379	1.924	20	10		EDCDRM
CCN(CCNC(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)[O-]	ZINC000739431007	579204992	/nfs/dbraw/zinc/20/49/92/579204992.db2.gz	MLMVNIJGTCNYSE-UHFFFAOYSA-N	-1	0	332.404	1.862	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)NC[C@H]2CCCCN2C(=O)[O-])c1	ZINC000739930033	579269282	/nfs/dbraw/zinc/26/92/82/579269282.db2.gz	IMIVMWPTMVGVAD-GFCCVEGCSA-N	-1	0	337.376	1.733	20	10		EDCDRM
Cc1cc(C(=O)N2CC[C@H](NC(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000740053271	579284632	/nfs/dbraw/zinc/28/46/32/579284632.db2.gz	HWGXCTFEKBBRPE-ZDUSSCGKSA-N	-1	0	328.372	1.971	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)cc1F	ZINC000749258300	579719586	/nfs/dbraw/zinc/71/95/86/579719586.db2.gz	PLRANLVSMLBQBL-UHFFFAOYSA-N	-1	0	334.351	1.534	20	10		EDCDRM
CS(=O)(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000769484493	580238293	/nfs/dbraw/zinc/23/82/93/580238293.db2.gz	KGPCWNUINLLARI-UHFFFAOYSA-N	-1	0	348.808	1.963	20	10		EDCDRM
Cc1cc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)c(C)n1-c1ccccn1	ZINC000909698509	592809037	/nfs/dbraw/zinc/80/90/37/592809037.db2.gz	LBYOHPGVYJHNRI-SFHVURJKSA-N	-1	0	343.383	1.853	20	10		EDCDRM
Cc1nc(NCc2ccc(N3CCOCC3)cc2)ncc1C(=O)[O-]	ZINC000910287252	592822175	/nfs/dbraw/zinc/82/21/75/592822175.db2.gz	IKNAOESHFZAHHZ-UHFFFAOYSA-N	-1	0	328.372	1.932	20	10		EDCDRM
CC(C)c1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)nn1C	ZINC000911487480	592929128	/nfs/dbraw/zinc/92/91/28/592929128.db2.gz	VYAJXIRQIKWBJV-UHFFFAOYSA-N	-1	0	331.372	1.976	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1CCn2cncc2C1	ZINC000911489648	592929356	/nfs/dbraw/zinc/92/93/56/592929356.db2.gz	VHFGNQNALNYUGK-LBPRGKRZSA-N	-1	0	329.356	1.265	20	10		EDCDRM
C[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C(=O)[O-]	ZINC000818331685	593693380	/nfs/dbraw/zinc/69/33/80/593693380.db2.gz	XMVZAJFRRXQFPB-RDTXWAMCSA-N	-1	0	347.459	1.896	20	10		EDCDRM
CCC(CC)(CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000818658727	593710742	/nfs/dbraw/zinc/71/07/42/593710742.db2.gz	ZOWPYYVWTKMYPT-UHFFFAOYSA-N	-1	0	349.431	1.376	20	10		EDCDRM
C[C@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)NC(=O)[O-]	ZINC000824665884	594052780	/nfs/dbraw/zinc/05/27/80/594052780.db2.gz	XGZNHNOSNQLFLT-CYBMUJFWSA-N	-1	0	349.431	1.558	20	10		EDCDRM
C[C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)NC(=O)[O-]	ZINC000824664362	594052860	/nfs/dbraw/zinc/05/28/60/594052860.db2.gz	KCWXZTRQSAZIEQ-GFCCVEGCSA-N	-1	0	337.445	1.902	20	10		EDCDRM
CC(=O)N1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1	ZINC000825846667	594261271	/nfs/dbraw/zinc/26/12/71/594261271.db2.gz	BFJXVCUTSGIHMX-DUMNWFOQSA-N	-1	0	333.344	1.750	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)C2=COCCO2)NC(=O)[O-])cc1	ZINC000828055114	594331588	/nfs/dbraw/zinc/33/15/88/594331588.db2.gz	DGVYVCKKYDCFGW-ZDUSSCGKSA-N	-1	0	335.360	1.066	20	10		EDCDRM
COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)N1CCC[C@H]1C	ZINC000830156473	594346662	/nfs/dbraw/zinc/34/66/62/594346662.db2.gz	UCVVSLMDBYMTMS-MRVPVSSYSA-N	-1	0	332.353	1.459	20	10		EDCDRM
CN(CC(=O)NCc1cccnc1)c1ccc(OCC(=O)[O-])cc1	ZINC000833691675	594907588	/nfs/dbraw/zinc/90/75/88/594907588.db2.gz	FYLRYZDWYHWFGZ-UHFFFAOYSA-N	-1	0	329.356	1.298	20	10		EDCDRM
O=C([O-])[C@@H](O)C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000833770645	594925738	/nfs/dbraw/zinc/92/57/38/594925738.db2.gz	KTFLWPUAGBYCQH-ZDUSSCGKSA-N	-1	0	344.751	1.611	20	10		EDCDRM
COCC1(O)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000844210429	595302944	/nfs/dbraw/zinc/30/29/44/595302944.db2.gz	WSWIPSDQWSLESK-HYXAFXHYSA-N	-1	0	336.344	1.670	20	10		EDCDRM
COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O	ZINC000876136243	597107221	/nfs/dbraw/zinc/10/72/21/597107221.db2.gz	YOQRPMUZBVKPPX-NOZJJQNGSA-N	-1	0	342.779	1.423	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)c2cccnc2)cc1	ZINC000872955943	597139504	/nfs/dbraw/zinc/13/95/04/597139504.db2.gz	FNLXCGXFRLTKQQ-CYBMUJFWSA-N	-1	0	343.383	1.859	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CCCC[C@H]2F)cc1	ZINC000872986882	597151767	/nfs/dbraw/zinc/15/17/67/597151767.db2.gz	UVQBOIKYTDUSPP-HUUCEWRRSA-N	-1	0	338.379	1.983	20	10		EDCDRM
O=C([C@H]1CCCCN1Cc1ccc(F)c(F)c1[O-])N1CCOCC1	ZINC000876684899	597287851	/nfs/dbraw/zinc/28/78/51/597287851.db2.gz	VEQOBKYFWVFIFQ-CQSZACIVSA-N	-1	0	340.370	1.884	20	10		EDCDRM
O=S1(=O)CCN(Cc2ccc(F)c(F)c2[O-])[C@H]2CCOC[C@H]21	ZINC000877585047	597538763	/nfs/dbraw/zinc/53/87/63/597538763.db2.gz	OLZXZHDXBKLRND-NWDGAFQWSA-N	-1	0	333.356	1.058	20	10		EDCDRM
[O-]c1c(CN2CCN(CCc3cnccn3)CC2)ccc(F)c1F	ZINC000877703776	597548878	/nfs/dbraw/zinc/54/88/78/597548878.db2.gz	UGXTUHCXBNSNQD-UHFFFAOYSA-N	-1	0	334.370	1.821	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)CC[C@@H]2C)c1O	ZINC000192093412	442590401	/nfs/dbraw/zinc/59/04/01/442590401.db2.gz	JHORMXOAAJXTCL-JTQLQIEISA-N	-1	0	329.393	1.743	20	10		EDCDRM
Cc1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c(C)n1-c1ccccn1	ZINC000183404433	442927536	/nfs/dbraw/zinc/92/75/36/442927536.db2.gz	APFLJWRRWUWJKC-NSHDSACASA-N	-1	0	339.403	1.878	20	10		EDCDRM
O=C1N[C@@H](c2cc(Br)ccc2O)N2CCSC[C@H]12	ZINC000270829292	443482443	/nfs/dbraw/zinc/48/24/43/443482443.db2.gz	UATGSNYIFAGMOC-MWLCHTKSSA-N	-1	0	329.219	1.701	20	10		EDCDRM
C[C@H]1OCCN2[C@H](c3cc(Cl)cc([N+](=O)[O-])c3[O-])NC(=O)[C@H]12	ZINC000285306898	443935153	/nfs/dbraw/zinc/93/51/53/443935153.db2.gz	YRHHKCYCQOZRAW-MDSUWVFBSA-N	-1	0	327.724	1.172	20	10		EDCDRM
CCO[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C12CCOCC2	ZINC000294883888	444153819	/nfs/dbraw/zinc/15/38/19/444153819.db2.gz	CFXCTQBYJJMCFX-STQMWFEESA-N	-1	0	339.363	1.941	20	10		EDCDRM
Nc1cc2c(nn1)CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2	ZINC000371374930	446814398	/nfs/dbraw/zinc/81/43/98/446814398.db2.gz	SJJBGFRWENQRDS-UHFFFAOYSA-N	-1	0	335.751	1.884	20	10		EDCDRM
Cc1cc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000740053270	579284606	/nfs/dbraw/zinc/28/46/06/579284606.db2.gz	HWGXCTFEKBBRPE-CYBMUJFWSA-N	-1	0	328.372	1.971	20	10		EDCDRM
O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)COC3)ccc1O	ZINC000757658274	579969640	/nfs/dbraw/zinc/96/96/40/579969640.db2.gz	YJRNEKONPDMIHZ-UHFFFAOYSA-N	-1	0	335.337	1.921	20	10		EDCDRM
CS(=O)(=O)N1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775647802	580396200	/nfs/dbraw/zinc/39/62/00/580396200.db2.gz	AILNCPHOHHKYDJ-UHFFFAOYSA-N	-1	0	336.816	1.652	20	10		EDCDRM
CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000775697023	580397548	/nfs/dbraw/zinc/39/75/48/580397548.db2.gz	SJJAZPZKMMNPHG-LLVKDONJSA-N	-1	0	336.816	1.698	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC000795349258	580919684	/nfs/dbraw/zinc/91/96/84/580919684.db2.gz	XWAFHWUGIRESDA-UHFFFAOYSA-N	-1	0	338.341	1.383	20	10		EDCDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000901961533	591880097	/nfs/dbraw/zinc/88/00/97/591880097.db2.gz	QVRAKDGVRGLDQB-DIFFPNOSSA-N	-1	0	336.363	1.389	20	10		EDCDRM
CO[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@](C)(C(=O)[O-])C1	ZINC000908758482	592600900	/nfs/dbraw/zinc/60/09/00/592600900.db2.gz	LWVGBSOOAHMKEC-WMLDXEAASA-N	-1	0	335.404	1.526	20	10		EDCDRM
O=C([O-])[C@H]1CSCCN1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000908846637	592640587	/nfs/dbraw/zinc/64/05/87/592640587.db2.gz	BJZYXHPPXBMVDP-OAHLLOKOSA-N	-1	0	349.456	1.998	20	10		EDCDRM
Cc1cc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1	ZINC000910534615	592872825	/nfs/dbraw/zinc/87/28/25/592872825.db2.gz	YJRVKDHDJXGVLP-GOSISDBHSA-N	-1	0	346.358	1.895	20	10		EDCDRM
Cn1nc2c(c1C(=O)N(CC(=O)[O-])Cc1ccccc1O)CCC2	ZINC000911489203	592929369	/nfs/dbraw/zinc/92/93/69/592929369.db2.gz	QZQRUKIHBNIWQC-UHFFFAOYSA-N	-1	0	329.356	1.341	20	10		EDCDRM
C[C@@H](C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)n1cccn1	ZINC000911355287	593003530	/nfs/dbraw/zinc/00/35/30/593003530.db2.gz	VWMQANBRSYPLFL-JTQLQIEISA-N	-1	0	337.763	1.917	20	10		EDCDRM
C[C@@H]1CO[C@H](C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1	ZINC000911360831	593006240	/nfs/dbraw/zinc/00/62/40/593006240.db2.gz	YSIMWBZOCHVNTQ-ZANVPECISA-N	-1	0	327.764	1.884	20	10		EDCDRM
C[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000818029253	593659194	/nfs/dbraw/zinc/65/91/94/593659194.db2.gz	VGXSPEOCDDWISC-HIFRSBDPSA-N	-1	0	347.415	1.700	20	10		EDCDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)CCOCC1CC1	ZINC000818055209	593661937	/nfs/dbraw/zinc/66/19/37/593661937.db2.gz	VDIWQANXZMAFLP-UHFFFAOYSA-N	-1	0	347.364	1.486	20	10		EDCDRM
C[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C(=O)[O-]	ZINC000818330090	593693231	/nfs/dbraw/zinc/69/32/31/593693231.db2.gz	MQVSIGHWLCMBGL-CXAGYDPISA-N	-1	0	333.432	1.554	20	10		EDCDRM
CC(C)C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000818658571	593710835	/nfs/dbraw/zinc/71/08/35/593710835.db2.gz	VHGCLJAYVDPOCC-AWEZNQCLSA-N	-1	0	349.431	1.232	20	10		EDCDRM
O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCc1ccc(O)c(O)c1	ZINC000823625437	594222625	/nfs/dbraw/zinc/22/26/25/594222625.db2.gz	VEOXRLWSSPWISK-UHFFFAOYSA-N	-1	0	343.303	1.236	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)cc1F	ZINC000828067103	594334081	/nfs/dbraw/zinc/33/40/81/594334081.db2.gz	FDQPNILCHRAMIG-LBPRGKRZSA-N	-1	0	338.383	1.785	20	10		EDCDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cccc(O)c2O)C1	ZINC000830808122	594483639	/nfs/dbraw/zinc/48/36/39/594483639.db2.gz	WBEWTCDLQFVXOJ-CYBMUJFWSA-N	-1	0	332.278	1.381	20	10		EDCDRM
Cc1ccc(C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c(O)c1O	ZINC000830816502	594486031	/nfs/dbraw/zinc/48/60/31/594486031.db2.gz	QIDVHMFSQDWUDE-CQSZACIVSA-N	-1	0	346.305	1.689	20	10		EDCDRM
O=S(=O)([N-]c1ccc(O)cc1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000826493084	594499926	/nfs/dbraw/zinc/49/99/26/594499926.db2.gz	SDYDPUPESOIPJD-UHFFFAOYSA-N	-1	0	335.320	1.512	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CSCN2C(=O)[O-])c1	ZINC000829484332	594623757	/nfs/dbraw/zinc/62/37/57/594623757.db2.gz	RRVMGRMZLBAGSI-LDYMZIIASA-N	-1	0	326.374	1.631	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CCN(C3CC3)C(=O)C2)c([N+](=O)[O-])c1	ZINC000833195312	594803756	/nfs/dbraw/zinc/80/37/56/594803756.db2.gz	FGPBNDAINMKZTG-QHHAFSJGSA-N	-1	0	331.328	1.504	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CCC3(CNC(=O)C3)CC2)c([N+](=O)[O-])c1	ZINC000833196917	594803845	/nfs/dbraw/zinc/80/38/45/594803845.db2.gz	ZCMSNAIITSQWEM-RQOWECAXSA-N	-1	0	345.355	1.799	20	10		EDCDRM
CS(C)(=O)=NS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000867269315	594948334	/nfs/dbraw/zinc/94/83/34/594948334.db2.gz	BYUAWUSKKKEFLO-UHFFFAOYSA-N	-1	0	347.245	1.761	20	10		EDCDRM
O=C([O-])N(CC(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000833998203	594985627	/nfs/dbraw/zinc/98/56/27/594985627.db2.gz	OZXSJVHIMGXAHA-UHFFFAOYSA-N	-1	0	333.388	1.282	20	10		EDCDRM
O=C([O-])NC[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	ZINC000834211049	595055228	/nfs/dbraw/zinc/05/52/28/595055228.db2.gz	VNUIAILRVAERFN-AWEZNQCLSA-N	-1	0	344.367	1.808	20	10		EDCDRM
CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000843259768	595055985	/nfs/dbraw/zinc/05/59/85/595055985.db2.gz	SPICHLQCRQGVAI-GXTWGEPZSA-N	-1	0	348.399	1.500	20	10		EDCDRM
O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000843879086	595207103	/nfs/dbraw/zinc/20/71/03/595207103.db2.gz	TZGOQFBPSRWDAX-MALLOTDXSA-N	-1	0	330.344	1.341	20	10		EDCDRM
COC1(CO)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000844209200	595302689	/nfs/dbraw/zinc/30/26/89/595302689.db2.gz	HNYCYXQNLXGIDH-HYXAFXHYSA-N	-1	0	336.344	1.670	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N(CCO)C2CCOCC2)c([N+](=O)[O-])c1	ZINC000844212937	595303638	/nfs/dbraw/zinc/30/36/38/595303638.db2.gz	QLUMTHDDZRZQOR-DUXPYHPUSA-N	-1	0	336.344	1.670	20	10		EDCDRM
CC(C)(C(=O)[O-])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000844250840	595312264	/nfs/dbraw/zinc/31/22/64/595312264.db2.gz	OEJNUWRHKMFTAE-CYBMUJFWSA-N	-1	0	347.415	1.115	20	10		EDCDRM
Cc1ccc2c(c1)CN(Cc1cc(=O)n3ncc(C(=O)[O-])c3[nH]1)CC2	ZINC000849344510	595509209	/nfs/dbraw/zinc/50/92/09/595509209.db2.gz	NUJTVWDOFRQFRQ-UHFFFAOYSA-N	-1	0	338.367	2.000	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC2CC(F)(F)C2)cc1	ZINC000853008433	595640150	/nfs/dbraw/zinc/64/01/50/595640150.db2.gz	QLEKPOUKPWTFQJ-UHFFFAOYSA-N	-1	0	342.342	1.748	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)C2)cc1	ZINC000851651524	595868669	/nfs/dbraw/zinc/86/86/69/595868669.db2.gz	LZCHFFCOYKHSGY-BBRMVZONSA-N	-1	0	349.431	1.930	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC[C@H]3C(=O)[O-])C2)cc1	ZINC000872876759	597106738	/nfs/dbraw/zinc/10/67/38/597106738.db2.gz	AXXMXRVNBCVBMY-APHBMKBZSA-N	-1	0	332.400	1.891	20	10		EDCDRM
O=C([O-])c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cn1	ZINC000919767077	697332364	/nfs/dbraw/zinc/33/23/64/697332364.db2.gz	AVFPQKYGVOJRGK-UHFFFAOYSA-N	-1	0	341.367	1.546	20	10		EDCDRM
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093559620	441889557	/nfs/dbraw/zinc/88/95/57/441889557.db2.gz	DMUSAJXMIQAQSF-RKDXNWHRSA-N	-1	0	348.808	1.961	20	10		EDCDRM
CC(=O)c1cc(Cl)cc(CN2CC[C@]3(C2)NC(=O)NC3=O)c1O	ZINC000363041120	445658330	/nfs/dbraw/zinc/65/83/30/445658330.db2.gz	KNIJIEAQUBUAKK-OAHLLOKOSA-N	-1	0	337.763	1.032	20	10		EDCDRM
O=C1CO[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2N1	ZINC000370706208	446395463	/nfs/dbraw/zinc/39/54/63/446395463.db2.gz	AZIFFARTPJRUNY-VXGBXAGGSA-N	-1	0	331.199	1.788	20	10		EDCDRM
CN1CCO[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000376353585	446450047	/nfs/dbraw/zinc/45/00/47/446450047.db2.gz	ZCKGJMWFGJTROE-LLVKDONJSA-N	-1	0	348.230	1.829	20	10		EDCDRM
NC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000026233152	486642035	/nfs/dbraw/zinc/64/20/35/486642035.db2.gz	NFTVJLHNEYQWHD-UHFFFAOYSA-N	-1	0	349.397	1.983	20	10		EDCDRM
O=C([O-])N1CCC(n2cc(C(=O)NCc3ccccc3O)nn2)CC1	ZINC000740448292	579348427	/nfs/dbraw/zinc/34/84/27/579348427.db2.gz	ABDZAITVFIRMMR-UHFFFAOYSA-N	-1	0	345.359	1.229	20	10		EDCDRM
CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	ZINC000732604772	578719986	/nfs/dbraw/zinc/71/99/86/578719986.db2.gz	MDDHSOYAHXLELH-UHFFFAOYSA-N	-1	0	338.429	1.984	20	10		EDCDRM
CNC(=O)NC(=O)[C@@H](C)N1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739750353	579245927	/nfs/dbraw/zinc/24/59/27/579245927.db2.gz	UOFWMKZOBNXLGL-SNVBAGLBSA-N	-1	0	334.376	1.051	20	10		EDCDRM
O=C([O-])NCCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000739952912	579273195	/nfs/dbraw/zinc/27/31/95/579273195.db2.gz	HTDYKWMYCTVOHG-AWEZNQCLSA-N	-1	0	336.388	1.948	20	10		EDCDRM
O=C([O-])C1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	ZINC000777864744	580452184	/nfs/dbraw/zinc/45/21/84/580452184.db2.gz	OQKTXDNJFQFFNB-UHFFFAOYSA-N	-1	0	336.363	1.268	20	10		EDCDRM
CN(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000788493120	580722821	/nfs/dbraw/zinc/72/28/21/580722821.db2.gz	YUACGHVKIMYPEC-UHFFFAOYSA-N	-1	0	336.369	1.957	20	10		EDCDRM
COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(Br)cc(C)c2O)C1	ZINC000895703727	591254590	/nfs/dbraw/zinc/25/45/90/591254590.db2.gz	OGVRGKNKIJTMAF-CQSZACIVSA-N	-1	0	344.205	1.573	20	10		EDCDRM
CC[C@@H](CN1CCOCC1)NC(=O)NCc1cccc(Cl)c1O	ZINC000896634625	591560881	/nfs/dbraw/zinc/56/08/81/591560881.db2.gz	ZBECOCBNTRFXFB-ZDUSSCGKSA-N	-1	0	341.839	1.956	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)cc1	ZINC000901935236	591869667	/nfs/dbraw/zinc/86/96/67/591869667.db2.gz	ZORKMODVYSXAJV-HZPDHXFCSA-N	-1	0	332.400	1.891	20	10		EDCDRM
CN(C)c1ccc(C[NH2+][C@@H](CC(=O)[O-])C(=O)[O-])c(C(F)(F)F)c1	ZINC000904053620	592416305	/nfs/dbraw/zinc/41/63/05/592416305.db2.gz	QNQBPMYOPVVHPD-NSHDSACASA-N	-1	0	334.294	1.789	20	10		EDCDRM
COc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl	ZINC000901704737	592435131	/nfs/dbraw/zinc/43/51/31/592435131.db2.gz	WEDHAOYVXZVJBB-UHFFFAOYSA-N	-1	0	331.781	1.897	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1F	ZINC000901755016	592459520	/nfs/dbraw/zinc/45/95/20/592459520.db2.gz	OLYLBFOLGUPHQJ-QWHCGFSZSA-N	-1	0	338.379	1.778	20	10		EDCDRM
COCc1ncsc1C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911487169	592928891	/nfs/dbraw/zinc/92/88/91/592928891.db2.gz	BRCSHRJYBMDKGH-UHFFFAOYSA-N	-1	0	336.369	1.722	20	10		EDCDRM
C[C@H](NC(=O)C(C)(C)NC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000736633152	593021680	/nfs/dbraw/zinc/02/16/80/593021680.db2.gz	LWOAHBXBJLPQOZ-LBPRGKRZSA-N	-1	0	335.404	1.747	20	10		EDCDRM
CN(CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])S(C)(=O)=O	ZINC000807839051	593203245	/nfs/dbraw/zinc/20/32/45/593203245.db2.gz	GPKZQPPBVPUPML-UHFFFAOYSA-N	-1	0	341.216	1.207	20	10		EDCDRM
O=S1(=O)CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H]2CCOC[C@H]21	ZINC000839186410	593272314	/nfs/dbraw/zinc/27/23/14/593272314.db2.gz	LRLCEDZWYDULIT-GXTWGEPZSA-N	-1	0	349.811	1.573	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1	ZINC000817888339	593645116	/nfs/dbraw/zinc/64/51/16/593645116.db2.gz	FJEZEEIZHSYISX-SFHVURJKSA-N	-1	0	347.415	1.034	20	10		EDCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCCCC(=O)[O-])c1	ZINC000818648489	593709876	/nfs/dbraw/zinc/70/98/76/593709876.db2.gz	RVSPBQKMKFSDKB-UHFFFAOYSA-N	-1	0	344.389	1.139	20	10		EDCDRM
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000824346549	593990067	/nfs/dbraw/zinc/99/00/67/593990067.db2.gz	JNTVZXDVXCWTAS-MRXNPFEDSA-N	-1	0	349.431	1.868	20	10		EDCDRM
C[C@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCN(C(=O)[O-])C1	ZINC000825673934	594213272	/nfs/dbraw/zinc/21/32/72/594213272.db2.gz	VMFCXPKWLGPOQD-SFHVURJKSA-N	-1	0	347.415	1.529	20	10		EDCDRM
O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2nn[nH]n2)s1	ZINC000823540628	594215533	/nfs/dbraw/zinc/21/55/33/594215533.db2.gz	IGIVUCAKIINNTD-JXMROGBWSA-N	-1	0	348.413	1.231	20	10		EDCDRM
CCN(CC)c1ccc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])cc1F	ZINC000829688252	594240368	/nfs/dbraw/zinc/24/03/68/594240368.db2.gz	YHOKSJJIXZGVAI-LLVKDONJSA-N	-1	0	346.424	1.812	20	10		EDCDRM
CSCCC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000829723376	594248050	/nfs/dbraw/zinc/24/80/50/594248050.db2.gz	RJIUMWYTGSWGLA-ZDUSSCGKSA-N	-1	0	325.434	1.931	20	10		EDCDRM
O=C([O-])N1CC[C@](F)(C(=O)NCCCSc2nccs2)C1	ZINC000831903065	594710369	/nfs/dbraw/zinc/71/03/69/594710369.db2.gz	SKXOWAMXVKNMPO-GFCCVEGCSA-N	-1	0	333.410	1.834	20	10		EDCDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)CC2(CC(=O)[O-])CC2)c1	ZINC000833733815	594918440	/nfs/dbraw/zinc/91/84/40/594918440.db2.gz	RKFQTSXPBOHLQT-JTQLQIEISA-N	-1	0	343.401	1.636	20	10		EDCDRM
CC[C@@H]1CO[C@@H](CC)CN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000846258977	595188753	/nfs/dbraw/zinc/18/87/53/595188753.db2.gz	YDCFPINAWMXPAX-NEPJUHHUSA-N	-1	0	334.376	1.523	20	10		EDCDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)C(=O)[O-]	ZINC000844254099	595313651	/nfs/dbraw/zinc/31/36/51/595313651.db2.gz	MUGAOOBNYVFVKY-MRVPVSSYSA-N	-1	0	329.736	1.268	20	10		EDCDRM
C[C@H](CNC(=O)NCc1cc(Br)ccc1O)C(=O)[O-]	ZINC000848587553	595410766	/nfs/dbraw/zinc/41/07/66/595410766.db2.gz	JKQBWNFNGPCXFF-SSDOTTSWSA-N	-1	0	331.166	1.675	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC2=CCCOC2)cc1	ZINC000853007915	595639954	/nfs/dbraw/zinc/63/99/54/595639954.db2.gz	GPOCJRJEKLMELK-UHFFFAOYSA-N	-1	0	334.372	1.049	20	10		EDCDRM
CN(C)c1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000013185510	595647676	/nfs/dbraw/zinc/64/76/76/595647676.db2.gz	ZGQQFGRGMJTSRS-UHFFFAOYSA-N	-1	0	334.397	1.929	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)NCCCCC(=O)[O-])C2)cc1	ZINC000851650564	595868061	/nfs/dbraw/zinc/86/80/61/595868061.db2.gz	DAINAKSBMCCTIT-CYBMUJFWSA-N	-1	0	335.404	1.828	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)NCC3(C(=O)[O-])CCC3)C2)cc1	ZINC000851654003	595868867	/nfs/dbraw/zinc/86/88/67/595868867.db2.gz	LQVIQCKZSICHMG-ZDUSSCGKSA-N	-1	0	347.415	1.828	20	10		EDCDRM
C[C@@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000874388700	597054093	/nfs/dbraw/zinc/05/40/93/597054093.db2.gz	ZOLSHWMOUXYFHQ-BPLDGKMQSA-N	-1	0	347.415	1.747	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)c2ccns2)cc1	ZINC000872881192	597108834	/nfs/dbraw/zinc/10/88/34/597108834.db2.gz	IPGOOGLNNCVRMT-NSHDSACASA-N	-1	0	349.412	1.920	20	10		EDCDRM
CNS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000092067855	441766843	/nfs/dbraw/zinc/76/68/43/441766843.db2.gz	LAVCFYROHKOLJS-JTQLQIEISA-N	-1	0	349.796	1.077	20	10		EDCDRM
CC(=O)NC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000179710704	442492080	/nfs/dbraw/zinc/49/20/80/442492080.db2.gz	XFYJNBUMYAZAPO-LBPRGKRZSA-N	-1	0	343.767	1.291	20	10		EDCDRM
COc1c(O)c(CN2CCO[C@]3(CCO[C@H]3C)C2)ccc1[N+](=O)[O-]	ZINC000279752793	443626330	/nfs/dbraw/zinc/62/63/30/443626330.db2.gz	YVFDBNYJBVMGDP-MEDUHNTESA-N	-1	0	338.360	1.689	20	10		EDCDRM
CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C12CCOCC2	ZINC000294883873	444153903	/nfs/dbraw/zinc/15/39/03/444153903.db2.gz	CFXCTQBYJJMCFX-CHWSQXEVSA-N	-1	0	339.363	1.941	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2nc(=O)[n-][nH]2)c1O	ZINC000289383081	444125455	/nfs/dbraw/zinc/12/54/55/444125455.db2.gz	QGPWNBVRFHVUSH-CYBMUJFWSA-N	-1	0	334.351	1.873	20	10		EDCDRM
COCCN(Cc1cccc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000290538000	444293156	/nfs/dbraw/zinc/29/31/56/444293156.db2.gz	RBVHLCWIALOHTN-LBPRGKRZSA-N	-1	0	333.837	1.681	20	10		EDCDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCO[C@H]3CCOC[C@H]32)c1[O-]	ZINC000366488495	446234556	/nfs/dbraw/zinc/23/45/56/446234556.db2.gz	JCMQCHPTZZUVHT-OLZOCXBDSA-N	-1	0	328.752	1.944	20	10		EDCDRM
CN1C(=O)[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCN2C1=O	ZINC000376162670	446361996	/nfs/dbraw/zinc/36/19/96/446361996.db2.gz	NEIWRQNDWQVQJM-LLVKDONJSA-N	-1	0	344.198	1.777	20	10		EDCDRM
CNC(=O)NC[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCO1	ZINC000529640068	448913521	/nfs/dbraw/zinc/91/35/21/448913521.db2.gz	BCOBCWMZNSTYIO-SNVBAGLBSA-N	-1	0	331.775	1.315	20	10		EDCDRM
O=C([O-])N1CCOC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000740447865	579348293	/nfs/dbraw/zinc/34/82/93/579348293.db2.gz	RAZMTMUZXRLUCI-HNNXBMFYSA-N	-1	0	333.388	1.282	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)NCCCN(C(=O)[O-])C2CC2)c1	ZINC000739929274	579269140	/nfs/dbraw/zinc/26/91/40/579269140.db2.gz	DBFWXWHIYLZDQF-UHFFFAOYSA-N	-1	0	337.376	1.733	20	10		EDCDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cncc(C(=O)OC)c1	ZINC000788490161	580722762	/nfs/dbraw/zinc/72/27/62/580722762.db2.gz	XTEPRAZZHBHWOL-UHFFFAOYSA-N	-1	0	336.369	1.937	20	10		EDCDRM
Cc1nccn1CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360221	593005660	/nfs/dbraw/zinc/00/56/60/593005660.db2.gz	PADWBINNOKKLNF-UHFFFAOYSA-N	-1	0	337.763	1.664	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](O)C1CCC1	ZINC000911360158	593005733	/nfs/dbraw/zinc/00/57/33/593005733.db2.gz	MVOMHGXJSNNAFR-CQSZACIVSA-N	-1	0	327.764	1.620	20	10		EDCDRM
Cn1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000805135647	593365470	/nfs/dbraw/zinc/36/54/70/593365470.db2.gz	WCSKEENLBUOMQE-UHFFFAOYSA-N	-1	0	336.200	1.911	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000829687944	594240402	/nfs/dbraw/zinc/24/04/02/594240402.db2.gz	RNRVAUYJYAJHNX-INIZCTEOSA-N	-1	0	349.431	1.918	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000830072306	594330519	/nfs/dbraw/zinc/33/05/19/594330519.db2.gz	CMKJXFPXNNCZES-OAHLLOKOSA-N	-1	0	335.404	1.446	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCOC2)NC(=O)[O-])cc1	ZINC000828057036	594331801	/nfs/dbraw/zinc/33/18/01/594331801.db2.gz	YKEMQEHVIUYDKE-HIFRSBDPSA-N	-1	0	335.404	1.604	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccn(C)n2)NC(=O)[O-])cc1	ZINC000828063342	594333310	/nfs/dbraw/zinc/33/33/10/594333310.db2.gz	CWUAAQNANUJGAJ-AWEZNQCLSA-N	-1	0	331.376	1.225	20	10		EDCDRM
COC[C@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C(=O)[O-]	ZINC000826140014	594343300	/nfs/dbraw/zinc/34/33/00/594343300.db2.gz	VBZKSQSCKIKDNF-INIZCTEOSA-N	-1	0	330.384	1.852	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2CNC(=O)[O-])cc1	ZINC000828356344	594399855	/nfs/dbraw/zinc/39/98/55/594399855.db2.gz	YDECEBHBNJURPA-INIZCTEOSA-N	-1	0	348.447	1.443	20	10		EDCDRM
Cc1nonc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830930286	594515393	/nfs/dbraw/zinc/51/53/93/594515393.db2.gz	QEXIJOUINZISPL-GFCCVEGCSA-N	-1	0	333.348	1.183	20	10		EDCDRM
COc1cccc(CNC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)c1O	ZINC000829559277	594639841	/nfs/dbraw/zinc/63/98/41/594639841.db2.gz	IIPHXSDQXXNZMD-LLVKDONJSA-N	-1	0	337.376	1.590	20	10		EDCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CCCN1CCOCC1	ZINC000832715031	594771331	/nfs/dbraw/zinc/77/13/31/594771331.db2.gz	MKEFARQSEDXNDC-UHFFFAOYSA-N	-1	0	333.432	1.929	20	10		EDCDRM
COCCN1C(=O)C2(CC2)N[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840839350	594819989	/nfs/dbraw/zinc/81/99/89/594819989.db2.gz	ZDJBPHMESYGIJN-LBPRGKRZSA-N	-1	0	341.751	1.563	20	10		EDCDRM
CC(C)C(=O)NCCN(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833467734	594853357	/nfs/dbraw/zinc/85/33/57/594853357.db2.gz	RXNINBGBLCVFJX-FNORWQNLSA-N	-1	0	335.360	1.901	20	10		EDCDRM
CCS(=O)(=O)C1CN(Cc2cccc(Br)c2[O-])C1	ZINC000841886760	594974373	/nfs/dbraw/zinc/97/43/73/594974373.db2.gz	XSJXCRFKLDOIBG-UHFFFAOYSA-N	-1	0	334.235	1.774	20	10		EDCDRM
C[C@H]1CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C2(CCC2)CO1	ZINC000846291687	595200170	/nfs/dbraw/zinc/20/01/70/595200170.db2.gz	SYBHWICNNUYZNN-JTQLQIEISA-N	-1	0	332.360	1.277	20	10		EDCDRM
Cc1noc([C@@H](C)N(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)n1	ZINC000848712299	595434452	/nfs/dbraw/zinc/43/44/52/595434452.db2.gz	HUMVCRHUBBIYPG-SSDOTTSWSA-N	-1	0	332.320	1.018	20	10		EDCDRM
Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cccc(F)c3[O-])C2)cn1	ZINC000874050698	596907805	/nfs/dbraw/zinc/90/78/05/596907805.db2.gz	NIQCIZKIFIEIFQ-STQMWFEESA-N	-1	0	333.363	1.955	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC3(CCC3)C2)cc1	ZINC000872951685	597137639	/nfs/dbraw/zinc/13/76/39/597137639.db2.gz	OGYCZHOZEOLMBR-UHFFFAOYSA-N	-1	0	332.400	1.989	20	10		EDCDRM
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000321302098	600678523	/nfs/dbraw/zinc/67/85/23/600678523.db2.gz	AGGAXYAERRRVPQ-UHFFFAOYSA-N	-1	0	337.353	1.965	20	10		EDCDRM
CO[N-]C(=O)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	ZINC000917522538	697030038	/nfs/dbraw/zinc/03/00/38/697030038.db2.gz	JPQRSGVHNITZEK-UHFFFAOYSA-N	-1	0	334.420	1.400	20	10		EDCDRM
CC(=O)NC[C@@H]1CN(Cc2cccc(Br)c2[O-])CCO1	ZINC000179714028	698315148	/nfs/dbraw/zinc/31/51/48/698315148.db2.gz	FJUHAABONQAZDE-GFCCVEGCSA-N	-1	0	343.221	1.492	20	10		EDCDRM
Cc1noc(C)c1CN1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	ZINC000179431199	442456797	/nfs/dbraw/zinc/45/67/97/442456797.db2.gz	VRDBMBDRTIEHIJ-UHFFFAOYSA-N	-1	0	345.399	1.969	20	10		EDCDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc(O)c(O)c1	ZINC000194368358	442884859	/nfs/dbraw/zinc/88/48/59/442884859.db2.gz	RWTOCTDLRIVKCP-NSHDSACASA-N	-1	0	334.294	1.417	20	10		EDCDRM
CCCCN(Cc1ccccc1O)C(=O)c1cnc([O-])n(C)c1=O	ZINC000282496846	443355949	/nfs/dbraw/zinc/35/59/49/443355949.db2.gz	NCALWWLKNUDARN-UHFFFAOYSA-N	-1	0	331.372	1.634	20	10		EDCDRM
COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)c1O	ZINC000284398150	443774000	/nfs/dbraw/zinc/77/40/00/443774000.db2.gz	POTDRJAJDQQVIS-KGLIPLIRSA-N	-1	0	326.824	1.959	20	10		EDCDRM
Cc1n[nH]cc1-c1nnc(NCc2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000376969817	446830152	/nfs/dbraw/zinc/83/01/52/446830152.db2.gz	XWFGRBPINUKHRI-UHFFFAOYSA-N	-1	0	332.345	2.463	20	10		EDCDRM
O=C1NCc2ccc([N-]S(=O)(=O)c3cccc4nonc43)cc21	ZINC000765071415	580134437	/nfs/dbraw/zinc/13/44/37/580134437.db2.gz	WKNLRINDCFBKHP-UHFFFAOYSA-N	-1	0	330.325	1.267	20	10		EDCDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000766048946	580157465	/nfs/dbraw/zinc/15/74/65/580157465.db2.gz	XRDRFPGURMAWII-UHFFFAOYSA-N	-1	0	347.352	1.978	20	10		EDCDRM
C[C@@H](NC(=O)N1CCC[C@H]1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000780477899	580523966	/nfs/dbraw/zinc/52/39/66/580523966.db2.gz	GLVJBQFVJICFRQ-CJNGLKHVSA-N	-1	0	347.415	1.843	20	10		EDCDRM
O=S1(=O)CCCN(Cc2cccc(Br)c2[O-])CC1	ZINC000219781076	591015774	/nfs/dbraw/zinc/01/57/74/591015774.db2.gz	AOYHVWMWXZDOQV-UHFFFAOYSA-N	-1	0	334.235	1.775	20	10		EDCDRM
COCCN(Cc1cc(F)cc(F)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000894779691	591415412	/nfs/dbraw/zinc/41/54/12/591415412.db2.gz	MATMOFFFNTUAJE-LBPRGKRZSA-N	-1	0	335.372	1.306	20	10		EDCDRM
Cc1nnc(CN2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)[nH]1	ZINC000895262138	591687049	/nfs/dbraw/zinc/68/70/49/591687049.db2.gz	JSSBORGXMNAJKO-UHFFFAOYSA-N	-1	0	339.802	1.929	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC000901917076	591859431	/nfs/dbraw/zinc/85/94/31/591859431.db2.gz	GDVUHVMRFCEFTP-GXTWGEPZSA-N	-1	0	348.399	1.748	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H]2COC[C@H]2C2CC2)cc1	ZINC000899855382	591964323	/nfs/dbraw/zinc/96/43/23/591964323.db2.gz	VWVAJZDWSXYWRV-HOTGVXAUSA-N	-1	0	348.399	1.127	20	10		EDCDRM
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911487404	592928811	/nfs/dbraw/zinc/92/88/11/592928811.db2.gz	SVGQQKPSONNPQZ-OCCSQVGLSA-N	-1	0	337.372	1.390	20	10		EDCDRM
Cn1ncc2c1C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccccc1O)CC2	ZINC000911489659	592929489	/nfs/dbraw/zinc/92/94/89/592929489.db2.gz	VRJYXQMSVPPBKG-LBPRGKRZSA-N	-1	0	343.383	1.344	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C12CC(C(=O)[O-])(C1)C2	ZINC000911130643	592932463	/nfs/dbraw/zinc/93/24/63/592932463.db2.gz	CTJWDZNTAYHOTH-UHFFFAOYSA-N	-1	0	344.411	1.737	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@@H]3C(=O)[O-])CC2)cc1	ZINC000911250792	592968244	/nfs/dbraw/zinc/96/82/44/592968244.db2.gz	ILYMWOKOQGQPQK-CVEARBPZSA-N	-1	0	332.400	1.845	20	10		EDCDRM
O=C([O-])c1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)no1	ZINC000911227578	592969348	/nfs/dbraw/zinc/96/93/48/592969348.db2.gz	POTIAICJBUODGR-UHFFFAOYSA-N	-1	0	347.396	1.856	20	10		EDCDRM
O=S1(=O)CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H]2CCOC[C@@H]21	ZINC000839185668	593272209	/nfs/dbraw/zinc/27/22/09/593272209.db2.gz	FRGLUDRSBHFZRF-STQMWFEESA-N	-1	0	349.811	1.573	20	10		EDCDRM
COCCn1c(C)c(C)c2cc(C(=O)Nn3c(=O)[n-][nH]c3=O)ccc21	ZINC000816731703	593544387	/nfs/dbraw/zinc/54/43/87/593544387.db2.gz	BHXQRWQSNVNFFP-UHFFFAOYSA-N	-1	0	345.359	1.291	20	10		EDCDRM
CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000817354137	593594475	/nfs/dbraw/zinc/59/44/75/593594475.db2.gz	TVHVQBANYACIGO-NSHDSACASA-N	-1	0	331.390	1.893	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)NCCCC(=O)[O-])C2)cc1	ZINC000818624798	593708470	/nfs/dbraw/zinc/70/84/70/593708470.db2.gz	RGQWXGJLYCOTQO-ZDUSSCGKSA-N	-1	0	335.404	1.686	20	10		EDCDRM
C[C@H](CN(C)C(=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000824846327	594083719	/nfs/dbraw/zinc/08/37/19/594083719.db2.gz	BZJYCJUVPVBQEK-KGLIPLIRSA-N	-1	0	349.431	1.946	20	10		EDCDRM
Cc1cc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)nn1C	ZINC000829945267	594298088	/nfs/dbraw/zinc/29/80/88/594298088.db2.gz	IYYHDBSWACUPBM-OAHLLOKOSA-N	-1	0	345.403	1.533	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCSC2)NC(=O)[O-])cc1	ZINC000828055866	594331809	/nfs/dbraw/zinc/33/18/09/594331809.db2.gz	KZEXHNFRKQAXFC-OCCSQVGLSA-N	-1	0	337.445	1.931	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCSC2)NC(=O)[O-])cc1	ZINC000828055864	594331828	/nfs/dbraw/zinc/33/18/28/594331828.db2.gz	KZEXHNFRKQAXFC-JSGCOSHPSA-N	-1	0	337.445	1.931	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)C[C@@H]2CSCCN2C(=O)[O-])cc1	ZINC000828067813	594334113	/nfs/dbraw/zinc/33/41/13/594334113.db2.gz	NGKAEGNRJRHHAI-CQSZACIVSA-N	-1	0	337.445	1.854	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CN(C(=O)[O-])C1	ZINC000828360582	594400846	/nfs/dbraw/zinc/40/08/46/594400846.db2.gz	ZRHCCLLLLGURTE-UHFFFAOYSA-N	-1	0	348.403	1.027	20	10		EDCDRM
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000826951819	594608991	/nfs/dbraw/zinc/60/89/91/594608991.db2.gz	QNHWAVKKIBQYMM-UHFFFAOYSA-N	-1	0	345.403	1.480	20	10		EDCDRM
O=C([O-])N1CCC[C@@H]1CC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000831335370	594609764	/nfs/dbraw/zinc/60/97/64/594609764.db2.gz	RNOQEKKSBKRMIU-MRXNPFEDSA-N	-1	0	347.415	1.672	20	10		EDCDRM
C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000827295215	594659236	/nfs/dbraw/zinc/65/92/36/594659236.db2.gz	GTZHUMXQYPNANG-ZDUSSCGKSA-N	-1	0	334.416	1.622	20	10		EDCDRM
CO[C@@H]1COC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000827474127	594675664	/nfs/dbraw/zinc/67/56/64/594675664.db2.gz	RBGYZPWYRHHMCD-GHMZBOCLSA-N	-1	0	335.187	1.912	20	10		EDCDRM
O=C([O-])N1CCO[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000831715567	594695460	/nfs/dbraw/zinc/69/54/60/594695460.db2.gz	UCUCXFXMUHACKP-OAHLLOKOSA-N	-1	0	333.388	1.282	20	10		EDCDRM
COc1ccc(N(C)CC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1F	ZINC000832378303	594746155	/nfs/dbraw/zinc/74/61/55/594746155.db2.gz	IYPJGKARROGYAO-ZDUSSCGKSA-N	-1	0	326.368	1.886	20	10		EDCDRM
CC[C@H](C)[C@@H](NC(=O)CN1CCOc2cc(N(C)C)ccc21)C(=O)[O-]	ZINC000833637182	594894261	/nfs/dbraw/zinc/89/42/61/594894261.db2.gz	CQWCYRSANQOSBI-YVEFUNNKSA-N	-1	0	349.431	1.567	20	10		EDCDRM
C[C@H]1CN(CCO)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000844209979	595303003	/nfs/dbraw/zinc/30/30/03/595303003.db2.gz	MQCKPWKAGOAHDB-FHMRSRPSSA-N	-1	0	335.360	1.195	20	10		EDCDRM
C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000848587852	595410722	/nfs/dbraw/zinc/41/07/22/595410722.db2.gz	MUNDIJBYGWNBOQ-JSGCOSHPSA-N	-1	0	336.388	1.804	20	10		EDCDRM
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000848610847	595417332	/nfs/dbraw/zinc/41/73/32/595417332.db2.gz	QWTXLPSFPNWHBY-GFCCVEGCSA-N	-1	0	336.388	1.358	20	10		EDCDRM
Cc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)c(C)n1-c1ccccn1	ZINC000852960978	595630480	/nfs/dbraw/zinc/63/04/80/595630480.db2.gz	XCRDTZVNCVZBAH-UHFFFAOYSA-N	-1	0	343.383	1.853	20	10		EDCDRM
CN(Cc1cn(C[C@@H]2CCOC2)nn1)c1ccc(OCC(=O)[O-])cc1	ZINC000872161036	596817027	/nfs/dbraw/zinc/81/70/27/596817027.db2.gz	QVBVIFSMOMBUNJ-ZDUSSCGKSA-N	-1	0	346.387	1.414	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1	ZINC000872983294	597150440	/nfs/dbraw/zinc/15/04/40/597150440.db2.gz	DIOGUDDSEMLKFP-KGLIPLIRSA-N	-1	0	348.399	1.081	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000872984732	597151042	/nfs/dbraw/zinc/15/10/42/597151042.db2.gz	RNOKIPGNXBKWNB-CYBMUJFWSA-N	-1	0	348.399	1.414	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC(F)(F)CC2)cc1	ZINC000872987813	597151490	/nfs/dbraw/zinc/15/14/90/597151490.db2.gz	AAVRFSQONSKBHH-UHFFFAOYSA-N	-1	0	342.342	1.844	20	10		EDCDRM
CCOc1ccc(N(CC2CC2)[C@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC000873644048	597328750	/nfs/dbraw/zinc/32/87/50/597328750.db2.gz	SBVXCQNXDOELJT-INIZCTEOSA-N	-1	0	332.400	1.987	20	10		EDCDRM
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1	ZINC000873883801	597431653	/nfs/dbraw/zinc/43/16/53/597431653.db2.gz	JHVBFBZIVQCKDX-UHFFFAOYSA-N	-1	0	327.383	1.597	20	10		EDCDRM
CCN(C)c1ccc(Cn2cc(C[N-]C(=O)C(F)(F)F)nn2)cc1	ZINC000881313799	598123443	/nfs/dbraw/zinc/12/34/43/598123443.db2.gz	UFOLIIQUEDKIOH-UHFFFAOYSA-N	-1	0	341.337	1.961	20	10		EDCDRM
CCC[C@H](NC(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000739299701	602354612	/nfs/dbraw/zinc/35/46/12/602354612.db2.gz	AKEMLRLKAUWSMO-INIZCTEOSA-N	-1	0	349.431	1.918	20	10		EDCDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CCOC)c1	ZINC000276760282	443816336	/nfs/dbraw/zinc/81/63/36/443816336.db2.gz	AGUQQZWZELDTDN-UHFFFAOYSA-N	-1	0	341.389	1.435	20	10		EDCDRM
Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc[nH]3)CC2)c(O)c1O	ZINC000365008590	445974619	/nfs/dbraw/zinc/97/46/19/445974619.db2.gz	CINUUEGRSAFCGJ-UHFFFAOYSA-N	-1	0	343.383	1.723	20	10		EDCDRM
COc1c(O)c(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)ccc1[N+](=O)[O-]	ZINC000367656610	446572177	/nfs/dbraw/zinc/57/21/77/446572177.db2.gz	DLCWLRTUHNWIAT-MLGOLLRUSA-N	-1	0	346.339	1.893	20	10		EDCDRM
Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccncc3)C2)c(O)c1O	ZINC000367888525	446604746	/nfs/dbraw/zinc/60/47/46/446604746.db2.gz	YAIYWQWSKVVJDO-ZDUSSCGKSA-N	-1	0	341.367	1.446	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(=O)[O-])nc1	ZINC000608559491	449872329	/nfs/dbraw/zinc/87/23/29/449872329.db2.gz	STSDKUZLNKVVOB-UHFFFAOYSA-N	-1	0	327.340	1.885	20	10		EDCDRM
O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)C1=CC(=O)CS1	ZINC000732354420	578707444	/nfs/dbraw/zinc/70/74/44/578707444.db2.gz	LQZZTKDQYUBOGE-UHFFFAOYSA-N	-1	0	338.366	1.633	20	10		EDCDRM
COCCCNC(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739807588	579253658	/nfs/dbraw/zinc/25/36/58/579253658.db2.gz	MWXCRIPNOUYKIR-UHFFFAOYSA-N	-1	0	335.404	1.360	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)NCCCN(C(=O)[O-])C(C)C)c1	ZINC000739928717	579269166	/nfs/dbraw/zinc/26/91/66/579269166.db2.gz	AYWXUAFYYYXEFE-UHFFFAOYSA-N	-1	0	339.392	1.979	20	10		EDCDRM
COc1cccc(CNC(=O)[C@@H](CCSC)NC(=O)[O-])c1O	ZINC000739948488	579272422	/nfs/dbraw/zinc/27/24/22/579272422.db2.gz	YVYRVDMHAJCEKF-SNVBAGLBSA-N	-1	0	328.390	1.406	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000740076813	579287537	/nfs/dbraw/zinc/28/75/37/579287537.db2.gz	DOTBTFXRWGWRIQ-HNNXBMFYSA-N	-1	0	334.420	1.906	20	10		EDCDRM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(O)cc1F	ZINC000758171497	579976108	/nfs/dbraw/zinc/97/61/08/579976108.db2.gz	UIUYVQQFQBCEID-UHFFFAOYSA-N	-1	0	329.309	1.232	20	10		EDCDRM
COC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765098869	580135300	/nfs/dbraw/zinc/13/53/00/580135300.db2.gz	DXQSSPYKIJSMDG-UHFFFAOYSA-N	-1	0	347.352	1.739	20	10		EDCDRM
CCCN(Cc1ccccc1O)C(=O)c1c[n-]n2c1nccc2=O	ZINC000774043129	580352270	/nfs/dbraw/zinc/35/22/70/580352270.db2.gz	KAOMKJGGTGABEI-UHFFFAOYSA-N	-1	0	326.356	1.781	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)cnc1N	ZINC000775286944	580387312	/nfs/dbraw/zinc/38/73/12/580387312.db2.gz	RLWMRLWBQRVLRZ-UHFFFAOYSA-N	-1	0	337.357	1.265	20	10		EDCDRM
C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)[O-]	ZINC000780611085	580528676	/nfs/dbraw/zinc/52/86/76/580528676.db2.gz	SBLXJLKJHRMVAN-SNVBAGLBSA-N	-1	0	339.367	1.059	20	10		EDCDRM
COc1ccc(N(C)CCN(C)C(=O)c2cc(C(=O)[O-])nn2C)cc1	ZINC000902016803	591897585	/nfs/dbraw/zinc/89/75/85/591897585.db2.gz	PQBGISCPLZPETA-UHFFFAOYSA-N	-1	0	346.387	1.335	20	10		EDCDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000902081535	591909604	/nfs/dbraw/zinc/90/96/04/591909604.db2.gz	ZYGRFNGABPSHRP-HZPDHXFCSA-N	-1	0	332.400	1.375	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1	ZINC000901605309	592410436	/nfs/dbraw/zinc/41/04/36/592410436.db2.gz	QYUXRLGBNMPVQW-GDBMZVCRSA-N	-1	0	334.416	1.981	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)NC(C)(C)C(=O)[O-])C2)cc1	ZINC000909132643	592737638	/nfs/dbraw/zinc/73/76/38/592737638.db2.gz	WFMQWLIYYORALO-LBPRGKRZSA-N	-1	0	335.404	1.684	20	10		EDCDRM
C[C@@H](CN1CCOCC1)N(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000910375126	592849218	/nfs/dbraw/zinc/84/92/18/592849218.db2.gz	YJPIKJCAMHDPOR-BPJJOFIESA-N	-1	0	349.387	1.850	20	10		EDCDRM
Cc1cc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1	ZINC000910534616	592872786	/nfs/dbraw/zinc/87/27/86/592872786.db2.gz	YJRVKDHDJXGVLP-SFHVURJKSA-N	-1	0	346.358	1.895	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)c2cccn21	ZINC000911488287	592929137	/nfs/dbraw/zinc/92/91/37/592929137.db2.gz	KLHFTWMBDXDBGM-CQSZACIVSA-N	-1	0	342.351	1.825	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1Cc2ccccc2CO1	ZINC000911494200	592930818	/nfs/dbraw/zinc/93/08/18/592930818.db2.gz	SVQLRSOCMSFVER-QGZVFWFLSA-N	-1	0	341.363	1.947	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)c3cc(C(=O)[O-])on3)CC2)cc1F	ZINC000911582367	592954785	/nfs/dbraw/zinc/95/47/85/592954785.db2.gz	ONRPZJIVYFLQIR-UHFFFAOYSA-N	-1	0	349.318	1.483	20	10		EDCDRM
Cn1cc(CC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cn1	ZINC000911359984	593005704	/nfs/dbraw/zinc/00/57/04/593005704.db2.gz	JJTMKMHCSPXDAJ-UHFFFAOYSA-N	-1	0	337.763	1.435	20	10		EDCDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCOCC(F)(F)F	ZINC000811698347	593476250	/nfs/dbraw/zinc/47/62/50/593476250.db2.gz	ZXAVIBAZSFPQAL-UHFFFAOYSA-N	-1	0	341.307	1.915	20	10		EDCDRM
Cc1c(Cl)c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)nn1C	ZINC000817706576	593625334	/nfs/dbraw/zinc/62/53/34/593625334.db2.gz	COABASCBCPSGKS-CLTKARDFSA-N	-1	0	331.806	1.668	20	10		EDCDRM
Cn1cnc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000815650651	593645410	/nfs/dbraw/zinc/64/54/10/593645410.db2.gz	XXDZDCSQYLULMO-UHFFFAOYSA-N	-1	0	344.158	1.082	20	10		EDCDRM
CN(Cc1ccccc1O)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825981077	594296758	/nfs/dbraw/zinc/29/67/58/594296758.db2.gz	OHKAUGCTMZWCJR-UHFFFAOYSA-N	-1	0	345.384	1.393	20	10		EDCDRM
C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C(=O)[O-]	ZINC000826007568	594304845	/nfs/dbraw/zinc/30/48/45/594304845.db2.gz	MFGGDSOAOCOYKJ-ZDUSSCGKSA-N	-1	0	346.431	1.963	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)CN2CC[C@@H](N(C)C(=O)[O-])C2)cc1	ZINC000828067499	594334195	/nfs/dbraw/zinc/33/41/95/594334195.db2.gz	IZAQYHLVILLWGC-OAHLLOKOSA-N	-1	0	334.420	1.053	20	10		EDCDRM
C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C(=O)[O-]	ZINC000828363449	594401567	/nfs/dbraw/zinc/40/15/67/594401567.db2.gz	WERNCMITTLZIDF-SWLSCSKDSA-N	-1	0	331.416	1.931	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c1	ZINC000829483428	594623350	/nfs/dbraw/zinc/62/33/50/594623350.db2.gz	HRDDLVSHHYIBSL-GWCFXTLKSA-N	-1	0	337.376	1.636	20	10		EDCDRM
O=C([O-])N1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000831709617	594694826	/nfs/dbraw/zinc/69/48/26/594694826.db2.gz	XCRZZUPQCBFTLJ-LBPRGKRZSA-N	-1	0	333.388	1.823	20	10		EDCDRM
O=C([O-])N[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	ZINC000832364825	594745245	/nfs/dbraw/zinc/74/52/45/594745245.db2.gz	CXPXXAVDLLAPAR-MRVPVSSYSA-N	-1	0	336.304	1.162	20	10		EDCDRM
COc1ccc(N2CCN(c3ccc(C(=O)[O-])nn3)CC2)cc1F	ZINC000832384073	594746393	/nfs/dbraw/zinc/74/63/93/594746393.db2.gz	RXXLAZYMIOFIDL-UHFFFAOYSA-N	-1	0	332.335	1.649	20	10		EDCDRM
Cc1nc2n(n1)CCN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C2	ZINC000833007589	594790795	/nfs/dbraw/zinc/79/07/95/594790795.db2.gz	WAKHOIBGROZFAR-HYXAFXHYSA-N	-1	0	329.316	1.613	20	10		EDCDRM
CN(Cc1cc(=O)n2nccc2[nH]1)c1ccc(OCC(=O)[O-])cc1	ZINC000833694326	594908309	/nfs/dbraw/zinc/90/83/09/594908309.db2.gz	FQOQLAYMTXLMLS-UHFFFAOYSA-N	-1	0	328.328	1.122	20	10		EDCDRM
COc1cc(O)c(CN2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1OC	ZINC000833887201	594958602	/nfs/dbraw/zinc/95/86/02/594958602.db2.gz	CHEIZASSWVOTSJ-MEBBXXQBSA-N	-1	0	340.376	1.266	20	10		EDCDRM
COC1CCN(c2ccc(CN3CCOC[C@H]3C(=O)[O-])cc2)CC1	ZINC000846224890	595178578	/nfs/dbraw/zinc/17/85/78/595178578.db2.gz	CDQPRKYBVKNHSA-KRWDZBQOSA-N	-1	0	334.416	1.587	20	10		EDCDRM
CN(C[C@H](O)COC1CCOCC1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279818	595195563	/nfs/dbraw/zinc/19/55/63/595195563.db2.gz	MMPYROVTDRKWDB-AWEZNQCLSA-N	-1	0	339.388	1.143	20	10		EDCDRM
Cc1nn(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c(=O)n1C	ZINC000848079995	595316595	/nfs/dbraw/zinc/31/65/95/595316595.db2.gz	UCOAKJPOOFVMLL-UHFFFAOYSA-N	-1	0	345.186	1.219	20	10		EDCDRM
CCO[N-]C(=O)CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	ZINC000845533457	595513112	/nfs/dbraw/zinc/51/31/12/595513112.db2.gz	DAGZEVSTWJZEON-ZDUSSCGKSA-N	-1	0	336.436	1.359	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)[C@H]2CCOC2)cc1	ZINC000853007484	595640206	/nfs/dbraw/zinc/64/02/06/595640206.db2.gz	AUZJKMPNYUOVOU-STQMWFEESA-N	-1	0	336.388	1.127	20	10		EDCDRM
CO[C@H](CC(C)C)CS(=O)(=O)[N-]N=c1[nH]c2cccnc2s1	ZINC000857225820	596191002	/nfs/dbraw/zinc/19/10/02/596191002.db2.gz	SGNXBAQZGUHTDI-SNVBAGLBSA-N	-1	0	344.462	1.999	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2CCN(S(C)(=O)=O)[C@H](C)C2)c1O	ZINC000852531316	596191590	/nfs/dbraw/zinc/19/15/90/596191590.db2.gz	ZRFHKGNTQCQIQM-SNVBAGLBSA-N	-1	0	344.408	1.200	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2C[C@H](C)OC[C@H]2C)cc1	ZINC000872903314	597118180	/nfs/dbraw/zinc/11/81/80/597118180.db2.gz	MWRAWBZDGSMQFT-OLZOCXBDSA-N	-1	0	336.388	1.222	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCOC3(CCC3)C2)cc1	ZINC000872971961	597145648	/nfs/dbraw/zinc/14/56/48/597145648.db2.gz	SIOADNQXKBBZKA-UHFFFAOYSA-N	-1	0	348.399	1.368	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@]2(C)CCCOC2)cc1	ZINC000872986038	597151733	/nfs/dbraw/zinc/15/17/33/597151733.db2.gz	QIUQTIOGGAPBPG-KRWDZBQOSA-N	-1	0	336.388	1.272	20	10		EDCDRM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCOC[C@@H]2C)c1	ZINC000124579800	597313982	/nfs/dbraw/zinc/31/39/82/597313982.db2.gz	QWUCYYVAWQQIPU-AWEZNQCLSA-N	-1	0	348.443	1.648	20	10		EDCDRM
C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCN1C(=O)[O-]	ZINC000739168838	603361777	/nfs/dbraw/zinc/36/17/77/603361777.db2.gz	DFAODXBUJMCTIQ-CYBMUJFWSA-N	-1	0	334.420	1.053	20	10		EDCDRM
O=C([O-])NC[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1	ZINC000832584461	604337596	/nfs/dbraw/zinc/33/75/96/604337596.db2.gz	VHFDUIADXMKMRG-JTQLQIEISA-N	-1	0	344.462	1.924	20	10		EDCDRM
O=C1NCCCC[C@H]1N1CCN(Cc2cccc(Cl)c2[O-])CC1	ZINC000378442899	447428237	/nfs/dbraw/zinc/42/82/37/447428237.db2.gz	LKLGGUHQSIIHJC-OAHLLOKOSA-N	-1	0	337.851	1.832	20	10		EDCDRM
CCC[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000185020807	443119774	/nfs/dbraw/zinc/11/97/74/443119774.db2.gz	JDGYNDHRUUZNCA-FSNWXROXSA-N	-1	0	332.400	1.906	20	10		EDCDRM
O=C(c1cccc(O)c1O)N1CCOC[C@@H]1C[C@H](O)c1ccco1	ZINC000279867914	443632795	/nfs/dbraw/zinc/63/27/95/443632795.db2.gz	QKJJFSGYLNDGAJ-FZMZJTMJSA-N	-1	0	333.340	1.656	20	10		EDCDRM
CCOc1ccnc(N2CCN(C(=O)c3cccc(O)c3O)CC2)n1	ZINC000274991914	443617406	/nfs/dbraw/zinc/61/74/06/443617406.db2.gz	RTMMUFQFKXGVHE-UHFFFAOYSA-N	-1	0	344.371	1.249	20	10		EDCDRM
C[C@H]1CCSCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000276893453	443867781	/nfs/dbraw/zinc/86/77/81/443867781.db2.gz	RDZXMMIUQFQRPN-JTQLQIEISA-N	-1	0	344.458	1.731	20	10		EDCDRM
COc1c(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)ccc1[N+](=O)[O-]	ZINC000278231648	444120838	/nfs/dbraw/zinc/12/08/38/444120838.db2.gz	MTSGGABGHMGJMO-GFCCVEGCSA-N	-1	0	333.348	1.738	20	10		EDCDRM
CC(C)(C(N)=O)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000295326757	444178398	/nfs/dbraw/zinc/17/83/98/444178398.db2.gz	LSHPFJPJDJQEEF-UHFFFAOYSA-N	-1	0	329.803	1.566	20	10		EDCDRM
CN1CCO[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000376353586	446449839	/nfs/dbraw/zinc/44/98/39/446449839.db2.gz	ZCKGJMWFGJTROE-NSHDSACASA-N	-1	0	348.230	1.829	20	10		EDCDRM
CCCOc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)c(O)c1	ZINC000371324786	446774426	/nfs/dbraw/zinc/77/44/26/446774426.db2.gz	ALDONDUYSXQMRB-HNNXBMFYSA-N	-1	0	342.461	1.695	20	10		EDCDRM
CNC(=O)NC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCO1	ZINC000529644737	448916084	/nfs/dbraw/zinc/91/60/84/448916084.db2.gz	WPSLSWKTOIVGBR-NSHDSACASA-N	-1	0	331.775	1.315	20	10		EDCDRM
CC(C)[C@H](NC(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000736366488	578982876	/nfs/dbraw/zinc/98/28/76/578982876.db2.gz	XQMQABJEXBGOEO-INIZCTEOSA-N	-1	0	349.431	1.774	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)NCCNC(=O)[O-])cc1F	ZINC000739414325	579202398	/nfs/dbraw/zinc/20/23/98/579202398.db2.gz	KVRNHYWTLFTHKW-UHFFFAOYSA-N	-1	0	326.372	1.739	20	10		EDCDRM
CCOC(=O)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)o1	ZINC000751512681	579811115	/nfs/dbraw/zinc/81/11/15/579811115.db2.gz	FAKJFOWBRLHGLG-RAXLEYEMSA-N	-1	0	326.308	1.918	20	10		EDCDRM
C[S@](=O)CCN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775716540	580398354	/nfs/dbraw/zinc/39/83/54/580398354.db2.gz	CLOKVHAVNZKMAL-NRFANRHFSA-N	-1	0	334.844	1.681	20	10		EDCDRM
CN1CCc2ccc(S(=O)(=O)Nc3ccc(O)cc3C(=O)[O-])cc21	ZINC000776434326	580417187	/nfs/dbraw/zinc/41/71/87/580417187.db2.gz	CHAVDQXYVVQEFD-UHFFFAOYSA-N	-1	0	348.380	1.884	20	10		EDCDRM
COC(=O)[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccn(C)n1	ZINC000792179063	580812599	/nfs/dbraw/zinc/81/25/99/580812599.db2.gz	FMAPXHSCJHJZES-ZDUSSCGKSA-N	-1	0	327.743	1.922	20	10		EDCDRM
O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000793948212	580861575	/nfs/dbraw/zinc/86/15/75/580861575.db2.gz	BKIKFTPVKBYNSN-KRXBUXKQSA-N	-1	0	339.311	1.431	20	10		EDCDRM
C[C@@H](NC(=O)N(C)[C@@H](C)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000797714526	580979522	/nfs/dbraw/zinc/97/95/22/580979522.db2.gz	JPUVZGCWBCVDBC-OLZOCXBDSA-N	-1	0	335.404	1.699	20	10		EDCDRM
COC(=O)[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])[C@H](C(=O)OC)C1	ZINC000894430459	591310438	/nfs/dbraw/zinc/31/04/38/591310438.db2.gz	GFJKXULMHHILHN-RNCFNFMXSA-N	-1	0	343.326	1.597	20	10		EDCDRM
COC(=O)[C@](C)(CO)NCc1cc(Br)cc(F)c1[O-]	ZINC000894973079	591505353	/nfs/dbraw/zinc/50/53/53/591505353.db2.gz	WTEYWTSXNFEZOW-LBPRGKRZSA-N	-1	0	336.157	1.307	20	10		EDCDRM
Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2ccc(F)c(F)c2[O-])cn1	ZINC000895379602	591737062	/nfs/dbraw/zinc/73/70/62/591737062.db2.gz	MSYKAIWVMROEBF-NPMABZOXSA-N	-1	0	341.383	1.710	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)cc1F	ZINC000901921019	591861557	/nfs/dbraw/zinc/86/15/57/591861557.db2.gz	MDKFZUMLEMGJPH-CHWSQXEVSA-N	-1	0	336.363	1.594	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)[C@]3(C(=O)[O-])C[C@H]3C)C2)cc1	ZINC000901681961	592436855	/nfs/dbraw/zinc/43/68/55/592436855.db2.gz	OLBOSNZUOZCOSQ-VBHSOAQHSA-N	-1	0	332.400	1.749	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)Cc1cnn2c1CCCC2	ZINC000911488295	592929146	/nfs/dbraw/zinc/92/91/46/592929146.db2.gz	KZBSZTMLPWIYKR-UHFFFAOYSA-N	-1	0	343.383	1.581	20	10		EDCDRM
C[C@@]1(Br)C[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911488743	592929320	/nfs/dbraw/zinc/92/93/20/592929320.db2.gz	NOGHAMUVHGEDRI-IINYFYTJSA-N	-1	0	342.189	1.979	20	10		EDCDRM
O=C([O-])c1cncc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	ZINC000911206962	592954839	/nfs/dbraw/zinc/95/48/39/592954839.db2.gz	DICAYGBDMSABKX-UHFFFAOYSA-N	-1	0	341.367	1.546	20	10		EDCDRM
CNS(=O)(=O)c1cc(NC(=O)C2=CC(=O)CS2)ccc1[O-]	ZINC000807384466	593167628	/nfs/dbraw/zinc/16/76/28/593167628.db2.gz	LMHJPBFHHMHDBS-UHFFFAOYSA-N	-1	0	328.371	1.320	20	10		EDCDRM
C[C@H](C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1)n1cncn1	ZINC000823687632	593835042	/nfs/dbraw/zinc/83/50/42/593835042.db2.gz	YCRCOMXODUYTOT-RISCZKNCSA-N	-1	0	346.391	1.030	20	10		EDCDRM
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C(=O)[O-]	ZINC000826007551	594304822	/nfs/dbraw/zinc/30/48/22/594304822.db2.gz	LYZUWSNMZXSOIZ-AWEZNQCLSA-N	-1	0	344.415	1.957	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CC[C@](F)(C(=O)[O-])C2)cc1	ZINC000830831397	594490905	/nfs/dbraw/zinc/49/09/05/594490905.db2.gz	WXOWKCZUOHSKKG-QGZVFWFLSA-N	-1	0	337.395	1.210	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000829484565	594623619	/nfs/dbraw/zinc/62/36/19/594623619.db2.gz	TVGRQPIOLVIECN-CYBMUJFWSA-N	-1	0	338.360	1.176	20	10		EDCDRM
Nc1ccc(Cc2nc(C(=O)N3CC[C@H](C(=O)[O-])C3)cs2)cc1	ZINC000844931255	595415870	/nfs/dbraw/zinc/41/58/70/595415870.db2.gz	CIMUAPOPTDZIOW-NSHDSACASA-N	-1	0	331.397	1.863	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])C2)cc1	ZINC000849183429	595492158	/nfs/dbraw/zinc/49/21/58/595492158.db2.gz	RAVYZWCNXAGAQE-UPJWGTAASA-N	-1	0	336.388	1.268	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H](OC)C2CC2)cc1	ZINC000853008800	595640889	/nfs/dbraw/zinc/64/08/89/595640889.db2.gz	ZMYIZNZVAZJAOY-HNNXBMFYSA-N	-1	0	336.388	1.127	20	10		EDCDRM
O=C([O-])C1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000857096846	596155845	/nfs/dbraw/zinc/15/58/45/596155845.db2.gz	HEFDEXIALSNGDJ-UHFFFAOYSA-N	-1	0	335.429	1.466	20	10		EDCDRM
O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@H](C(F)(F)F)C1)cc2=O	ZINC000872163045	596817708	/nfs/dbraw/zinc/81/77/08/596817708.db2.gz	UIHWMWMTORDCAE-QMMMGPOBSA-N	-1	0	344.293	1.907	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)cc1	ZINC000874388548	597054076	/nfs/dbraw/zinc/05/40/76/597054076.db2.gz	CAXZCSFLPFLVEN-XBXGTLAGSA-N	-1	0	347.415	1.826	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2)cc1	ZINC000874404089	597062572	/nfs/dbraw/zinc/06/25/72/597062572.db2.gz	AUIDMKJSJAXUDY-MGPQQGTHSA-N	-1	0	347.415	1.684	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCO[C@H](C)[C@@H]2C)cc1	ZINC000872949130	597137060	/nfs/dbraw/zinc/13/70/60/597137060.db2.gz	JXDGDDZHXBXHLW-QWHCGFSZSA-N	-1	0	336.388	1.222	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CCO[C@H](C)C2)cc1	ZINC000872960831	597140833	/nfs/dbraw/zinc/14/08/33/597140833.db2.gz	PHLZLARCMOOPCI-CHWSQXEVSA-N	-1	0	336.388	1.270	20	10		EDCDRM
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCOCC(=O)[O-]	ZINC000874969294	597225605	/nfs/dbraw/zinc/22/56/05/597225605.db2.gz	BQGTZCRDOJORAO-UHFFFAOYSA-N	-1	0	344.367	1.738	20	10		EDCDRM
O=C1N[C@H](c2cc([N+](=O)[O-])ccc2[O-])N2Cc3ccccc3C[C@@H]12	ZINC000877866050	597561325	/nfs/dbraw/zinc/56/13/25/597561325.db2.gz	CRSLAEVOEOFHBD-HOCLYGCPSA-N	-1	0	325.324	1.856	20	10		EDCDRM
CS(=O)(=O)N1CCN(Cc2cccc(Br)c2[O-])CC1	ZINC000134030414	598036496	/nfs/dbraw/zinc/03/64/96/598036496.db2.gz	SFORDQWSODKYCC-UHFFFAOYSA-N	-1	0	349.250	1.232	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])cc1	ZINC000739616361	603385176	/nfs/dbraw/zinc/38/51/76/603385176.db2.gz	AVOQJDHHBAXIND-OAHLLOKOSA-N	-1	0	335.404	1.528	20	10		EDCDRM
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(O)cc1	ZINC000917716154	697063480	/nfs/dbraw/zinc/06/34/80/697063480.db2.gz	RKKCSNAFTQJUCA-UHFFFAOYSA-N	-1	0	325.346	1.401	20	10		EDCDRM
Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000280066005	443663076	/nfs/dbraw/zinc/66/30/76/443663076.db2.gz	IZPDYBXJOOXPBY-UHFFFAOYSA-N	-1	0	332.385	1.804	20	10		EDCDRM
O=C1CO[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2N1	ZINC000370706201	446395782	/nfs/dbraw/zinc/39/57/82/446395782.db2.gz	AZIFFARTPJRUNY-NEPJUHHUSA-N	-1	0	331.199	1.788	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)CN2CCCN(C(=O)[O-])CC2)cc1	ZINC000739617291	579226859	/nfs/dbraw/zinc/22/68/59/579226859.db2.gz	GNMUTWZXOWBGMN-UHFFFAOYSA-N	-1	0	334.420	1.055	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCN2C(=O)[O-])c1	ZINC000739926104	579268772	/nfs/dbraw/zinc/26/87/72/579268772.db2.gz	ZCXONSDKQRVTLR-MNOVXSKESA-N	-1	0	337.376	1.903	20	10		EDCDRM
Cc1ncc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)s1	ZINC000754746176	579910726	/nfs/dbraw/zinc/91/07/26/579910726.db2.gz	WMYNVXXDVMJYNE-UHFFFAOYSA-N	-1	0	347.443	1.624	20	10		EDCDRM
Cn1c2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc2oc1=O	ZINC000765077616	580134665	/nfs/dbraw/zinc/13/46/65/580134665.db2.gz	JHTNYPQORFHULD-UHFFFAOYSA-N	-1	0	346.324	1.469	20	10		EDCDRM
C[C@H](NC(=O)N(C)[C@@H](C)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000797714528	580979495	/nfs/dbraw/zinc/97/94/95/580979495.db2.gz	JPUVZGCWBCVDBC-STQMWFEESA-N	-1	0	335.404	1.699	20	10		EDCDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1	ZINC000901935141	591869470	/nfs/dbraw/zinc/86/94/70/591869470.db2.gz	WLOAGFYOHZPWBH-CVEARBPZSA-N	-1	0	332.400	1.925	20	10		EDCDRM
Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])c(C)n1-c1cccc(Cl)c1	ZINC000911254903	592976088	/nfs/dbraw/zinc/97/60/88/592976088.db2.gz	HMBPATZSBIGLGL-AWEZNQCLSA-N	-1	0	336.775	1.923	20	10		EDCDRM
C[C@@H]1OCC[C@H]1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360016	593006034	/nfs/dbraw/zinc/00/60/34/593006034.db2.gz	KXJLFWNQVZHMES-JOYOIKCWSA-N	-1	0	327.764	1.884	20	10		EDCDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1COCCO1	ZINC000804969170	593322321	/nfs/dbraw/zinc/32/23/21/593322321.db2.gz	DTMQOAIMUOQMMG-JTQLQIEISA-N	-1	0	335.187	1.914	20	10		EDCDRM
CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000816511702	593528750	/nfs/dbraw/zinc/52/87/50/593528750.db2.gz	IJCJYMIHLBYBGF-SNVBAGLBSA-N	-1	0	336.816	1.698	20	10		EDCDRM
C[C@H](CN(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-]	ZINC000817107234	593570686	/nfs/dbraw/zinc/57/06/86/593570686.db2.gz	AILFSNXFNZBFGU-CYBMUJFWSA-N	-1	0	347.415	1.082	20	10		EDCDRM
C[C@@H](NC(=O)C(=O)NCCCCC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000817115562	593572311	/nfs/dbraw/zinc/57/23/11/593572311.db2.gz	MPSOHLYIGZMYFF-GFCCVEGCSA-N	-1	0	335.404	1.301	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCC(=O)[O-]	ZINC000818473542	593698963	/nfs/dbraw/zinc/69/89/63/593698963.db2.gz	RTFKSLPEPQSSTD-UHFFFAOYSA-N	-1	0	335.404	1.529	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)c3cc(=O)n(C)[n-]3)CC2)cc1F	ZINC000829869723	594279679	/nfs/dbraw/zinc/27/96/79/594279679.db2.gz	XBDVGEQVRLVGPW-UHFFFAOYSA-N	-1	0	334.351	1.236	20	10		EDCDRM
CCc1nnc(-c2ccc(NC(=O)C3=S=C(C(=O)[O-])C=C3)cc2)o1	ZINC000830328976	594376278	/nfs/dbraw/zinc/37/62/78/594376278.db2.gz	YRHBMYOJIHINCY-UHFFFAOYSA-N	-1	0	343.364	1.970	20	10		EDCDRM
COC(=O)/C=C/c1ccc(N(C)[C@@H](C)CNC(=O)[O-])c([N+](=O)[O-])c1	ZINC000828647845	594471924	/nfs/dbraw/zinc/47/19/24/594471924.db2.gz	RYXNZRAHCRYVFP-STUBTGCMSA-N	-1	0	337.332	1.873	20	10		EDCDRM
CN(C)C(=O)CN(CC[NH+](C)C)Cc1c([O-])ccc(Cl)c1F	ZINC000827159199	594649277	/nfs/dbraw/zinc/64/92/77/594649277.db2.gz	ZKHFPEKAAIFOAB-UHFFFAOYSA-N	-1	0	331.819	1.637	20	10		EDCDRM
CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cccc(Cl)c3[O-])C[C@H]21	ZINC000827389252	594667761	/nfs/dbraw/zinc/66/77/61/594667761.db2.gz	MMESXJVBDSLIER-UHTWSYAYSA-N	-1	0	331.821	1.289	20	10		EDCDRM
COCCCOC1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000831700865	594694156	/nfs/dbraw/zinc/69/41/56/594694156.db2.gz	QGOFPSXBUKDPQQ-GQCTYLIASA-N	-1	0	336.344	1.934	20	10		EDCDRM
Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c(C)n1-c1ccccn1	ZINC000832863478	594781821	/nfs/dbraw/zinc/78/18/21/594781821.db2.gz	QNLPLHJTTLAOLG-QGZVFWFLSA-N	-1	0	329.356	1.463	20	10		EDCDRM
CC(C)[C@@H]1C(=O)NCCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833470728	594854043	/nfs/dbraw/zinc/85/40/43/594854043.db2.gz	LEIFNEGVCNOJNQ-CSPWOOARSA-N	-1	0	333.344	1.653	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1	ZINC000849349138	595509249	/nfs/dbraw/zinc/50/92/49/595509249.db2.gz	RRYGVWNHIOLCFR-LSYFEZSPSA-N	-1	0	343.343	1.811	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC[C@@H]2CCOC2)cc1	ZINC000853006491	595639806	/nfs/dbraw/zinc/63/98/06/595639806.db2.gz	HADZZGZTBKMKTL-CYBMUJFWSA-N	-1	0	336.388	1.129	20	10		EDCDRM
COCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccccn2)c1C	ZINC000111993948	595999916	/nfs/dbraw/zinc/99/99/16/595999916.db2.gz	REGDZRMHMKFAEZ-UHFFFAOYSA-N	-1	0	337.401	1.195	20	10		EDCDRM
O=C([O-])[C@]12COC[C@H]1C[N@H+](Cc1cccc(Br)c1[O-])C2	ZINC000854241292	596012468	/nfs/dbraw/zinc/01/24/68/596012468.db2.gz	LZXSPPVUSINSHN-QMTHXVAHSA-N	-1	0	342.189	1.688	20	10		EDCDRM
CCO[C@H](CS(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC1	ZINC000863406437	596572995	/nfs/dbraw/zinc/57/29/95/596572995.db2.gz	DIDQIIRQWSENIY-CYBMUJFWSA-N	-1	0	330.362	1.857	20	10		EDCDRM
CO[C@H](CS(=O)(=O)[N-]N=c1[nH]c2ccncc2s1)C1CC1	ZINC000872384732	596896542	/nfs/dbraw/zinc/89/65/42/596896542.db2.gz	MUZDGGPSDFGTBY-SNVBAGLBSA-N	-1	0	328.419	1.363	20	10		EDCDRM
COc1ccc(N(C)CCN(C)Cc2cc(C(=O)[O-])nn2C)cc1	ZINC000874041860	596905746	/nfs/dbraw/zinc/90/57/46/596905746.db2.gz	KHXRUFGTRRZZQU-UHFFFAOYSA-N	-1	0	332.404	1.695	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)NCCOCC(=O)[O-])cc1F	ZINC000874391222	597055283	/nfs/dbraw/zinc/05/52/83/597055283.db2.gz	IPZWXVUBVQEJKE-UHFFFAOYSA-N	-1	0	341.383	1.572	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)cc1	ZINC000874404087	597062570	/nfs/dbraw/zinc/06/25/70/597062570.db2.gz	AUIDMKJSJAXUDY-MELADBBJSA-N	-1	0	347.415	1.684	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1	ZINC000872983296	597150504	/nfs/dbraw/zinc/15/05/04/597150504.db2.gz	DIOGUDDSEMLKFP-ZIAGYGMSSA-N	-1	0	348.399	1.081	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCC(C)(C)F)cc1	ZINC000872984930	597150935	/nfs/dbraw/zinc/15/09/35/597150935.db2.gz	VMYOEXDPUMRAQU-UHFFFAOYSA-N	-1	0	326.368	1.841	20	10		EDCDRM
O=C([O-])Cc1ccccc1NC(=O)C(=O)NCc1ccccc1O	ZINC000819592332	601470464	/nfs/dbraw/zinc/47/04/64/601470464.db2.gz	OXSRCRPXYHFWAG-UHFFFAOYSA-N	-1	0	328.324	1.274	20	10		EDCDRM
O=C1OC[C@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CCN12	ZINC000378345937	447420649	/nfs/dbraw/zinc/42/06/49/447420649.db2.gz	NZXBHACEHCECHO-SNVBAGLBSA-N	-1	0	327.724	1.590	20	10		EDCDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)[C@H]1Cc2cc(F)ccc2O1	ZINC000366815758	446366557	/nfs/dbraw/zinc/36/65/57/446366557.db2.gz	QRXVJMPFALIVPF-CMPLNLGQSA-N	-1	0	341.360	1.657	20	10		EDCDRM
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCNC(=O)[O-])cc1	ZINC000737378721	579081544	/nfs/dbraw/zinc/08/15/44/579081544.db2.gz	UYILEYUAVYVXQT-INIZCTEOSA-N	-1	0	349.431	1.918	20	10		EDCDRM
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](CNC(=O)[O-])C2CC2)c1	ZINC000739925268	579268762	/nfs/dbraw/zinc/26/87/62/579268762.db2.gz	KGPBYGIPYBGMIY-TVQRCGJNSA-N	-1	0	337.376	1.807	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)c2csc(CNC(=O)[O-])n2)c1	ZINC000739932417	579269682	/nfs/dbraw/zinc/26/96/82/579269682.db2.gz	RWLLDYBRZYNDLQ-UHFFFAOYSA-N	-1	0	337.357	1.555	20	10		EDCDRM
O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1	ZINC000758169356	579976092	/nfs/dbraw/zinc/97/60/92/579976092.db2.gz	QATBTBOOUPRHIH-UHFFFAOYSA-N	-1	0	325.317	1.959	20	10		EDCDRM
O=C1CCc2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc2N1	ZINC000765039974	580133710	/nfs/dbraw/zinc/13/37/10/580133710.db2.gz	VKYOBLFMXCDMRJ-UHFFFAOYSA-N	-1	0	344.352	1.908	20	10		EDCDRM
NC(=O)c1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775289461	580387393	/nfs/dbraw/zinc/38/73/93/580387393.db2.gz	VBKASNIBOKJAMZ-UHFFFAOYSA-N	-1	0	337.313	1.200	20	10		EDCDRM
COc1ccc(CNC(=O)c2n[n-]c3ccccc3c2=O)c(O)c1	ZINC000794379242	580889637	/nfs/dbraw/zinc/88/96/37/580889637.db2.gz	JZAQCQMMTUEGCY-UHFFFAOYSA-N	-1	0	325.324	1.980	20	10		EDCDRM
NC(=O)N1CCCN(Cc2cc(Br)cc(F)c2[O-])CC1	ZINC000893985626	591160373	/nfs/dbraw/zinc/16/03/73/591160373.db2.gz	CGXPLPZXOAQCSF-UHFFFAOYSA-N	-1	0	346.200	1.880	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)CC2)cc1	ZINC000901917897	591860007	/nfs/dbraw/zinc/86/00/07/591860007.db2.gz	NIKHAAYRVWNDFX-ACJLOTCBSA-N	-1	0	332.400	1.845	20	10		EDCDRM
CCn1cnc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)c1	ZINC000911359641	593005437	/nfs/dbraw/zinc/00/54/37/593005437.db2.gz	DXEOHHJFOJDIQJ-UHFFFAOYSA-N	-1	0	337.763	1.989	20	10		EDCDRM
C[C@H]1OCC[C@@H]1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360017	593006029	/nfs/dbraw/zinc/00/60/29/593006029.db2.gz	KXJLFWNQVZHMES-SKDRFNHKSA-N	-1	0	327.764	1.884	20	10		EDCDRM
CCn1[n-]nnc1=NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	ZINC000888343298	593031771	/nfs/dbraw/zinc/03/17/71/593031771.db2.gz	BZPCZPMFSZTKJF-UHFFFAOYSA-N	-1	0	329.408	1.377	20	10		EDCDRM
Cn1nccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807512993	593176555	/nfs/dbraw/zinc/17/65/55/593176555.db2.gz	FKXIYTLWAYOXKD-UHFFFAOYSA-N	-1	0	343.170	1.687	20	10		EDCDRM
Cn1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000807513712	593176599	/nfs/dbraw/zinc/17/65/99/593176599.db2.gz	UBVSFCMEZFWGBX-UHFFFAOYSA-N	-1	0	343.170	1.687	20	10		EDCDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cncnc1	ZINC000807513893	593176848	/nfs/dbraw/zinc/17/68/48/593176848.db2.gz	YESCBSRTKDUWFV-UHFFFAOYSA-N	-1	0	341.154	1.744	20	10		EDCDRM
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC000839920165	593213834	/nfs/dbraw/zinc/21/38/34/593213834.db2.gz	MEZUJRORQSYEFP-LBPRGKRZSA-N	-1	0	344.415	1.221	20	10		EDCDRM
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCCC(=O)[O-])cc1	ZINC000817113833	593571898	/nfs/dbraw/zinc/57/18/98/593571898.db2.gz	AAZSFKVXRQJDMN-UHFFFAOYSA-N	-1	0	349.431	1.472	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H](C(=O)[O-])C3)C2)cc1	ZINC000818625189	593708495	/nfs/dbraw/zinc/70/84/95/593708495.db2.gz	VSXGCXHGQIPIQY-ZIAGYGMSSA-N	-1	0	347.415	1.638	20	10		EDCDRM
CC(C)(CNC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000823960799	593895366	/nfs/dbraw/zinc/89/53/66/593895366.db2.gz	SIXYPOGZOXXOCY-UHFFFAOYSA-N	-1	0	335.404	1.433	20	10		EDCDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)[NH+](C)C	ZINC000821720653	593923393	/nfs/dbraw/zinc/92/33/93/593923393.db2.gz	QBFRXQZYAXBUHB-SNVBAGLBSA-N	-1	0	328.796	1.497	20	10		EDCDRM
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824346547	593990285	/nfs/dbraw/zinc/99/02/85/593990285.db2.gz	JNTVZXDVXCWTAS-INIZCTEOSA-N	-1	0	349.431	1.868	20	10		EDCDRM
CS[C@@H](C)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000829704543	594244345	/nfs/dbraw/zinc/24/43/45/594244345.db2.gz	RSGBHCSMRYLLHV-GXFFZTMASA-N	-1	0	325.434	1.929	20	10		EDCDRM
Cc1[nH]nc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1C	ZINC000829833729	594273013	/nfs/dbraw/zinc/27/30/13/594273013.db2.gz	MYNMXUIJTVNNKI-CQSZACIVSA-N	-1	0	345.403	1.831	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCOC2)NC(=O)[O-])cc1	ZINC000828063741	594333298	/nfs/dbraw/zinc/33/32/98/594333298.db2.gz	IEFAZJAQVTZTAA-DOMZBBRYSA-N	-1	0	335.404	1.604	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)CCn2cccn2)NC(=O)[O-])cc1	ZINC000828064122	594333675	/nfs/dbraw/zinc/33/36/75/594333675.db2.gz	LPVIJYARGRTQPL-HNNXBMFYSA-N	-1	0	345.403	1.464	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1F	ZINC000830639960	594445008	/nfs/dbraw/zinc/44/50/08/594445008.db2.gz	VEEPIVQUCDDJOV-LBPRGKRZSA-N	-1	0	339.367	1.277	20	10		EDCDRM
COC(=O)/C=C/c1ccc(N2C[C@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000831118488	594561404	/nfs/dbraw/zinc/56/14/04/594561404.db2.gz	AJYXOFJUMTUCJF-ACXIEZPESA-N	-1	0	334.328	1.938	20	10		EDCDRM
O=C([O-])NC1(CC(=O)NCc2ccc(N3CCOCC3)cc2)CCC1	ZINC000832207110	594735443	/nfs/dbraw/zinc/73/54/43/594735443.db2.gz	RIUMCGRGBHEWRO-UHFFFAOYSA-N	-1	0	347.415	1.720	20	10		EDCDRM
CC(=O)N1CC[C@@H](CN(C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000833389661	594837967	/nfs/dbraw/zinc/83/79/67/594837967.db2.gz	FAZWRPHXPUQLMH-SDQPKGBYSA-N	-1	0	347.371	1.997	20	10		EDCDRM
CN(Cc1cc(=O)n2ccccc2n1)c1ccc(OCC(=O)[O-])cc1	ZINC000833694620	594909004	/nfs/dbraw/zinc/90/90/04/594909004.db2.gz	PONWNXUQDQMTSZ-UHFFFAOYSA-N	-1	0	339.351	1.794	20	10		EDCDRM
O=C([O-])NC[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1	ZINC000834210508	595054903	/nfs/dbraw/zinc/05/49/03/595054903.db2.gz	QJLSUABDBGNDRE-ZDUSSCGKSA-N	-1	0	330.340	1.765	20	10		EDCDRM
COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)c1	ZINC000848558649	595405662	/nfs/dbraw/zinc/40/56/62/595405662.db2.gz	SFVFJQAPEDYKSW-HZMBPMFUSA-N	-1	0	346.387	1.999	20	10		EDCDRM
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCS(=O)(=O)C1	ZINC000845087755	595439181	/nfs/dbraw/zinc/43/91/81/595439181.db2.gz	HNVLYFKWNFIJLE-LLVKDONJSA-N	-1	0	332.809	1.422	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H](C)CC(F)F)cc1	ZINC000853010374	595640819	/nfs/dbraw/zinc/64/08/19/595640819.db2.gz	BCLARFRWOOVPCF-LLVKDONJSA-N	-1	0	344.358	1.994	20	10		EDCDRM
C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)cc1O	ZINC000858572956	595832305	/nfs/dbraw/zinc/83/23/05/595832305.db2.gz	YGZDXHFYUORPOC-VIFPVBQESA-N	-1	0	333.841	1.187	20	10		EDCDRM
CO[C@H](CS(=O)(=O)[N-]N=c1[nH]c2cccnc2s1)C(C)C	ZINC000857225864	596190826	/nfs/dbraw/zinc/19/08/26/596190826.db2.gz	VIKPKKRVYKCKNM-SNVBAGLBSA-N	-1	0	330.435	1.609	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccoc2C)cc1	ZINC000872916876	597122722	/nfs/dbraw/zinc/12/27/22/597122722.db2.gz	CBOSKHXPNWTRNJ-UHFFFAOYSA-N	-1	0	332.356	1.804	20	10		EDCDRM
COCC(COC)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000877588212	597539458	/nfs/dbraw/zinc/53/94/58/597539458.db2.gz	XIJDHKVJJMYIPO-UHFFFAOYSA-N	-1	0	330.375	1.449	20	10		EDCDRM
NC(=O)c1cccnc1N1CCC[N@H+](Cc2cccc(F)c2[O-])CC1	ZINC000378493717	447434698	/nfs/dbraw/zinc/43/46/98/447434698.db2.gz	JYMHTNFHZZHHHU-UHFFFAOYSA-N	-1	0	344.390	1.738	20	10		EDCDRM
C[C@@H](C[S@@](C)=O)NC(=O)NCc1cccc(Br)c1O	ZINC000277283417	443951897	/nfs/dbraw/zinc/95/18/97/443951897.db2.gz	BADHCZUABYWGHV-WPCRTTGESA-N	-1	0	349.250	1.721	20	10		EDCDRM
O=C(NC1CCN(C(=O)c2cccc(O)c2O)CC1)c1ccoc1	ZINC000363932815	445886370	/nfs/dbraw/zinc/88/63/70/445886370.db2.gz	RICVCHJLRSQCSW-UHFFFAOYSA-N	-1	0	330.340	1.725	20	10		EDCDRM
COCCCNC(=O)[C@@H](C)N1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739808884	579253931	/nfs/dbraw/zinc/25/39/31/579253931.db2.gz	YWUDOIVYTBDJDZ-CYBMUJFWSA-N	-1	0	349.431	1.748	20	10		EDCDRM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1	ZINC000749155135	579714445	/nfs/dbraw/zinc/71/44/45/579714445.db2.gz	TYUDWWDOXOVQPP-UHFFFAOYSA-N	-1	0	345.377	1.393	20	10		EDCDRM
COc1c([N-]S(=O)(=O)c2cccc3nonc32)cccc1C(N)=O	ZINC000782262212	580570008	/nfs/dbraw/zinc/57/00/08/580570008.db2.gz	ZTFZUDJDELETQY-UHFFFAOYSA-N	-1	0	348.340	1.131	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)C(=O)[N-]OC2CCOCC2)cc1	ZINC000788938838	580733203	/nfs/dbraw/zinc/73/32/03/580733203.db2.gz	DYABEHGQMMDJBX-UHFFFAOYSA-N	-1	0	349.431	1.376	20	10		EDCDRM
O=S1(=O)CCN(Cc2cc(F)cc(F)c2[O-])[C@@H]2CCOC[C@@H]21	ZINC000894983720	591511621	/nfs/dbraw/zinc/51/16/21/591511621.db2.gz	GSNYCDCUIQQTEE-OLZOCXBDSA-N	-1	0	333.356	1.058	20	10		EDCDRM
CS(=O)(=O)C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCO1	ZINC000897595269	591574374	/nfs/dbraw/zinc/57/43/74/591574374.db2.gz	KPDCHNBUIQPSPL-NSHDSACASA-N	-1	0	337.800	1.430	20	10		EDCDRM
Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c(C)n1-c1ccccn1	ZINC000733723751	592953154	/nfs/dbraw/zinc/95/31/54/592953154.db2.gz	VDAZJDCNCYZQAT-ZDUSSCGKSA-N	-1	0	349.412	1.338	20	10		EDCDRM
O=C(Nc1ccc(N2CCOCC2)cn1)c1c(F)ccc(O)c1[O-]	ZINC000789952893	593162825	/nfs/dbraw/zinc/16/28/25/593162825.db2.gz	KCUXNTYREFCIRN-UHFFFAOYSA-N	-1	0	333.319	1.721	20	10		EDCDRM
CSCCO[N-]C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	ZINC000807675036	593189367	/nfs/dbraw/zinc/18/93/67/593189367.db2.gz	SZLABKRNZUXMLC-NSHDSACASA-N	-1	0	325.434	1.341	20	10		EDCDRM
Cn1c(=O)[nH]cc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1=O	ZINC000807836899	593202963	/nfs/dbraw/zinc/20/29/63/593202963.db2.gz	TYWRHHLIDZCPHU-UHFFFAOYSA-N	-1	0	344.154	1.428	20	10		EDCDRM
COCCCn1nccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000802705160	593271102	/nfs/dbraw/zinc/27/11/02/593271102.db2.gz	VNEKAXHUHPQESX-QINSGFPZSA-N	-1	0	326.356	1.381	20	10		EDCDRM
COC(=O)[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccn(C)n1	ZINC000816588954	593533629	/nfs/dbraw/zinc/53/36/29/593533629.db2.gz	GXFLQUXZSXWNQS-ZDUSSCGKSA-N	-1	0	327.743	1.922	20	10		EDCDRM
CON(C)C(=O)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000817799440	593634191	/nfs/dbraw/zinc/63/41/91/593634191.db2.gz	FZZNSJRBCZWCDN-UHFFFAOYSA-N	-1	0	336.175	1.518	20	10		EDCDRM
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000817900952	593647076	/nfs/dbraw/zinc/64/70/76/593647076.db2.gz	WWJZFXFYRCVYFW-CQSZACIVSA-N	-1	0	348.399	1.454	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)c3[nH]nc(C)c3[O-])C2)cc1	ZINC000819585363	593759788	/nfs/dbraw/zinc/75/97/88/593759788.db2.gz	DMTXTBSKSWRUGW-LBPRGKRZSA-N	-1	0	330.388	1.689	20	10		EDCDRM
O=S(=O)(c1cc(F)cc(F)c1[O-])N(CCO)c1cccc(F)c1	ZINC000821190613	593986744	/nfs/dbraw/zinc/98/67/44/593986744.db2.gz	CORRTSPQMYNKKH-UHFFFAOYSA-N	-1	0	347.314	1.997	20	10		EDCDRM
C[C@H](CN(C)C(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000824826352	594080794	/nfs/dbraw/zinc/08/07/94/594080794.db2.gz	ZWWDHVFAVQBXEA-CQSZACIVSA-N	-1	0	349.431	1.728	20	10		EDCDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)NCCCSc1nccs1	ZINC000824958646	594105570	/nfs/dbraw/zinc/10/55/70/594105570.db2.gz	CZLIUKSRTOCNDZ-VIFPVBQESA-N	-1	0	332.451	1.923	20	10		EDCDRM
CN(Cc1ccccc1O)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1	ZINC000825980491	594296847	/nfs/dbraw/zinc/29/68/47/594296847.db2.gz	BKPIAOITNVJFDE-UHFFFAOYSA-N	-1	0	327.304	1.512	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccn(C)n2)NC(=O)[O-])cc1	ZINC000828063343	594333315	/nfs/dbraw/zinc/33/33/15/594333315.db2.gz	CWUAAQNANUJGAJ-CQSZACIVSA-N	-1	0	331.376	1.225	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[O-])CC2)cc1F	ZINC000829424986	594611534	/nfs/dbraw/zinc/61/15/34/594611534.db2.gz	WTKXERYMSSNLSV-SNVBAGLBSA-N	-1	0	325.340	1.139	20	10		EDCDRM
CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])C[C@H]21	ZINC000827389630	594667706	/nfs/dbraw/zinc/66/77/06/594667706.db2.gz	PFADOQFHJUHWGT-FZZIBODNSA-N	-1	0	349.811	1.429	20	10		EDCDRM
COC(=O)CNC(=O)[C@@H]1CCCN1Cc1cc(Cl)c(F)cc1[O-]	ZINC000841892072	594975419	/nfs/dbraw/zinc/97/54/19/594975419.db2.gz	CYKHVCSQIZJEAI-LBPRGKRZSA-N	-1	0	344.770	1.438	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C(=O)[O-])C(C)C)C2)cc1	ZINC000843332131	595077208	/nfs/dbraw/zinc/07/72/08/595077208.db2.gz	JNTPGZDDMWSQCP-CJNGLKHVSA-N	-1	0	334.416	1.995	20	10		EDCDRM
C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1C(=O)[O-]	ZINC000843035178	595270000	/nfs/dbraw/zinc/27/00/00/595270000.db2.gz	HMKZMKDLZQVTBQ-BDAKNGLRSA-N	-1	0	335.316	1.473	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CC[C@@](O)(C(F)F)C2)c([N+](=O)[O-])c1	ZINC000844217037	595304549	/nfs/dbraw/zinc/30/45/49/595304549.db2.gz	YUQUPLCNICRXKU-XBPVQUQDSA-N	-1	0	328.271	1.899	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)C3(C(=O)[O-])CC=CC3)C2)cc1	ZINC000852954946	595627647	/nfs/dbraw/zinc/62/76/47/595627647.db2.gz	YHDYDPYEMVXISF-CYBMUJFWSA-N	-1	0	330.384	1.811	20	10		EDCDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	ZINC000874397972	597059598	/nfs/dbraw/zinc/05/95/98/597059598.db2.gz	CPQVMMZTRCMLBI-UGSOOPFHSA-N	-1	0	349.431	1.946	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2Cc1nc2c(c(=O)[nH]1)COCC2	ZINC000878319234	597595086	/nfs/dbraw/zinc/59/50/86/597595086.db2.gz	NAWNIRGVKSDPLX-UHFFFAOYSA-N	-1	0	342.399	1.720	20	10		EDCDRM
C[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000738959728	603231507	/nfs/dbraw/zinc/23/15/07/603231507.db2.gz	KPXGVGBQEDCAQS-UKRRQHHQSA-N	-1	0	347.415	1.700	20	10		EDCDRM
O=C1NCc2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc21	ZINC000058497299	441198259	/nfs/dbraw/zinc/19/82/59/441198259.db2.gz	ZNJBRURPZVAMPT-UHFFFAOYSA-N	-1	0	346.393	1.736	20	10		EDCDRM
CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000019095902	441253974	/nfs/dbraw/zinc/25/39/74/441253974.db2.gz	VCAVIXILIJEEEC-UHFFFAOYSA-N	-1	0	348.409	1.852	20	10		EDCDRM
Cn1ccc(N2CC[C@H]([NH2+]Cc3c([O-])ccc(Cl)c3F)C2=O)n1	ZINC000375451322	446809162	/nfs/dbraw/zinc/80/91/62/446809162.db2.gz	RASVQIFRFUJJEW-NSHDSACASA-N	-1	0	338.770	1.813	20	10		EDCDRM
O=C([O-])N1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000740447883	579348279	/nfs/dbraw/zinc/34/82/79/579348279.db2.gz	RMBWVHWQOMVXFQ-AWEZNQCLSA-N	-1	0	330.388	1.614	20	10		EDCDRM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(O)cc1C	ZINC000743260166	579474224	/nfs/dbraw/zinc/47/42/24/579474224.db2.gz	YKXFQEDHIPTZBI-UHFFFAOYSA-N	-1	0	325.346	1.320	20	10		EDCDRM
CC(C)Cn1[n-]c(CC(=O)NCc2ccc(N(C)C)cc2)cc1=O	ZINC000752517907	579860857	/nfs/dbraw/zinc/86/08/57/579860857.db2.gz	VNRPDDNNLWRAIT-UHFFFAOYSA-N	-1	0	330.432	1.757	20	10		EDCDRM
NC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1F	ZINC000765075059	580134531	/nfs/dbraw/zinc/13/45/31/580134531.db2.gz	BSKVCKZSENVHFY-UHFFFAOYSA-N	-1	0	336.304	1.262	20	10		EDCDRM
O=C(NCc1ccc(N2CCCC2)cc1)c1c[n-]n2c1nccc2=O	ZINC000773792089	580346342	/nfs/dbraw/zinc/34/63/42/580346342.db2.gz	QMDNKJITADTCRA-UHFFFAOYSA-N	-1	0	337.383	1.553	20	10		EDCDRM
O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)COC2	ZINC000776434802	580417182	/nfs/dbraw/zinc/41/71/82/580417182.db2.gz	NHYWVKMDHRIPAG-UHFFFAOYSA-N	-1	0	335.337	1.921	20	10		EDCDRM
O=C(CN1CCN(Cc2cc(F)cc(F)c2[O-])CC1)NC1CC1	ZINC000893910892	591135270	/nfs/dbraw/zinc/13/52/70/591135270.db2.gz	PSQXGSHQEQAYDW-UHFFFAOYSA-N	-1	0	325.359	1.067	20	10		EDCDRM
C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(Br)cc(F)c1[O-]	ZINC000895326674	591714523	/nfs/dbraw/zinc/71/45/23/591714523.db2.gz	ZNRSRBDHSQGEGU-GXFFZTMASA-N	-1	0	334.185	1.611	20	10		EDCDRM
CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)OC)cn1C	ZINC000901917483	591859533	/nfs/dbraw/zinc/85/95/33/591859533.db2.gz	SNVGVQALKGXSBI-UHFFFAOYSA-N	-1	0	338.385	1.881	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)cc1	ZINC000899850708	591961546	/nfs/dbraw/zinc/96/15/46/591961546.db2.gz	IXOFOBNPHIZNHQ-DAXOMENPSA-N	-1	0	332.400	1.891	20	10		EDCDRM
CO[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)[C@@H](C(=O)[O-])C1	ZINC000909042607	592711934	/nfs/dbraw/zinc/71/19/34/592711934.db2.gz	IDLUSZJKTUJAMF-HZPDHXFCSA-N	-1	0	349.431	1.835	20	10		EDCDRM
CO[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)[C@H](C(=O)[O-])C1	ZINC000909042606	592712187	/nfs/dbraw/zinc/71/21/87/592712187.db2.gz	IDLUSZJKTUJAMF-HOTGVXAUSA-N	-1	0	349.431	1.835	20	10		EDCDRM
Cc1nn(C)c(C)c1[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911486977	592928887	/nfs/dbraw/zinc/92/88/87/592928887.db2.gz	RJULZIJSBOSKDP-NSHDSACASA-N	-1	0	345.399	1.959	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2cccnc21	ZINC000911494664	592930877	/nfs/dbraw/zinc/93/08/77/592930877.db2.gz	VUAAJIBWNCVITP-CQSZACIVSA-N	-1	0	326.352	1.930	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)C34CC(C(=O)[O-])(C3)C4)CC2)cc1F	ZINC000911582400	592954599	/nfs/dbraw/zinc/95/45/99/592954599.db2.gz	PPKGUXWYCAPKLN-UHFFFAOYSA-N	-1	0	348.374	1.738	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@@H]3C(=O)[O-])CC2)cc1	ZINC000911335364	592995885	/nfs/dbraw/zinc/99/58/85/592995885.db2.gz	ZORKMODVYSXAJV-CVEARBPZSA-N	-1	0	332.400	1.891	20	10		EDCDRM
C[C@H]1CCO[C@@H]1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911359987	593005957	/nfs/dbraw/zinc/00/59/57/593005957.db2.gz	JLYKIHUHDVOGMI-XPTSAGLGSA-N	-1	0	327.764	1.884	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000817890443	593645682	/nfs/dbraw/zinc/64/56/82/593645682.db2.gz	UANHNIHVEOLQSO-CQSZACIVSA-N	-1	0	347.415	1.034	20	10		EDCDRM
COCn1nc(C)c(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1C	ZINC000818052729	593661599	/nfs/dbraw/zinc/66/15/99/593661599.db2.gz	GFMIHZXSEMZYSS-UHFFFAOYSA-N	-1	0	341.389	1.619	20	10		EDCDRM
CCC(CC)(CNC(=O)C(=O)N(C)Cc1ccccc1O)C(=O)[O-]	ZINC000818659626	593710857	/nfs/dbraw/zinc/71/08/57/593710857.db2.gz	YIBNMMQMMAQHQY-UHFFFAOYSA-N	-1	0	336.388	1.358	20	10		EDCDRM
Cc1cc(Br)c(O)c(CN2CCO[C@H](C(=O)[O-])C2)c1	ZINC000820949299	593927282	/nfs/dbraw/zinc/92/72/82/593927282.db2.gz	MPSIPWMHVBUKLI-NSHDSACASA-N	-1	0	330.178	1.749	20	10		EDCDRM
CCn1cc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cn1	ZINC000827701163	594260610	/nfs/dbraw/zinc/26/06/10/594260610.db2.gz	WKNLXNAFQRURDQ-HNNXBMFYSA-N	-1	0	345.403	1.708	20	10		EDCDRM
CN(Cc1ccccc1O)C(=O)CNc1ccc(-c2nn[nH]n2)cn1	ZINC000825980740	594296452	/nfs/dbraw/zinc/29/64/52/594296452.db2.gz	IJRBYBJULLISRN-UHFFFAOYSA-N	-1	0	339.359	1.038	20	10		EDCDRM
O=S1(=O)CC[C@]2(C1)CN(Cc1cc(Cl)cc(F)c1[O-])CCO2	ZINC000843425742	595107792	/nfs/dbraw/zinc/10/77/92/595107792.db2.gz	HNXRGMCUAPECRG-CQSZACIVSA-N	-1	0	349.811	1.574	20	10		EDCDRM
CC(C)(C)n1nnc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1	ZINC000848566199	595405999	/nfs/dbraw/zinc/40/59/99/595405999.db2.gz	YPKAVUHMUNKORV-UHFFFAOYSA-N	-1	0	340.771	1.985	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCC(C)(F)F)cc1	ZINC000853008112	595640189	/nfs/dbraw/zinc/64/01/89/595640189.db2.gz	JXWGJYJBVRQAMR-UHFFFAOYSA-N	-1	0	330.331	1.748	20	10		EDCDRM
O=C([O-])CC[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	ZINC000868343143	596792380	/nfs/dbraw/zinc/79/23/80/596792380.db2.gz	MSYHREYUFLTJGE-GFCCVEGCSA-N	-1	0	346.383	1.338	20	10		EDCDRM
COCC(=O)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000128679281	533060842	/nfs/dbraw/zinc/06/08/42/533060842.db2.gz	PLXBOFJLQTVFIC-UHFFFAOYSA-N	-1	0	343.767	1.244	20	10		EDCDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCc1ccc(O)c(O)c1	ZINC000277424682	443986474	/nfs/dbraw/zinc/98/64/74/443986474.db2.gz	VFGLVRXONSKRHC-UHFFFAOYSA-N	-1	0	334.294	1.214	20	10		EDCDRM
CCOCC[C@@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1O	ZINC000277771027	444036054	/nfs/dbraw/zinc/03/60/54/444036054.db2.gz	RFCCTJSTXQLHEK-CQSZACIVSA-N	-1	0	345.823	1.808	20	10		EDCDRM
O=C([O-])N[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000740586836	579364981	/nfs/dbraw/zinc/36/49/81/579364981.db2.gz	XKROKQSWLQJBAF-AWEZNQCLSA-N	-1	0	348.403	1.075	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N(C)CCCNC(=O)[O-])cc1F	ZINC000739677095	578618832	/nfs/dbraw/zinc/61/88/32/578618832.db2.gz	ZVDPQKGGDYJDDD-UHFFFAOYSA-N	-1	0	326.372	1.691	20	10		EDCDRM
Nc1nsc(N2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)n1	ZINC000775737824	580399100	/nfs/dbraw/zinc/39/91/00/580399100.db2.gz	SSHUKJIEJHYNGY-UHFFFAOYSA-N	-1	0	343.815	1.941	20	10		EDCDRM
C[C@H](NC(=O)N(CC(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000780477875	580523969	/nfs/dbraw/zinc/52/39/69/580523969.db2.gz	GFQPOYFTCCNQSA-ZDUSSCGKSA-N	-1	0	347.415	1.843	20	10		EDCDRM
COc1cncc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1	ZINC000799122319	581017245	/nfs/dbraw/zinc/01/72/45/581017245.db2.gz	COPZGGXVXGNXPZ-UHFFFAOYSA-N	-1	0	349.412	1.728	20	10		EDCDRM
O=C1NCCC2(CN(Cc3cc(Br)cc(F)c3[O-])C2)O1	ZINC000897749500	591642063	/nfs/dbraw/zinc/64/20/63/591642063.db2.gz	MGYFWBSTIJEGLH-UHFFFAOYSA-N	-1	0	345.168	1.978	20	10		EDCDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)O1	ZINC000901604824	592409311	/nfs/dbraw/zinc/40/93/11/592409311.db2.gz	CQDOZEDDCCYQSE-IMJJTQAJSA-N	-1	0	349.383	1.532	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cc1	ZINC000908759103	592601257	/nfs/dbraw/zinc/60/12/57/592601257.db2.gz	YUUBZYMCFAGNNH-GJZGRUSLSA-N	-1	0	335.404	1.574	20	10		EDCDRM
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000908847813	592640927	/nfs/dbraw/zinc/64/09/27/592640927.db2.gz	VGJRNHVASOSFFY-ZFWWWQNUSA-N	-1	0	335.379	1.993	20	10		EDCDRM
O=C([O-])[C@H](CF)NC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000908853063	592642538	/nfs/dbraw/zinc/64/25/38/592642538.db2.gz	XZIIKNDOIKWEQV-ZDUSSCGKSA-N	-1	0	341.408	1.462	20	10		EDCDRM
CO[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)[C@](C)(C(=O)[O-])C1	ZINC000909042579	592712247	/nfs/dbraw/zinc/71/22/47/592712247.db2.gz	HLYVXKNXZOSSJT-QAPCUYQASA-N	-1	0	349.431	1.835	20	10		EDCDRM
CCn1cc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cn1	ZINC000911359952	593005527	/nfs/dbraw/zinc/00/55/27/593005527.db2.gz	IQLAAKQNWFROHT-UHFFFAOYSA-N	-1	0	337.763	1.989	20	10		EDCDRM
Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000818772812	593718969	/nfs/dbraw/zinc/71/89/69/593718969.db2.gz	ZGSRMXNBSLAYKJ-MRVPVSSYSA-N	-1	0	325.277	1.215	20	10		EDCDRM
O=C([O-])[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000819263895	593747483	/nfs/dbraw/zinc/74/74/83/593747483.db2.gz	SMUMOJGFFIAOTB-CQSZACIVSA-N	-1	0	349.456	1.856	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)C2CCC(=O)CC2)NC(=O)[O-])cc1	ZINC000828057051	594331957	/nfs/dbraw/zinc/33/19/57/594331957.db2.gz	YRTXKFUCNQMJAR-INIZCTEOSA-N	-1	0	347.415	1.937	20	10		EDCDRM
COCCN(CC(=O)N1CCOc2cc(N(C)C)ccc21)C(=O)[O-]	ZINC000828970756	594540014	/nfs/dbraw/zinc/54/00/14/594540014.db2.gz	FJJZESMNQNMSOV-UHFFFAOYSA-N	-1	0	337.376	1.104	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000827052053	594631293	/nfs/dbraw/zinc/63/12/93/594631293.db2.gz	LTARGUKHJOYLTP-OAHLLOKOSA-N	-1	0	335.404	1.528	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000827156394	594648744	/nfs/dbraw/zinc/64/87/44/594648744.db2.gz	GMQLQOSMHFEVKF-MRXNPFEDSA-N	-1	0	349.431	1.870	20	10		EDCDRM
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000831708544	594694649	/nfs/dbraw/zinc/69/46/49/594694649.db2.gz	JLYSBNPIKXKSDR-RISCZKNCSA-N	-1	0	334.372	1.000	20	10		EDCDRM
O=C([O-])C1CCN(C(=O)COc2ccc(N3CCCC3)cc2)CC1	ZINC000833191349	594803501	/nfs/dbraw/zinc/80/35/01/594803501.db2.gz	QUEKPKFPQGLNHE-UHFFFAOYSA-N	-1	0	332.400	1.989	20	10		EDCDRM
CC[C@@](C)(CNC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000833838578	594945595	/nfs/dbraw/zinc/94/55/95/594945595.db2.gz	QLXBVEYGTBQNNY-SFHVURJKSA-N	-1	0	349.431	1.823	20	10		EDCDRM
O=S1(=O)CC[C@@]2(C1)CN(Cc1cc(Cl)cc(F)c1[O-])CCO2	ZINC000843425741	595108069	/nfs/dbraw/zinc/10/80/69/595108069.db2.gz	HNXRGMCUAPECRG-AWEZNQCLSA-N	-1	0	349.811	1.574	20	10		EDCDRM
CN(C[C@H](O)COC[C@@H]1CCCO1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279853	595195832	/nfs/dbraw/zinc/19/58/32/595195832.db2.gz	OFFFLYXBUYALHO-HOCLYGCPSA-N	-1	0	339.388	1.143	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000844210105	595303135	/nfs/dbraw/zinc/30/31/35/595303135.db2.gz	OEJSOWORTFTCEA-OHVSUOQFSA-N	-1	0	333.344	1.213	20	10		EDCDRM
NC(=O)C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000862534776	596340960	/nfs/dbraw/zinc/34/09/60/596340960.db2.gz	GQBUYUFPQJZFNL-SNVBAGLBSA-N	-1	0	329.740	1.030	20	10		EDCDRM
COC(=O)c1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)oc1C	ZINC000207196278	596689723	/nfs/dbraw/zinc/68/97/23/596689723.db2.gz	FCQSMYOSLBDHES-RUDMXATFSA-N	-1	0	341.366	1.660	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000874424770	597071901	/nfs/dbraw/zinc/07/19/01/597071901.db2.gz	FRONOHUFCWYBDI-SHTZXODSSA-N	-1	0	347.415	1.528	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	ZINC000872880620	597109200	/nfs/dbraw/zinc/10/92/00/597109200.db2.gz	GTSPUDMIIVBWFJ-MGPQQGTHSA-N	-1	0	332.400	1.891	20	10		EDCDRM
CCN(CC(F)(F)F)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872945286	597135409	/nfs/dbraw/zinc/13/54/09/597135409.db2.gz	LCBZAPIUAOTITC-UHFFFAOYSA-N	-1	0	348.321	1.997	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC[C@@H]3OCC[C@@H]32)cc1	ZINC000872981002	597149272	/nfs/dbraw/zinc/14/92/72/597149272.db2.gz	OOEQHVYVMTXHMK-HOTGVXAUSA-N	-1	0	348.399	1.366	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2C[C@@H]3COC[C@]3(C)C2)cc1	ZINC000872983914	597150459	/nfs/dbraw/zinc/15/04/59/597150459.db2.gz	GMEIRSACEOTWRL-ACJLOTCBSA-N	-1	0	348.399	1.081	20	10		EDCDRM
O=S1(=O)CCN(Cc2ccc(F)c(F)c2[O-])[C@@H]2CCOC[C@H]21	ZINC000877585049	597538970	/nfs/dbraw/zinc/53/89/70/597538970.db2.gz	OLZXZHDXBKLRND-VXGBXAGGSA-N	-1	0	333.356	1.058	20	10		EDCDRM
C[C@H]1CN(C(=O)CN2CCCc3cc(CNC(=O)[O-])ccc32)CCO1	ZINC000739130299	602649576	/nfs/dbraw/zinc/64/95/76/602649576.db2.gz	CJEUBLJKENMACN-ZDUSSCGKSA-N	-1	0	347.415	1.454	20	10		EDCDRM
Nc1nsc(N2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)n1	ZINC000294308091	444112391	/nfs/dbraw/zinc/11/23/91/444112391.db2.gz	QIZAXVSHFCHMQQ-UHFFFAOYSA-N	-1	0	343.815	1.941	20	10		EDCDRM
Cn1cnc(-c2ccc(NC(=O)C3=S=C(C(=O)[O-])C=C3)cc2)n1	ZINC000432133696	446452533	/nfs/dbraw/zinc/45/25/33/446452533.db2.gz	OQNISWUMZZGYNK-UHFFFAOYSA-N	-1	0	328.353	1.153	20	10		EDCDRM
COc1ccc(-n2c(C)cc(C(=O)NC[C@H](OC)C(=O)[O-])c2C)cc1	ZINC000263062561	536552614	/nfs/dbraw/zinc/55/26/14/536552614.db2.gz	HXRDIIJTPRRKSJ-INIZCTEOSA-N	-1	0	346.383	1.932	20	10		EDCDRM
O=C([O-])N1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000740449953	579348654	/nfs/dbraw/zinc/34/86/54/579348654.db2.gz	CZHQTTHRRZJKAQ-AWEZNQCLSA-N	-1	0	348.403	1.075	20	10		EDCDRM
COC(=O)[C@@H]1COCCN1Cc1cccc(Br)c1[O-]	ZINC000769398923	580235878	/nfs/dbraw/zinc/23/58/78/580235878.db2.gz	NQTKCRKRYQPYAT-NSHDSACASA-N	-1	0	330.178	1.529	20	10		EDCDRM
C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(N(C)C)cc1	ZINC000775405517	580390219	/nfs/dbraw/zinc/39/02/19/580390219.db2.gz	SLHZKCXZKMDTOD-NSHDSACASA-N	-1	0	340.387	1.015	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cc1	ZINC000900287554	591972653	/nfs/dbraw/zinc/97/26/53/591972653.db2.gz	JTJHUCFCFKPZIQ-QGZVFWFLSA-N	-1	0	345.403	1.292	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)c(OC)c1	ZINC000902412361	591988601	/nfs/dbraw/zinc/98/86/01/591988601.db2.gz	KLHJNOCACIISLL-ZIAGYGMSSA-N	-1	0	348.399	1.463	20	10		EDCDRM
COCC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-]	ZINC000908847766	592641122	/nfs/dbraw/zinc/64/11/22/592641122.db2.gz	UHGMYMJURFRWJG-OAHLLOKOSA-N	-1	0	335.404	1.576	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000909042756	592712005	/nfs/dbraw/zinc/71/20/05/592712005.db2.gz	JGQYVOJEVGBQDN-INIZCTEOSA-N	-1	0	337.445	1.821	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C(=O)[O-])C3CC3)C2)cc1	ZINC000909130487	592737182	/nfs/dbraw/zinc/73/71/82/592737182.db2.gz	AGRUNMGQSHHFPQ-MLGOLLRUSA-N	-1	0	347.415	1.684	20	10		EDCDRM
CCCN(Cc1ccccc1O)C(=O)C[N@@H+]1CCC[C@H](C(=O)[O-])C1	ZINC000911322171	593000255	/nfs/dbraw/zinc/00/02/55/593000255.db2.gz	APQZPASTTJCZKI-HNNXBMFYSA-N	-1	0	334.416	1.927	20	10		EDCDRM
O=S1(=O)CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H]2CCOC[C@H]21	ZINC000839185665	593272540	/nfs/dbraw/zinc/27/25/40/593272540.db2.gz	FRGLUDRSBHFZRF-CHWSQXEVSA-N	-1	0	349.811	1.573	20	10		EDCDRM
CC(=O)NCC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](C)C(=O)[O-]	ZINC000819770191	593768002	/nfs/dbraw/zinc/76/80/02/593768002.db2.gz	JUINVMHBIHURBZ-QMMMGPOBSA-N	-1	0	332.759	1.596	20	10		EDCDRM
CC(C)(CNC(=O)[O-])NC(=O)NCCCSc1nccs1	ZINC000823986970	593902142	/nfs/dbraw/zinc/90/21/42/593902142.db2.gz	YPIVSLIIWOUXRE-UHFFFAOYSA-N	-1	0	332.451	1.971	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2CCO[C@@H]([C@H](C)NC(=O)[O-])C2)c1O	ZINC000823627073	594222816	/nfs/dbraw/zinc/22/28/16/594222816.db2.gz	DKMIOGGTXKOYAE-LKFCYVNXSA-N	-1	0	340.351	1.591	20	10		EDCDRM
Cc1cc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n(C)n1	ZINC000829945242	594298122	/nfs/dbraw/zinc/29/81/22/594298122.db2.gz	IWSJOYOURXABHC-CQSZACIVSA-N	-1	0	345.403	1.533	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)C2(C)CCOCC2)NC(=O)[O-])cc1	ZINC000828056762	594331775	/nfs/dbraw/zinc/33/17/75/594331775.db2.gz	VQAZSVPYBPYREK-OAHLLOKOSA-N	-1	0	349.431	1.994	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)C2=CCCCO2)NC(=O)[O-])cc1	ZINC000828056936	594332012	/nfs/dbraw/zinc/33/20/12/594332012.db2.gz	WUVAGDKJWPXRFK-CQSZACIVSA-N	-1	0	333.388	1.872	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)CC2(O)CCCC2)NC(=O)[O-])cc1	ZINC000828063315	594333270	/nfs/dbraw/zinc/33/32/70/594333270.db2.gz	CAVWNRUDXLOCEM-HNNXBMFYSA-N	-1	0	349.431	1.873	20	10		EDCDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000840914580	594827232	/nfs/dbraw/zinc/82/72/32/594827232.db2.gz	CEEGRPHSTWYEQS-UHFFFAOYSA-N	-1	0	331.781	1.726	20	10		EDCDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1	ZINC000833820886	594939130	/nfs/dbraw/zinc/93/91/30/594939130.db2.gz	VESZIJFQRZDXPZ-YOEHRIQHSA-N	-1	0	349.431	1.380	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CN(C(=O)[O-])C1	ZINC000833874289	594954586	/nfs/dbraw/zinc/95/45/86/594954586.db2.gz	GUQFZKYXXXQAHO-UHFFFAOYSA-N	-1	0	333.388	1.091	20	10		EDCDRM
O=C([O-])N[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1	ZINC000834148636	595029113	/nfs/dbraw/zinc/02/91/13/595029113.db2.gz	WTOZTWNXWDNSGT-MRXNPFEDSA-N	-1	0	344.415	1.908	20	10		EDCDRM
CC(C)(C(=O)[O-])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000843328704	595075320	/nfs/dbraw/zinc/07/53/20/595075320.db2.gz	SCXDGDCQYFPLJO-UHFFFAOYSA-N	-1	0	334.416	1.622	20	10		EDCDRM
O=C([O-])c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)nn1	ZINC000844208087	595302845	/nfs/dbraw/zinc/30/28/45/595302845.db2.gz	OTFLLBATXPDMNI-UHFFFAOYSA-N	-1	0	332.335	1.763	20	10		EDCDRM
CN(CC1(O)CCOCC1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000844214406	595304106	/nfs/dbraw/zinc/30/41/06/595304106.db2.gz	PWQCBUIYGGXCML-HWKANZROSA-N	-1	0	336.344	1.670	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CC[C@@](O)(C(F)F)C2)c([N+](=O)[O-])c1	ZINC000844217036	595304660	/nfs/dbraw/zinc/30/46/60/595304660.db2.gz	YUQUPLCNICRXKU-PMUGQKEBSA-N	-1	0	328.271	1.899	20	10		EDCDRM
COC1(CS(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCOCC1	ZINC000844660182	595369418	/nfs/dbraw/zinc/36/94/18/595369418.db2.gz	HXQYYTHHBCFGPY-UHFFFAOYSA-N	-1	0	346.361	1.238	20	10		EDCDRM
CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000848611941	595417808	/nfs/dbraw/zinc/41/78/08/595417808.db2.gz	UIJYYGQADZABFM-SWLSCSKDSA-N	-1	0	349.431	1.403	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C(=O)[O-])C3CC3)C2)cc1	ZINC000852944557	595622261	/nfs/dbraw/zinc/62/22/61/595622261.db2.gz	IOWDEOKIGLKWJH-LRDDRELGSA-N	-1	0	332.400	1.749	20	10		EDCDRM
CCn1cc(CNC(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)cn1	ZINC000853007548	595640070	/nfs/dbraw/zinc/64/00/70/595640070.db2.gz	BNEZJMMISQOCOO-UHFFFAOYSA-N	-1	0	346.387	1.119	20	10		EDCDRM
O=C([O-])CN1CC[C@@H](N2CCCc3cc(OC(F)F)ccc32)C1=O	ZINC000852726227	596233817	/nfs/dbraw/zinc/23/38/17/596233817.db2.gz	XRZOUPQZTNSTDL-CYBMUJFWSA-N	-1	0	340.326	1.726	20	10		EDCDRM
CCN(CC)c1ccc(CN(C)C(=O)NCCOCC(=O)[O-])cc1	ZINC000874409224	597065177	/nfs/dbraw/zinc/06/51/77/597065177.db2.gz	WTWKLRASHODPQD-UHFFFAOYSA-N	-1	0	337.420	1.775	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1	ZINC000872939730	597133417	/nfs/dbraw/zinc/13/34/17/597133417.db2.gz	NIVHZARZKKTWGQ-GASCZTMLSA-N	-1	0	332.400	1.701	20	10		EDCDRM
CCOc1ccc(N(CC2CC2)[C@@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC000873644049	597328364	/nfs/dbraw/zinc/32/83/64/597328364.db2.gz	SBVXCQNXDOELJT-MRXNPFEDSA-N	-1	0	332.400	1.987	20	10		EDCDRM
COCC(=O)N1CCN(Cc2cccc(Br)c2[O-])CC1	ZINC000128702549	598032231	/nfs/dbraw/zinc/03/22/31/598032231.db2.gz	BDVYDQQZVSDZGY-UHFFFAOYSA-N	-1	0	343.221	1.445	20	10		EDCDRM
CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000179596869	442480003	/nfs/dbraw/zinc/48/00/03/442480003.db2.gz	YTYTZMFDHHSJNN-NSHDSACASA-N	-1	0	348.808	1.963	20	10		EDCDRM
C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS(=O)(=O)C1	ZINC000192062613	442582685	/nfs/dbraw/zinc/58/26/85/442582685.db2.gz	QFNIBDIBNCWCOJ-SECBINFHSA-N	-1	0	348.808	1.820	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)C(=O)[N-]OCCSC)cc1	ZINC000284316771	443772348	/nfs/dbraw/zinc/77/23/48/443772348.db2.gz	WDJFUUOOWABBHM-UHFFFAOYSA-N	-1	0	339.461	1.560	20	10		EDCDRM
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277251891	443950843	/nfs/dbraw/zinc/95/08/43/443950843.db2.gz	DWOAHMNKKNGGLY-QMMMGPOBSA-N	-1	0	348.321	1.602	20	10		EDCDRM
CC(C)(C(N)=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775724074	580398488	/nfs/dbraw/zinc/39/84/88/580398488.db2.gz	CJVKGSUUAOTZJA-UHFFFAOYSA-N	-1	0	329.803	1.566	20	10		EDCDRM
O=C(NCc1cccc(Cl)c1O)NCC1CC2(C1)OCCO2	ZINC000896694965	591584234	/nfs/dbraw/zinc/58/42/34/591584234.db2.gz	KKFQXBYNSFIWSO-UHFFFAOYSA-N	-1	0	326.780	1.998	20	10		EDCDRM
C[C@]12CN(Cc3cc(F)cc(F)c3[O-])C[C@@]1(C)CS(=O)(=O)C2	ZINC000895473602	591770758	/nfs/dbraw/zinc/77/07/58/591770758.db2.gz	PGPIQAXPQXPJCT-GASCZTMLSA-N	-1	0	331.384	1.927	20	10		EDCDRM
O=C([O-])CCCN1C(=O)/C(=C\c2cnn(CCF)c2)SC1=S	ZINC000905015360	592368826	/nfs/dbraw/zinc/36/88/26/592368826.db2.gz	HVUNBCPDRIEGOD-UXBLZVDNSA-N	-1	0	343.405	1.919	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1F	ZINC000901755015	592459922	/nfs/dbraw/zinc/45/99/22/592459922.db2.gz	OLYLBFOLGUPHQJ-OLZOCXBDSA-N	-1	0	338.379	1.778	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C2)cc1	ZINC000909132843	592737920	/nfs/dbraw/zinc/73/79/20/592737920.db2.gz	ZLUQYLWVUYPDLL-CZUORRHYSA-N	-1	0	349.431	1.930	20	10		EDCDRM
Cc1cc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000910530485	592872544	/nfs/dbraw/zinc/87/25/44/592872544.db2.gz	PPRFGAABLDOXRZ-KRWDZBQOSA-N	-1	0	329.356	1.151	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)c1cnn2c1CCCC2	ZINC000911491301	592929849	/nfs/dbraw/zinc/92/98/49/592929849.db2.gz	NDESIGWOBWTCDR-UHFFFAOYSA-N	-1	0	329.356	1.652	20	10		EDCDRM
C[C@H]1C[C@H](C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)CO1	ZINC000911360402	593005852	/nfs/dbraw/zinc/00/58/52/593005852.db2.gz	RPVGCZFFEMWTCN-ONGXEEELSA-N	-1	0	327.764	1.884	20	10		EDCDRM
CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000736633006	593021795	/nfs/dbraw/zinc/02/17/95/593021795.db2.gz	ITAHEBKDCJJCSJ-BBRMVZONSA-N	-1	0	349.431	1.993	20	10		EDCDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000912531324	593103471	/nfs/dbraw/zinc/10/34/71/593103471.db2.gz	KBNGJMNXOZGWEZ-UHFFFAOYSA-N	-1	0	325.346	1.265	20	10		EDCDRM
Cn1cc(C[C@H](O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000807837902	593202929	/nfs/dbraw/zinc/20/29/29/593202929.db2.gz	FVGTZQLILDVXOV-LBPRGKRZSA-N	-1	0	344.198	1.652	20	10		EDCDRM
C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1ccc(N(C)C)cc1	ZINC000817114200	593572076	/nfs/dbraw/zinc/57/20/76/593572076.db2.gz	HXVPYNKTSRSRCP-NWDGAFQWSA-N	-1	0	335.404	1.109	20	10		EDCDRM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000818475486	593699104	/nfs/dbraw/zinc/69/91/04/593699104.db2.gz	JYKHHCRNCLJFTK-UHFFFAOYSA-N	-1	0	342.351	1.616	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCCO2)NC(=O)[O-])cc1	ZINC000828055110	594331435	/nfs/dbraw/zinc/33/14/35/594331435.db2.gz	DECVZKYBGIZQQM-WMLDXEAASA-N	-1	0	335.404	1.747	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cncc(O)c2)NC(=O)[O-])cc1	ZINC000828064762	594333584	/nfs/dbraw/zinc/33/35/84/594333584.db2.gz	XJLUBLKXZVAHAC-OAHLLOKOSA-N	-1	0	344.371	1.592	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CN(C)[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000828354950	594399252	/nfs/dbraw/zinc/39/92/52/594399252.db2.gz	GFHAGCBTBLUMBV-MRXNPFEDSA-N	-1	0	348.447	1.395	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[O-])CC2)cc1F	ZINC000829423189	594611295	/nfs/dbraw/zinc/61/12/95/594611295.db2.gz	DKCYMGLGUPPDTM-UHFFFAOYSA-N	-1	0	339.367	1.529	20	10		EDCDRM
CN(C[C@@H](O)COCc1ccco1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279794	595195512	/nfs/dbraw/zinc/19/55/12/595195512.db2.gz	LBRANLXCEIIZEN-CQSZACIVSA-N	-1	0	335.356	1.757	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1	ZINC000844211525	595303409	/nfs/dbraw/zinc/30/34/09/595303409.db2.gz	COSKBWSKDCRRPX-DTRQGZQOSA-N	-1	0	329.316	1.736	20	10		EDCDRM
COCCO[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000844214409	595303942	/nfs/dbraw/zinc/30/39/42/595303942.db2.gz	PXNYSHYBHKLECP-HSBHDXMMSA-N	-1	0	336.344	1.934	20	10		EDCDRM
CO[C@@](C)(C(=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852950515	595625673	/nfs/dbraw/zinc/62/56/73/595625673.db2.gz	IRVBEAPIQVAGKK-SJKOYZFVSA-N	-1	0	336.388	1.190	20	10		EDCDRM
COC(=O)CN(CC(=O)OC)Cc1c(O)cccc1Br	ZINC000862227533	596280704	/nfs/dbraw/zinc/28/07/04/596280704.db2.gz	DAKLRGYXJUYVTR-UHFFFAOYSA-N	-1	0	346.177	1.303	20	10		EDCDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000738931267	602624046	/nfs/dbraw/zinc/62/40/46/602624046.db2.gz	OZQXSLXKYUSDID-JTQLQIEISA-N	-1	0	326.372	1.689	20	10		EDCDRM
COC(=O)C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000271196002	443495091	/nfs/dbraw/zinc/49/50/91/443495091.db2.gz	RIFGYWYQRRBTOR-LLVKDONJSA-N	-1	0	344.751	1.718	20	10		EDCDRM
CCCN(CC(=O)[O-])CC(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000273418442	443571640	/nfs/dbraw/zinc/57/16/40/443571640.db2.gz	OFRJGGWDSVNPQA-UHFFFAOYSA-N	-1	0	349.431	1.140	20	10		EDCDRM
O=C([O-])c1cc(NS(=O)(=O)CCC2CCOCC2)ccc1O	ZINC000292337383	443790803	/nfs/dbraw/zinc/79/08/03/443790803.db2.gz	DAGXDJRYRASYFN-UHFFFAOYSA-N	-1	0	329.374	1.649	20	10		EDCDRM
CC(C)n1cc(/C=C/c2nc3ccccc3c(=O)n2CC(=O)[O-])nn1	ZINC000672775749	486797094	/nfs/dbraw/zinc/79/70/94/486797094.db2.gz	YNXGQCNTQMXAMR-BQYQJAHWSA-N	-1	0	339.355	1.824	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)NC2CCN(C(=O)[O-])CC2)cc1F	ZINC000737379269	579081570	/nfs/dbraw/zinc/08/15/70/579081570.db2.gz	VXYHLWFNMCLRAT-UHFFFAOYSA-N	-1	0	338.383	1.833	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])cc1	ZINC000739412561	579202150	/nfs/dbraw/zinc/20/21/50/579202150.db2.gz	BGHLMFLKQBOHKU-OAHLLOKOSA-N	-1	0	335.404	1.528	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000740076814	579287599	/nfs/dbraw/zinc/28/75/99/579287599.db2.gz	DOTBTFXRWGWRIQ-OAHLLOKOSA-N	-1	0	334.420	1.906	20	10		EDCDRM
CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccc2c(c1)OCO2	ZINC000756654601	579954290	/nfs/dbraw/zinc/95/42/90/579954290.db2.gz	JJRRHSROEIGLGC-UHFFFAOYSA-N	-1	0	345.380	1.874	20	10		EDCDRM
CCN(C)c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cn1	ZINC000790102013	580762252	/nfs/dbraw/zinc/76/22/52/580762252.db2.gz	WMOOFJHIKMNQRR-UXBLZVDNSA-N	-1	0	337.426	1.824	20	10		EDCDRM
COc1ccc(Cl)cc1NC(=S)NNc1nnc(C)c(=O)[n-]1	ZINC000792667903	580824716	/nfs/dbraw/zinc/82/47/16/580824716.db2.gz	DDPYVGHQNASBHY-UHFFFAOYSA-N	-1	0	340.796	1.861	20	10		EDCDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cn1C	ZINC000797819384	580981684	/nfs/dbraw/zinc/98/16/84/580981684.db2.gz	HQEDTIXVYRQXTA-UHFFFAOYSA-N	-1	0	340.357	1.327	20	10		EDCDRM
O=C(NCc1cc(Br)ccc1O)[C@H]1CCNC(=O)C1	ZINC000804739767	590757110	/nfs/dbraw/zinc/75/71/10/590757110.db2.gz	RTKQFEWUISIDAJ-QMMMGPOBSA-N	-1	0	327.178	1.297	20	10		EDCDRM
CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1ccc(F)c(F)c1[O-]	ZINC000895199654	591653739	/nfs/dbraw/zinc/65/37/39/591653739.db2.gz	MWCVGYRAFMPOOL-NSHDSACASA-N	-1	0	332.372	1.889	20	10		EDCDRM
C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000901949309	591873348	/nfs/dbraw/zinc/87/33/48/591873348.db2.gz	FYZMDMZEIDUEJS-APHBMKBZSA-N	-1	0	332.400	1.811	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@H]3C(=O)[O-])C2)cc1	ZINC000909130868	592737473	/nfs/dbraw/zinc/73/74/73/592737473.db2.gz	FKPCWMCIBIEYMG-CJNGLKHVSA-N	-1	0	347.415	1.780	20	10		EDCDRM
COc1ccc(N2CCN(c3ncc(C(=O)[O-])cn3)CC2)c(OC)c1	ZINC000910339988	592837565	/nfs/dbraw/zinc/83/75/65/592837565.db2.gz	NBIINOSWVFMSSG-UHFFFAOYSA-N	-1	0	344.371	1.519	20	10		EDCDRM
CC(C)[C@H](O)CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360240	593006008	/nfs/dbraw/zinc/00/60/08/593006008.db2.gz	PWBKCBKDCGZNCK-CYBMUJFWSA-N	-1	0	329.780	1.866	20	10		EDCDRM
CN1CC2(CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)OC1=O	ZINC000817413957	593603508	/nfs/dbraw/zinc/60/35/08/593603508.db2.gz	NOKZVYDARMCHGV-UHFFFAOYSA-N	-1	0	327.724	1.590	20	10		EDCDRM
C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc(C(F)(F)F)c1[O-]	ZINC000815627670	593644803	/nfs/dbraw/zinc/64/48/03/593644803.db2.gz	GIDAUEKTHGZQGH-SECBINFHSA-N	-1	0	340.367	1.953	20	10		EDCDRM
CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000817900951	593647098	/nfs/dbraw/zinc/64/70/98/593647098.db2.gz	WWJZFXFYRCVYFW-AWEZNQCLSA-N	-1	0	348.399	1.454	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)Cc2cccnc2)NC(=O)[O-])cc1	ZINC000828063748	594333099	/nfs/dbraw/zinc/33/30/99/594333099.db2.gz	IFIPZNXYORMNCC-INIZCTEOSA-N	-1	0	342.399	1.815	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccc[nH]c2=O)NC(=O)[O-])cc1	ZINC000828063203	594333326	/nfs/dbraw/zinc/33/33/26/594333326.db2.gz	BTIDNOBTJRVNQC-AWEZNQCLSA-N	-1	0	344.371	1.592	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](N(C)C(=O)[O-])C2)cc1	ZINC000828355541	594399839	/nfs/dbraw/zinc/39/98/39/594399839.db2.gz	MTDJPPPRMJKMBY-MRXNPFEDSA-N	-1	0	348.447	1.395	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c1	ZINC000829483146	594623272	/nfs/dbraw/zinc/62/32/72/594623272.db2.gz	DQFOWLFDSDUSJI-RNCFNFMXSA-N	-1	0	338.360	1.520	20	10		EDCDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCc1ccc(N)cc1	ZINC000832658891	594767255	/nfs/dbraw/zinc/76/72/55/594767255.db2.gz	GITZXOMGIQDUCQ-LBPRGKRZSA-N	-1	0	331.338	1.631	20	10		EDCDRM
O=C([O-])NCc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1	ZINC000832697817	594769812	/nfs/dbraw/zinc/76/98/12/594769812.db2.gz	OEWYMXDLTJNNIZ-UHFFFAOYSA-N	-1	0	330.340	1.838	20	10		EDCDRM
COC(=O)CNC(=O)[C@@H]1CCCN1Cc1c([O-])ccc(Cl)c1F	ZINC000841892726	594975388	/nfs/dbraw/zinc/97/53/88/594975388.db2.gz	SSWCPGYNQOJHSS-NSHDSACASA-N	-1	0	344.770	1.438	20	10		EDCDRM
O=S1(=O)CC[C@]2(C1)CN(Cc1cccc(Cl)c1[O-])CCO2	ZINC000843426503	595107816	/nfs/dbraw/zinc/10/78/16/595107816.db2.gz	XKUKWJCUIIBCSB-CQSZACIVSA-N	-1	0	331.821	1.435	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C[C@@H](OC)C(C)C	ZINC000842590341	595134193	/nfs/dbraw/zinc/13/41/93/595134193.db2.gz	XSSJCRCJSGUYFF-CYBMUJFWSA-N	-1	0	331.390	1.592	20	10		EDCDRM
CCc1nc(CN(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cs1	ZINC000846243007	595184595	/nfs/dbraw/zinc/18/45/95/595184595.db2.gz	YTERUSSFWGHGTD-UHFFFAOYSA-N	-1	0	347.400	1.784	20	10		EDCDRM
CN(C[C@@H](O)COC[C@H]1CCCO1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279851	595195883	/nfs/dbraw/zinc/19/58/83/595195883.db2.gz	OFFFLYXBUYALHO-GDBMZVCRSA-N	-1	0	339.388	1.143	20	10		EDCDRM
COC[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1	ZINC000844212037	595303271	/nfs/dbraw/zinc/30/32/71/595303271.db2.gz	OVNPZIUTFCLHQU-RKLVJPFCSA-N	-1	0	336.344	1.933	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H]2CCCS2)cc1	ZINC000853005150	595639016	/nfs/dbraw/zinc/63/90/16/595639016.db2.gz	GPVINNXDHVZOLF-CQSZACIVSA-N	-1	0	338.429	1.598	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC2CCOCC2)cc1	ZINC000872971889	597145776	/nfs/dbraw/zinc/14/57/76/597145776.db2.gz	VSCWJRUEOIXUKW-UHFFFAOYSA-N	-1	0	336.388	1.129	20	10		EDCDRM
COC[C@@H](NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1)C(C)C	ZINC000872989800	597152627	/nfs/dbraw/zinc/15/26/27/597152627.db2.gz	FJJDYXWVEWMXOW-OAHLLOKOSA-N	-1	0	338.404	1.373	20	10		EDCDRM
C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000739152178	602755396	/nfs/dbraw/zinc/75/53/96/602755396.db2.gz	IECXLZIPSMOGKK-CYBMUJFWSA-N	-1	0	346.431	1.963	20	10		EDCDRM
O=S(=O)(C1CC1)N1CCN(Cc2cccc(Cl)c2[O-])CC1	ZINC000529638271	448912969	/nfs/dbraw/zinc/91/29/69/448912969.db2.gz	AGIPAYJUFJOFKA-UHFFFAOYSA-N	-1	0	330.837	1.655	20	10		EDCDRM
O=C([O-])N1CCOC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000740447866	579348313	/nfs/dbraw/zinc/34/83/13/579348313.db2.gz	RAZMTMUZXRLUCI-OAHLLOKOSA-N	-1	0	333.388	1.282	20	10		EDCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CC(=O)NC(=O)NC1CC1	ZINC000740675086	579377014	/nfs/dbraw/zinc/37/70/14/579377014.db2.gz	GOCKCNWZZBRKHN-UHFFFAOYSA-N	-1	0	346.387	1.195	20	10		EDCDRM
CC[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000739531603	579215683	/nfs/dbraw/zinc/21/56/83/579215683.db2.gz	ZTOYWFMFHUJTCM-WFASDCNBSA-N	-1	0	335.404	1.747	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)NC[C@H]2CCCN2C(=O)[O-])cc1F	ZINC000739617775	579227017	/nfs/dbraw/zinc/22/70/17/579227017.db2.gz	JCKSVFWAPJRTLF-GFCCVEGCSA-N	-1	0	338.383	1.833	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](CNC(=O)[O-])C2CC2)c1	ZINC000739925266	579268766	/nfs/dbraw/zinc/26/87/66/579268766.db2.gz	KGPBYGIPYBGMIY-NOZJJQNGSA-N	-1	0	337.376	1.807	20	10		EDCDRM
O=C1COc2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc2N1	ZINC000765050061	580134047	/nfs/dbraw/zinc/13/40/47/580134047.db2.gz	DDMBEPNVJVMGLA-UHFFFAOYSA-N	-1	0	346.324	1.355	20	10		EDCDRM
O=C1N=C(N2CCOCC2)S/C1=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000772797946	580320967	/nfs/dbraw/zinc/32/09/67/580320967.db2.gz	RLYUIHOEHPXRIU-XYOKQWHBSA-N	-1	0	335.341	1.603	20	10		EDCDRM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cn1C	ZINC000776751905	580427788	/nfs/dbraw/zinc/42/77/88/580427788.db2.gz	XLHVAAFBUKOJIU-UHFFFAOYSA-N	-1	0	343.792	1.545	20	10		EDCDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC000790410796	580768975	/nfs/dbraw/zinc/76/89/75/580768975.db2.gz	COIQQALFGRXCQE-UHFFFAOYSA-N	-1	0	336.369	1.691	20	10		EDCDRM
O=C(NCc1cnc2n1CCOC2)c1cc2cc(O)c(O)cc2s1	ZINC000890848594	590810491	/nfs/dbraw/zinc/81/04/91/590810491.db2.gz	PKNXVSODNQYUAG-UHFFFAOYSA-N	-1	0	345.380	1.969	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)CC2)cc1F	ZINC000901919845	591861372	/nfs/dbraw/zinc/86/13/72/591861372.db2.gz	GGLVHDAKRGDFJY-DIFFPNOSSA-N	-1	0	336.363	1.594	20	10		EDCDRM
O=S1(=O)CCN(Cc2cccc(Cl)c2[O-])[C@H]2CCOC[C@H]21	ZINC000839185396	593272506	/nfs/dbraw/zinc/27/25/06/593272506.db2.gz	BNRRDBNGTHUMLZ-QWHCGFSZSA-N	-1	0	331.821	1.434	20	10		EDCDRM
O=C1COc2c([N-]S(=O)(=O)c3cccc4nonc43)cccc2N1	ZINC000811705124	593476484	/nfs/dbraw/zinc/47/64/84/593476484.db2.gz	IJLNXZKIBVLIOI-UHFFFAOYSA-N	-1	0	346.324	1.355	20	10		EDCDRM
CN1CC(=O)N(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC000813685584	593548667	/nfs/dbraw/zinc/54/86/67/593548667.db2.gz	LPHWOJLBJXEUOE-UHFFFAOYSA-N	-1	0	346.170	1.209	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)CCn2ccnc2)NC(=O)[O-])cc1	ZINC000828063207	594333320	/nfs/dbraw/zinc/33/33/20/594333320.db2.gz	BWMVQAZSKYAVMN-HNNXBMFYSA-N	-1	0	345.403	1.464	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])c1	ZINC000829483147	594623420	/nfs/dbraw/zinc/62/34/20/594623420.db2.gz	DQFOWLFDSDUSJI-TVQRCGJNSA-N	-1	0	338.360	1.520	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000827052255	594631352	/nfs/dbraw/zinc/63/13/52/594631352.db2.gz	PEEBQXXDBNNCDO-GJZGRUSLSA-N	-1	0	335.404	1.262	20	10		EDCDRM
COc1cccc(CNC(=O)NC[C@H]2CCCCN2C(=O)[O-])c1O	ZINC000829558604	594639986	/nfs/dbraw/zinc/63/99/86/594639986.db2.gz	BRNKTYXRXLGGFY-GFCCVEGCSA-N	-1	0	337.376	1.733	20	10		EDCDRM
O=C([O-])N1CC(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	ZINC000831847026	594707015	/nfs/dbraw/zinc/70/70/15/594707015.db2.gz	PKNMSQBMGZGUPH-AWEZNQCLSA-N	-1	0	349.387	1.445	20	10		EDCDRM
CC1(C)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](CO)O1	ZINC000844214814	595303992	/nfs/dbraw/zinc/30/39/92/595303992.db2.gz	VENGHUAXMBGXNM-FUEXJSSKSA-N	-1	0	336.344	1.669	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1	ZINC000866115632	596793899	/nfs/dbraw/zinc/79/38/99/596793899.db2.gz	BTLCAJRWXZJBDB-CYBMUJFWSA-N	-1	0	344.419	1.666	20	10		EDCDRM
O=S(=O)(C[C@@H]1CCCCO1)[N-]N=c1[nH]c2ccncc2s1	ZINC000872384589	596896490	/nfs/dbraw/zinc/89/64/90/596896490.db2.gz	KITAFGCUQBFHHO-VIFPVBQESA-N	-1	0	328.419	1.507	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H]2CCCOC2)cc1	ZINC000872906510	597119037	/nfs/dbraw/zinc/11/90/37/597119037.db2.gz	BZOZGUPPBSLJBI-CYBMUJFWSA-N	-1	0	336.388	1.129	20	10		EDCDRM
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000874966205	597225049	/nfs/dbraw/zinc/22/50/49/597225049.db2.gz	RWJQLQVNSVKKDN-GOSISDBHSA-N	-1	0	344.367	1.472	20	10		EDCDRM
CC1CCN(c2ccc(CNC(=O)COCCNC(=O)[O-])cc2)CC1	ZINC000739110355	602666668	/nfs/dbraw/zinc/66/66/68/602666668.db2.gz	VMDNCHKLOOQAHL-UHFFFAOYSA-N	-1	0	349.431	1.823	20	10		EDCDRM
O=S(=O)(NCc1c(O)cccc1F)c1ccnn1C1CCC1	ZINC000921451078	697618683	/nfs/dbraw/zinc/61/86/83/697618683.db2.gz	JUHDBXLQMGZEAX-UHFFFAOYSA-N	-1	0	325.365	1.931	20	10		EDCDRM
CS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000282787107	443434426	/nfs/dbraw/zinc/43/44/26/443434426.db2.gz	QUUOZFRTRIABBZ-SNVBAGLBSA-N	-1	0	334.781	1.573	20	10		EDCDRM
CNS(=O)(=O)[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000368991755	447251647	/nfs/dbraw/zinc/25/16/47/447251647.db2.gz	VBZJGNRXMMINFT-SECBINFHSA-N	-1	0	336.816	1.698	20	10		EDCDRM
O=C([O-])NCCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000739960174	579274318	/nfs/dbraw/zinc/27/43/18/579274318.db2.gz	USQWFWLZVFVPAD-UHFFFAOYSA-N	-1	0	349.431	1.559	20	10		EDCDRM
O=C1N[C@H](c2cccc(Br)c2[O-])N2CCSC[C@@H]12	ZINC000765516955	580144588	/nfs/dbraw/zinc/14/45/88/580144588.db2.gz	PDECSSWIPXSWGM-ONGXEEELSA-N	-1	0	329.219	1.701	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc(OC)c1	ZINC000775286981	580387317	/nfs/dbraw/zinc/38/73/17/580387317.db2.gz	STYAHOGCNVWWPK-UHFFFAOYSA-N	-1	0	337.353	1.988	20	10		EDCDRM
C[S@@](=O)CCN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775716542	580398361	/nfs/dbraw/zinc/39/83/61/580398361.db2.gz	CLOKVHAVNZKMAL-OAQYLSRUSA-N	-1	0	334.844	1.681	20	10		EDCDRM
Cn1c(=O)n(C)c2cc(NC(=O)c3c(F)ccc(O)c3[O-])ccc21	ZINC000789963782	580758081	/nfs/dbraw/zinc/75/80/81/580758081.db2.gz	OFKBYVKJLQOHEY-UHFFFAOYSA-N	-1	0	331.303	1.680	20	10		EDCDRM
O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000793948216	580861587	/nfs/dbraw/zinc/86/15/87/580861587.db2.gz	BKIKFTPVKBYNSN-WAPJZHGLSA-N	-1	0	339.311	1.431	20	10		EDCDRM
Cn1cccc1C(=O)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000893917075	591137792	/nfs/dbraw/zinc/13/77/92/591137792.db2.gz	PLAVTOVMGKDBSF-UHFFFAOYSA-N	-1	0	335.354	1.967	20	10		EDCDRM
C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@H](CO)O1	ZINC000894538599	591336953	/nfs/dbraw/zinc/33/69/53/591336953.db2.gz	SIPRNRHYTARZSA-LDYMZIIASA-N	-1	0	334.185	1.875	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)c3c(C(=O)[O-])cnn3C)C2)cc1	ZINC000902045527	591903213	/nfs/dbraw/zinc/90/32/13/591903213.db2.gz	GGEMLQUDCGZORH-NSHDSACASA-N	-1	0	344.371	1.136	20	10		EDCDRM
CSC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-]	ZINC000905521782	592559691	/nfs/dbraw/zinc/55/96/91/592559691.db2.gz	PVZOSSCMJMTXIQ-LLVKDONJSA-N	-1	0	329.397	1.507	20	10		EDCDRM
C[C@@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000911290909	592980992	/nfs/dbraw/zinc/98/09/92/592980992.db2.gz	FYZMDMZEIDUEJS-WQVCFCJDSA-N	-1	0	332.400	1.811	20	10		EDCDRM
O=C(CN1CCC(=O)NC1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807837241	593203233	/nfs/dbraw/zinc/20/32/33/593203233.db2.gz	IMVXJKMNEDPPAA-UHFFFAOYSA-N	-1	0	346.170	1.257	20	10		EDCDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(O)cc2F)s1	ZINC000808105520	593319032	/nfs/dbraw/zinc/31/90/32/593319032.db2.gz	IERYSHRMWMMZFK-UHFFFAOYSA-N	-1	0	331.350	1.747	20	10		EDCDRM
CN1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1=O	ZINC000805183514	593406812	/nfs/dbraw/zinc/40/68/12/593406812.db2.gz	HJKNCMMJXRWBNF-VIFPVBQESA-N	-1	0	332.187	1.729	20	10		EDCDRM
C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000818029252	593659221	/nfs/dbraw/zinc/65/92/21/593659221.db2.gz	VGXSPEOCDDWISC-DZGCQCFKSA-N	-1	0	347.415	1.700	20	10		EDCDRM
COC(=O)/C=C/c1ccc(N2CC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000828649141	594472406	/nfs/dbraw/zinc/47/24/06/594472406.db2.gz	XTLQIKUXQDSANE-FUEXJSSKSA-N	-1	0	349.343	1.970	20	10		EDCDRM
Cc1nonc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830930287	594515315	/nfs/dbraw/zinc/51/53/15/594515315.db2.gz	QEXIJOUINZISPL-LBPRGKRZSA-N	-1	0	333.348	1.183	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])c1	ZINC000829483555	594623499	/nfs/dbraw/zinc/62/34/99/594623499.db2.gz	JHJSGILFWPZWHC-ZDUSSCGKSA-N	-1	0	338.360	1.176	20	10		EDCDRM
COc1cccc(CNC(=O)NCC2CCN(C(=O)[O-])CC2)c1O	ZINC000829560259	594640404	/nfs/dbraw/zinc/64/04/04/594640404.db2.gz	PKAQRNWXDNECKZ-UHFFFAOYSA-N	-1	0	337.376	1.590	20	10		EDCDRM
CCOCCNC(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000827405011	594668852	/nfs/dbraw/zinc/66/88/52/594668852.db2.gz	KJQQNFUROYLKNI-UHFFFAOYSA-N	-1	0	335.404	1.360	20	10		EDCDRM
CC(=O)N1CC[C@H](CN(C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000833389663	594838039	/nfs/dbraw/zinc/83/80/39/594838039.db2.gz	FAZWRPHXPUQLMH-YVARQFDVSA-N	-1	0	347.371	1.997	20	10		EDCDRM
CC(C)C(=O)NCCN(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833467733	594853322	/nfs/dbraw/zinc/85/33/22/594853322.db2.gz	RXNINBGBLCVFJX-ALCCZGGFSA-N	-1	0	335.360	1.901	20	10		EDCDRM
COc1ccc(O)c(CNS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1	ZINC000833733533	594918211	/nfs/dbraw/zinc/91/82/11/594918211.db2.gz	JUKSSHVXHRVENJ-UHFFFAOYSA-N	-1	0	341.341	1.479	20	10		EDCDRM
CC[C@](C)(CNC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000833838577	594945591	/nfs/dbraw/zinc/94/55/91/594945591.db2.gz	QLXBVEYGTBQNNY-GOSISDBHSA-N	-1	0	349.431	1.823	20	10		EDCDRM
O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1	ZINC000834149327	595029371	/nfs/dbraw/zinc/02/93/71/595029371.db2.gz	DHMAVOQGAZTWSQ-CQSZACIVSA-N	-1	0	344.367	1.635	20	10		EDCDRM
O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCS(=O)(=O)C1	ZINC000845087759	595439017	/nfs/dbraw/zinc/43/90/17/595439017.db2.gz	HNVLYFKWNFIJLE-NSHDSACASA-N	-1	0	332.809	1.422	20	10		EDCDRM
O=C([O-])CCCN1C(=O)/C(=C/c2cnn3c2CCC3)SC1=S	ZINC000849177106	595490954	/nfs/dbraw/zinc/49/09/54/595490954.db2.gz	YZWVQRCVPFWQTN-XFFZJAGNSA-N	-1	0	337.426	1.895	20	10		EDCDRM
CCO[N-]C(=O)CNC(=O)NCc1cc(Br)ccc1O	ZINC000845531891	595512653	/nfs/dbraw/zinc/51/26/53/595512653.db2.gz	GKSOOKFGGDZFSE-UHFFFAOYSA-N	-1	0	346.181	1.022	20	10		EDCDRM
CCO[C@@H](CS(=O)(=O)[N-]N=c1[nH]c2cccnc2s1)C1CC1	ZINC000863410226	596574398	/nfs/dbraw/zinc/57/43/98/596574398.db2.gz	XPQDVRNHJYASBY-NSHDSACASA-N	-1	0	342.446	1.753	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CC[C@H]3COC[C@H]3C2)cc1	ZINC000872983295	597150419	/nfs/dbraw/zinc/15/04/19/597150419.db2.gz	DIOGUDDSEMLKFP-UONOGXRCSA-N	-1	0	348.399	1.081	20	10		EDCDRM
NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000032096983	441546427	/nfs/dbraw/zinc/54/64/27/441546427.db2.gz	YYJGQJIGVVEKPM-UHFFFAOYSA-N	-1	0	348.409	1.520	20	10		EDCDRM
CC(C)NC(=O)CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000294938818	444161124	/nfs/dbraw/zinc/16/11/24/444161124.db2.gz	PGYMEYMHKUPSKK-UHFFFAOYSA-N	-1	0	343.830	1.827	20	10		EDCDRM
O=C([O-])CS(=O)(=O)CCN1CCCc2cc(OC(F)F)ccc21	ZINC000377347811	447081759	/nfs/dbraw/zinc/08/17/59/447081759.db2.gz	SLTVDJNWDJYGOP-UHFFFAOYSA-N	-1	0	349.355	1.540	20	10		EDCDRM
O=C([O-])N1CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	ZINC000740488199	579352426	/nfs/dbraw/zinc/35/24/26/579352426.db2.gz	AIHNBFAKSIGYEY-CABCVRRESA-N	-1	0	348.399	1.900	20	10		EDCDRM
CCN(CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(=O)[O-]	ZINC000739429919	579204833	/nfs/dbraw/zinc/20/48/33/579204833.db2.gz	PWHVSAGVBSABCO-JTQLQIEISA-N	-1	0	325.365	1.761	20	10		EDCDRM
CC[C@H](NC(=O)[O-])C(=O)NC1CCN(c2ccc(OC)cc2)CC1	ZINC000739532777	579215804	/nfs/dbraw/zinc/21/58/04/579215804.db2.gz	YQPCDLNLDMNMTL-HNNXBMFYSA-N	-1	0	335.404	1.826	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)c2c[n-]n3c2nccc3=O)cc1	ZINC000773726115	580344733	/nfs/dbraw/zinc/34/47/33/580344733.db2.gz	NZAANXLVOXMNRK-UHFFFAOYSA-N	-1	0	325.372	1.361	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1OC	ZINC000779460264	580486094	/nfs/dbraw/zinc/48/60/94/580486094.db2.gz	MTMAULUVQWNWCA-UHFFFAOYSA-N	-1	0	337.353	1.988	20	10		EDCDRM
C[C@H](NC(=O)N1CCC[C@@H]1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000780477909	580524105	/nfs/dbraw/zinc/52/41/05/580524105.db2.gz	GLVJBQFVJICFRQ-XJKSGUPXSA-N	-1	0	347.415	1.843	20	10		EDCDRM
CN(CCN1CCCS1(=O)=O)Cc1c([O-])ccc(Cl)c1F	ZINC000792168300	580812173	/nfs/dbraw/zinc/81/21/73/580812173.db2.gz	CCYIUMXETISIQC-UHFFFAOYSA-N	-1	0	336.816	1.652	20	10		EDCDRM
CCc1nc(CN2CCN(Cc3cc(F)cc(F)c3[O-])CC2)no1	ZINC000894016329	591171858	/nfs/dbraw/zinc/17/18/58/591171858.db2.gz	BJMALVZOSYEEQN-UHFFFAOYSA-N	-1	0	338.358	1.934	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)cc1	ZINC000899850709	591961544	/nfs/dbraw/zinc/96/15/44/591961544.db2.gz	IXOFOBNPHIZNHQ-UHOFOFEASA-N	-1	0	332.400	1.891	20	10		EDCDRM
O=C([O-])[C@@]1(NC(=O)NCc2ccc(N3CCCC3)cc2)CCOC1	ZINC000908848110	592641139	/nfs/dbraw/zinc/64/11/39/592641139.db2.gz	YWDCGMGYXUFCOA-QGZVFWFLSA-N	-1	0	333.388	1.330	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@H](C)C(=O)[O-])C2)cc1	ZINC000909130455	592737150	/nfs/dbraw/zinc/73/71/50/592737150.db2.gz	AAXINAASAIUJRY-CHWSQXEVSA-N	-1	0	335.404	1.636	20	10		EDCDRM
Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000910227973	592798565	/nfs/dbraw/zinc/79/85/65/592798565.db2.gz	JUUFAZUVPJNTLH-DOMZBBRYSA-N	-1	0	343.383	1.803	20	10		EDCDRM
Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911486975	592928718	/nfs/dbraw/zinc/92/87/18/592928718.db2.gz	RJULZIJSBOSKDP-LLVKDONJSA-N	-1	0	345.399	1.959	20	10		EDCDRM
C[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccc(N2CCOCC2)cc1	ZINC000823834997	593869487	/nfs/dbraw/zinc/86/94/87/593869487.db2.gz	SLFHVDUGETXLHF-GFCCVEGCSA-N	-1	0	330.388	1.453	20	10		EDCDRM
COC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000825158066	594138349	/nfs/dbraw/zinc/13/83/49/594138349.db2.gz	COZCDVDKLHIXRB-CQSZACIVSA-N	-1	0	330.768	1.785	20	10		EDCDRM
O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1cc(-c2nn[nH]n2)cs1	ZINC000823547630	594215979	/nfs/dbraw/zinc/21/59/79/594215979.db2.gz	LSWDJNXLEVDPKH-KPKJPENVSA-N	-1	0	338.352	1.390	20	10		EDCDRM
Cc1cc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n(C)n1	ZINC000829945238	594298042	/nfs/dbraw/zinc/29/80/42/594298042.db2.gz	IWSJOYOURXABHC-AWEZNQCLSA-N	-1	0	345.403	1.533	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cc[n+]([O-])cc2)NC(=O)[O-])cc1	ZINC000828063184	594333206	/nfs/dbraw/zinc/33/32/06/594333206.db2.gz	BJZNWQMITMVNAG-OAHLLOKOSA-N	-1	0	344.371	1.125	20	10		EDCDRM
CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(N2CCCC2)cc1	ZINC000830751681	594470941	/nfs/dbraw/zinc/47/09/41/594470941.db2.gz	APPAIFSXISQZRJ-UHFFFAOYSA-N	-1	0	341.433	1.028	20	10		EDCDRM
COC(=O)/C=C\c1ccc(N(C)[C@@H](C)CNC(=O)[O-])c([N+](=O)[O-])c1	ZINC000828647843	594471948	/nfs/dbraw/zinc/47/19/48/594471948.db2.gz	RYXNZRAHCRYVFP-BXKUYDPTSA-N	-1	0	337.332	1.873	20	10		EDCDRM
CC(C)N(CCC(=O)[O-])C(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000833496574	594859352	/nfs/dbraw/zinc/85/93/52/594859352.db2.gz	CHNLQZKWJAHULI-UHFFFAOYSA-N	-1	0	344.389	1.089	20	10		EDCDRM
C[C@H](NC(=O)[O-])[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1	ZINC000833820885	594939311	/nfs/dbraw/zinc/93/93/11/594939311.db2.gz	VESZIJFQRZDXPZ-WMLDXEAASA-N	-1	0	349.431	1.380	20	10		EDCDRM
CCS(=O)(=O)C1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000841885875	594974047	/nfs/dbraw/zinc/97/40/47/594974047.db2.gz	GHGTZSFIDBOVDW-UHFFFAOYSA-N	-1	0	334.781	1.573	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)c1ncc(C(=O)[O-])cn1	ZINC000844206732	595302167	/nfs/dbraw/zinc/30/21/67/595302167.db2.gz	KIZISCIIACWOBO-UHFFFAOYSA-N	-1	0	328.372	1.648	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)C[C@@]3(C(=O)[O-])CCOC3)C2)cc1	ZINC000849183760	595492150	/nfs/dbraw/zinc/49/21/50/595492150.db2.gz	UHAINHJRTFYCBA-ACJLOTCBSA-N	-1	0	348.399	1.272	20	10		EDCDRM
CCOC(C)(C)CNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000853006358	595639304	/nfs/dbraw/zinc/63/93/04/595639304.db2.gz	DUHVHLSQIBENJI-UHFFFAOYSA-N	-1	0	338.404	1.518	20	10		EDCDRM
CCCN(CCC)S(=O)(=O)[N-]N=c1[nH]c2cccnc2s1	ZINC000857225009	596191137	/nfs/dbraw/zinc/19/11/37/596191137.db2.gz	DDDVNNMRKFPERX-UHFFFAOYSA-N	-1	0	329.451	1.975	20	10		EDCDRM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1nnn[n-]1	ZINC000864637247	596292950	/nfs/dbraw/zinc/29/29/50/596292950.db2.gz	KOXVHKNZQOOLIZ-UHFFFAOYSA-N	-1	0	328.420	1.781	20	10		EDCDRM
COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(O)c1	ZINC000914786264	695649363	/nfs/dbraw/zinc/64/93/63/695649363.db2.gz	AZLRWPRSCVBENF-ONNFQVAWSA-N	-1	0	325.367	1.687	20	10		EDCDRM
O=C1OC[C@@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CCN12	ZINC000378345936	447419717	/nfs/dbraw/zinc/41/97/17/447419717.db2.gz	NZXBHACEHCECHO-JTQLQIEISA-N	-1	0	327.724	1.590	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)CC[C@H]2C)c1O	ZINC000192093405	442590521	/nfs/dbraw/zinc/59/05/21/442590521.db2.gz	JHORMXOAAJXTCL-SNVBAGLBSA-N	-1	0	329.393	1.743	20	10		EDCDRM
CC(C)[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093054809	528646771	/nfs/dbraw/zinc/64/67/71/528646771.db2.gz	ZTTWUGJXAYUWFJ-GFCCVEGCSA-N	-1	0	327.768	1.910	20	10		EDCDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000736368005	578982998	/nfs/dbraw/zinc/98/29/98/578982998.db2.gz	BNYWRUCGJFINHD-OAHLLOKOSA-N	-1	0	335.404	1.432	20	10		EDCDRM
CN(CCCNC(=O)[O-])C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000739675755	579234816	/nfs/dbraw/zinc/23/48/16/579234816.db2.gz	MKYRQIFURPXISO-UHFFFAOYSA-N	-1	0	334.420	1.868	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCN1C(=O)[O-]	ZINC000739711161	579239749	/nfs/dbraw/zinc/23/97/49/579239749.db2.gz	ZBSLJXBWCLVBKR-INIZCTEOSA-N	-1	0	347.415	1.624	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H](C)NC(=O)[O-])c1	ZINC000739925007	579268706	/nfs/dbraw/zinc/26/87/06/579268706.db2.gz	GLJXNTORHNZONK-VHSXEESVSA-N	-1	0	325.365	1.807	20	10		EDCDRM
Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000765046383	580133938	/nfs/dbraw/zinc/13/39/38/580133938.db2.gz	DYWLIDNTLGEPBQ-UHFFFAOYSA-N	-1	0	332.341	1.431	20	10		EDCDRM
O=C([O-])CN(c1ccccc1)S(=O)(=O)c1cccc2nonc21	ZINC000776651502	580425381	/nfs/dbraw/zinc/42/53/81/580425381.db2.gz	GMHOQEOGDQPYML-UHFFFAOYSA-N	-1	0	333.325	1.503	20	10		EDCDRM
CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000780479228	580524017	/nfs/dbraw/zinc/52/40/17/580524017.db2.gz	YAAXXLYOPFRYBE-CYBMUJFWSA-N	-1	0	335.404	1.700	20	10		EDCDRM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCO[C@@H]3C[C@@H]32)c1	ZINC000793625282	580849206	/nfs/dbraw/zinc/84/92/06/580849206.db2.gz	YZDFWMFQZIGTCJ-ZWKOTPCHSA-N	-1	0	346.427	1.400	20	10		EDCDRM
COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(F)cc(F)c2[O-])C1	ZINC000894581135	591352438	/nfs/dbraw/zinc/35/24/38/591352438.db2.gz	JPZQUYZWTRUATJ-RISCZKNCSA-N	-1	0	331.359	1.516	20	10		EDCDRM
C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1	ZINC000896508437	591484313	/nfs/dbraw/zinc/48/43/13/591484313.db2.gz	CSOVGCRMPLWPSG-MRVPVSSYSA-N	-1	0	341.410	1.572	20	10		EDCDRM
C[C@H](OC[C@H]1CCCO1)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911487067	592928845	/nfs/dbraw/zinc/92/88/45/592928845.db2.gz	SVGQQKPSONNPQZ-GXTWGEPZSA-N	-1	0	337.372	1.390	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cc(C(=O)[O-])cn1	ZINC000911117953	592936672	/nfs/dbraw/zinc/93/66/72/592936672.db2.gz	GKMWMIQFSGWFEQ-UHFFFAOYSA-N	-1	0	330.388	1.696	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)COCC1CC1	ZINC000911359580	593005410	/nfs/dbraw/zinc/00/54/10/593005410.db2.gz	BLYXUMOIMMWGJU-UHFFFAOYSA-N	-1	0	327.764	1.885	20	10		EDCDRM
Cn1cc(/C=C\C(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)cn1	ZINC000819067406	593737092	/nfs/dbraw/zinc/73/70/92/593737092.db2.gz	JYIKTXJNEXQLQG-DJWKRKHSSA-N	-1	0	329.312	1.280	20	10		EDCDRM
CC(=O)N1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1	ZINC000825846669	594261265	/nfs/dbraw/zinc/26/12/65/594261265.db2.gz	BFJXVCUTSGIHMX-MALLOTDXSA-N	-1	0	333.344	1.750	20	10		EDCDRM
C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN1C(=O)[O-]	ZINC000826075171	594325479	/nfs/dbraw/zinc/32/54/79/594325479.db2.gz	VHGHVJVBTZOGNP-MRVPVSSYSA-N	-1	0	336.304	1.114	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)C2=COCCO2)NC(=O)[O-])cc1	ZINC000828055113	594331376	/nfs/dbraw/zinc/33/13/76/594331376.db2.gz	DGVYVCKKYDCFGW-CYBMUJFWSA-N	-1	0	335.360	1.066	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)C2CCOCC2)NC(=O)[O-])cc1	ZINC000828056064	594331765	/nfs/dbraw/zinc/33/17/65/594331765.db2.gz	LYXWWWJVUBHGHH-OAHLLOKOSA-N	-1	0	335.404	1.604	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCO2)NC(=O)[O-])cc1	ZINC000828056250	594331823	/nfs/dbraw/zinc/33/18/23/594331823.db2.gz	OVZVIHRDSIXCJN-LSDHHAIUSA-N	-1	0	335.404	1.747	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)NC(C)(C)CNC(=O)[O-])cc1F	ZINC000828066969	594334022	/nfs/dbraw/zinc/33/40/22/594334022.db2.gz	AXCFPDXDIXZIPK-UHFFFAOYSA-N	-1	0	326.372	1.737	20	10		EDCDRM
CN(C)c1ccc(CN(C)S(=O)(=O)CC2(CC(=O)[O-])CC2)cc1	ZINC000830635524	594444192	/nfs/dbraw/zinc/44/41/92/594444192.db2.gz	OBWQCJNRLZOUNQ-UHFFFAOYSA-N	-1	0	340.445	1.769	20	10		EDCDRM
COC(=O)[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C	ZINC000831119170	594561521	/nfs/dbraw/zinc/56/15/21/594561521.db2.gz	JMDZIHHLHRTVNB-BMXCINDRSA-N	-1	0	334.328	1.938	20	10		EDCDRM
Cc1oc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)[O-]	ZINC000833026798	594792476	/nfs/dbraw/zinc/79/24/76/594792476.db2.gz	LGGVRJLRGWTKRE-UHFFFAOYSA-N	-1	0	338.385	1.831	20	10		EDCDRM
O=C([O-])CCNC(=O)CN(Cc1ccco1)Cc1ccccc1O	ZINC000833236220	594811223	/nfs/dbraw/zinc/81/12/23/594811223.db2.gz	AUXLHXHYJKPJPI-UHFFFAOYSA-N	-1	0	332.356	1.578	20	10		EDCDRM
COc1ccc(O)c(CNS(=O)(=O)c2csnc2C(=O)[O-])c1	ZINC000833733857	594918234	/nfs/dbraw/zinc/91/82/34/594918234.db2.gz	TUVCIILNFRIUBH-UHFFFAOYSA-N	-1	0	344.370	1.034	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C[C@@H](OC)C1CC1	ZINC000842589064	595133468	/nfs/dbraw/zinc/13/34/68/595133468.db2.gz	QQTCTBCFOHQRKT-CYBMUJFWSA-N	-1	0	329.374	1.346	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)[C@](C)(OC)C(=O)[O-])CC2)cc1	ZINC000852952192	595626170	/nfs/dbraw/zinc/62/61/70/595626170.db2.gz	UUPOVCDQDHCEOZ-KRWDZBQOSA-N	-1	0	336.388	1.270	20	10		EDCDRM
O=S(=O)(C[C@H]1CCCCO1)[N-]N=c1[nH]c2ccncc2s1	ZINC000872384587	596896473	/nfs/dbraw/zinc/89/64/73/596896473.db2.gz	KITAFGCUQBFHHO-SECBINFHSA-N	-1	0	328.419	1.507	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000874412450	597066399	/nfs/dbraw/zinc/06/63/99/597066399.db2.gz	FRONOHUFCWYBDI-GASCZTMLSA-N	-1	0	347.415	1.528	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2C[C@H]2C(F)(F)F)cc1	ZINC000872996058	597153990	/nfs/dbraw/zinc/15/39/90/597153990.db2.gz	OEXRLGCHJMRAFR-VXGBXAGGSA-N	-1	0	346.305	1.653	20	10		EDCDRM
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCOCC(=O)[O-])c1	ZINC000874969320	597225693	/nfs/dbraw/zinc/22/56/93/597225693.db2.gz	CQDJSNKCILRUMW-UHFFFAOYSA-N	-1	0	344.367	1.738	20	10		EDCDRM
COCCNC(=O)Cn1cc(NCc2ccc(F)c(F)c2[O-])cn1	ZINC000877164638	597449322	/nfs/dbraw/zinc/44/93/22/597449322.db2.gz	AVAOPBFHEFCMKO-UHFFFAOYSA-N	-1	0	340.330	1.242	20	10		EDCDRM
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1	ZINC000322006590	599766391	/nfs/dbraw/zinc/76/63/91/599766391.db2.gz	RJPRIFWNHXRMFZ-UHFFFAOYSA-N	-1	0	338.385	1.865	20	10		EDCDRM
C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093559618	297776099	/nfs/dbraw/zinc/77/60/99/297776099.db2.gz	DMUSAJXMIQAQSF-BDAKNGLRSA-N	-1	0	348.808	1.961	20	10		EDCDRM
COC(=O)CN(CC(=O)N1CCCC1)Cc1cc(Cl)ccc1O	ZINC000121234234	442195176	/nfs/dbraw/zinc/19/51/76/442195176.db2.gz	JAPXZFYYDWYNGB-UHFFFAOYSA-N	-1	0	340.807	1.643	20	10		EDCDRM
CC(C)OCCOC[C@H](O)CN(C)C(=O)c1c(F)ccc(O)c1O	ZINC000294792691	444143516	/nfs/dbraw/zinc/14/35/16/444143516.db2.gz	AYWWCSWUFVDMCV-LLVKDONJSA-N	-1	0	345.367	1.111	20	10		EDCDRM
O=C([O-])NC[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1	ZINC000740610943	579368324	/nfs/dbraw/zinc/36/83/24/579368324.db2.gz	MNNRIZOXJLGXGL-MRXNPFEDSA-N	-1	0	344.415	1.908	20	10		EDCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CC(=O)N1CCOCC1	ZINC000740675803	579376931	/nfs/dbraw/zinc/37/69/31/579376931.db2.gz	NTKSMWBCOWRLGM-UHFFFAOYSA-N	-1	0	333.388	1.066	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)CN2CCC(N(C)C(=O)[O-])CC2)cc1	ZINC000737955324	578323030	/nfs/dbraw/zinc/32/30/30/578323030.db2.gz	QJOQNNAFYDVXHR-UHFFFAOYSA-N	-1	0	348.447	1.443	20	10		EDCDRM
Cc1nn(C)c(C)c1CN1CCN(C(=O)C2=CC(=O)CS2)CC1	ZINC000734550512	578822862	/nfs/dbraw/zinc/82/28/62/578822862.db2.gz	NWQKQMNICVAONT-UHFFFAOYSA-N	-1	0	334.445	1.762	20	10		EDCDRM
CCNC(=O)NC(=O)[C@@H](C)N1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739465524	579209363	/nfs/dbraw/zinc/20/93/63/579209363.db2.gz	VWUFSGYKASTBLJ-LLVKDONJSA-N	-1	0	348.403	1.441	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])cc1	ZINC000739708851	579239384	/nfs/dbraw/zinc/23/93/84/579239384.db2.gz	BVJIIFHYYZYHIM-MRXNPFEDSA-N	-1	0	349.431	1.870	20	10		EDCDRM
Nc1nsc(N2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)n1	ZINC000792168325	580812189	/nfs/dbraw/zinc/81/21/89/580812189.db2.gz	COGNPIWLZHAIGQ-UHFFFAOYSA-N	-1	0	343.815	1.941	20	10		EDCDRM
C[C@H](C(=O)NC1CC1)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000893916507	591137042	/nfs/dbraw/zinc/13/70/42/591137042.db2.gz	JIWAIWGEFYVKHE-LLVKDONJSA-N	-1	0	339.386	1.455	20	10		EDCDRM
COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(F)cc(F)c1[O-]	ZINC000894430460	591310415	/nfs/dbraw/zinc/31/04/15/591310415.db2.gz	GFJKXULMHHILHN-TVQRCGJNSA-N	-1	0	343.326	1.597	20	10		EDCDRM
CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1	ZINC000895416510	591749937	/nfs/dbraw/zinc/74/99/37/591749937.db2.gz	WRGLIQRCSAYHCM-JTQLQIEISA-N	-1	0	334.388	1.432	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)c2c(C(=O)[O-])cnn2C)cc1	ZINC000901934636	591868922	/nfs/dbraw/zinc/86/89/22/591868922.db2.gz	PEOLAQHTVTYRPQ-UHFFFAOYSA-N	-1	0	330.388	1.895	20	10		EDCDRM
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc([O-])c(F)c1F	ZINC000901441629	592364925	/nfs/dbraw/zinc/36/49/25/592364925.db2.gz	CBFZCANPTGNSOX-YFHOEESVSA-N	-1	0	326.324	1.973	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cc1	ZINC000908758741	592601432	/nfs/dbraw/zinc/60/14/32/592601432.db2.gz	QRPRLKXBOBNLSG-UKRRQHHQSA-N	-1	0	335.404	1.432	20	10		EDCDRM
COC[C@](C)(NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-]	ZINC000908847135	592640193	/nfs/dbraw/zinc/64/01/93/592640193.db2.gz	JOLUEFRKDJLZIM-KRWDZBQOSA-N	-1	0	335.404	1.576	20	10		EDCDRM
CO[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)[C@@](C)(C(=O)[O-])C1	ZINC000909042578	592712225	/nfs/dbraw/zinc/71/22/25/592712225.db2.gz	HLYVXKNXZOSSJT-MAUKXSAKSA-N	-1	0	349.431	1.835	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H](C)CC(=O)[O-])CC2)c(OC)c1	ZINC000911167543	592940948	/nfs/dbraw/zinc/94/09/48/592940948.db2.gz	ZPHDNDKTIHZXAR-LBPRGKRZSA-N	-1	0	336.388	1.463	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c(OC)c1	ZINC000911164806	592943614	/nfs/dbraw/zinc/94/36/14/592943614.db2.gz	ANEJBYXAORDPJO-STQMWFEESA-N	-1	0	334.372	1.073	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)CCn1ccnc1	ZINC000911360026	593005918	/nfs/dbraw/zinc/00/59/18/593005918.db2.gz	LLBTXGGPWIIDRP-UHFFFAOYSA-N	-1	0	337.763	1.746	20	10		EDCDRM
CCS(=O)(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807840302	593203227	/nfs/dbraw/zinc/20/32/27/593203227.db2.gz	XWOTWCVMUWYSOX-UHFFFAOYSA-N	-1	0	341.216	1.255	20	10		EDCDRM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCC(=O)[O-]	ZINC000817113891	593571797	/nfs/dbraw/zinc/57/17/97/593571797.db2.gz	BNXMCRQAGYCXPX-UHFFFAOYSA-N	-1	0	347.415	1.226	20	10		EDCDRM
CN(C)c1ccc(CN(C(=O)C(=O)NCCCC(=O)[O-])C2CC2)cc1	ZINC000817116188	593572420	/nfs/dbraw/zinc/57/24/20/593572420.db2.gz	XUXBUULVWAUOHF-UHFFFAOYSA-N	-1	0	347.415	1.225	20	10		EDCDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000830155233	594346607	/nfs/dbraw/zinc/34/66/07/594346607.db2.gz	COLRQIMSVYFIMZ-SECBINFHSA-N	-1	0	347.364	1.486	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000828354730	594399387	/nfs/dbraw/zinc/39/93/87/594399387.db2.gz	BCHMYEYAZIXHQK-INIZCTEOSA-N	-1	0	349.431	1.870	20	10		EDCDRM
COC(=O)/C=C/c1ccc(N(C)[C@H](C)CNC(=O)[O-])c([N+](=O)[O-])c1	ZINC000828647842	594471947	/nfs/dbraw/zinc/47/19/47/594471947.db2.gz	RYXNZRAHCRYVFP-BREXMAIKSA-N	-1	0	337.332	1.873	20	10		EDCDRM
C[C@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)c1ccc(N(C)C)cc1	ZINC000831039362	594543235	/nfs/dbraw/zinc/54/32/35/594543235.db2.gz	UVUHVTLEZSKSIE-ZDUSSCGKSA-N	-1	0	349.431	1.994	20	10		EDCDRM
CCN(CC)c1ccc(CN(C)C(=O)COC2CN(C(=O)[O-])C2)cc1	ZINC000827052541	594631166	/nfs/dbraw/zinc/63/11/66/594631166.db2.gz	UQUCCDKYURKLMM-UHFFFAOYSA-N	-1	0	349.431	1.870	20	10		EDCDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCN([C@@H]3CCOC3)CC2)c1[O-]	ZINC000827114469	594643539	/nfs/dbraw/zinc/64/35/39/594643539.db2.gz	SWJZTOOZLYZHDU-CYBMUJFWSA-N	-1	0	341.795	1.860	20	10		EDCDRM
O=C(COC1CN(C(=O)[O-])C1)NCCCSc1nccs1	ZINC000831533060	594681383	/nfs/dbraw/zinc/68/13/83/594681383.db2.gz	BLZIAMAKSSTSLU-UHFFFAOYSA-N	-1	0	331.419	1.120	20	10		EDCDRM
CC(=O)c1cc(Cl)cc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1O	ZINC000833400823	594840605	/nfs/dbraw/zinc/84/06/05/594840605.db2.gz	OGBTWRHMANWEMJ-HNNXBMFYSA-N	-1	0	341.791	1.906	20	10		EDCDRM
O=C([O-])N1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000834050688	595001130	/nfs/dbraw/zinc/00/11/30/595001130.db2.gz	ZUEMNHYQBDWVHK-OAHLLOKOSA-N	-1	0	344.415	1.862	20	10		EDCDRM
O=C([O-])c1cnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1	ZINC000844207570	595302156	/nfs/dbraw/zinc/30/21/56/595302156.db2.gz	HXOPTPDGKXDQDV-UHFFFAOYSA-N	-1	0	346.362	1.887	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CCN(CCCO)CC2)c([N+](=O)[O-])c1	ZINC000844209414	595302499	/nfs/dbraw/zinc/30/24/99/595302499.db2.gz	SHKQWSOAJWMRSN-HWKANZROSA-N	-1	0	335.360	1.197	20	10		EDCDRM
CC(=O)c1cc(Cl)cc(C[NH2+]C2(C(N)=O)CCOCC2)c1O	ZINC000852493509	596180933	/nfs/dbraw/zinc/18/09/33/596180933.db2.gz	OWUMYVRLCIUHLK-UHFFFAOYSA-N	-1	0	326.780	1.372	20	10		EDCDRM
COC[C@@H](NC(=O)NCc1cc(C)n(-c2ccccc2)c1C)C(=O)[O-]	ZINC000864536674	596256899	/nfs/dbraw/zinc/25/68/99/596256899.db2.gz	LXSWFFHLEMUGSG-MRXNPFEDSA-N	-1	0	345.399	1.993	20	10		EDCDRM
C[C@@H](C(=O)NC1CC1)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000876556632	597239708	/nfs/dbraw/zinc/23/97/08/597239708.db2.gz	VHWRAOOCYABIHI-NSHDSACASA-N	-1	0	339.386	1.455	20	10		EDCDRM
C[C@@H]1CS(=O)(=O)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000322524870	600560308	/nfs/dbraw/zinc/56/03/08/600560308.db2.gz	NJOKXVOEYPLGII-TZGMSPROSA-N	-1	0	340.357	1.316	20	10		EDCDRM
O=C1NCc2cccc([N-]S(=O)(=O)c3cccc4nsnc43)c21	ZINC000192713918	442678958	/nfs/dbraw/zinc/67/89/58/442678958.db2.gz	DSXNAIDISGEKAQ-UHFFFAOYSA-N	-1	0	346.393	1.736	20	10		EDCDRM
COc1cccc(CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1O	ZINC000194367386	442883607	/nfs/dbraw/zinc/88/36/07/442883607.db2.gz	IBXXYJYPPOYKAN-NSHDSACASA-N	-1	0	348.321	1.720	20	10		EDCDRM
Cc1ccc(C(=O)N(C)Cc2ncnn2CC(F)F)c(O)c1O	ZINC000278487384	443345269	/nfs/dbraw/zinc/34/52/69/443345269.db2.gz	BFDMDSILIBVHJY-UHFFFAOYSA-N	-1	0	326.303	1.535	20	10		EDCDRM
Cn1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C(F)F)n1	ZINC000291009681	443732510	/nfs/dbraw/zinc/73/25/10/443732510.db2.gz	UUEZBPYIPHMURP-QHHAFSJGSA-N	-1	0	333.341	1.644	20	10		EDCDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CCOC)c1	ZINC000276850976	443851621	/nfs/dbraw/zinc/85/16/21/443851621.db2.gz	JCEPQFNQUOALQR-UHFFFAOYSA-N	-1	0	325.390	1.598	20	10		EDCDRM
C[C@@H](C[S@](C)=O)NC(=O)NCc1cccc(Br)c1O	ZINC000277283413	443952009	/nfs/dbraw/zinc/95/20/09/443952009.db2.gz	BADHCZUABYWGHV-RLBGWGEZSA-N	-1	0	349.250	1.721	20	10		EDCDRM
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CNC(=O)[O-])cc1	ZINC000285736049	444091220	/nfs/dbraw/zinc/09/12/20/444091220.db2.gz	QZPWWRUYEFRWSI-HNNXBMFYSA-N	-1	0	335.404	1.528	20	10		EDCDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCO[C@@H]3CCOC[C@H]32)c1[O-]	ZINC000366488492	446234851	/nfs/dbraw/zinc/23/48/51/446234851.db2.gz	JCMQCHPTZZUVHT-CHWSQXEVSA-N	-1	0	328.752	1.944	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)NC(=O)[O-]	ZINC000737476574	579095805	/nfs/dbraw/zinc/09/58/05/579095805.db2.gz	KNUDLYMLDWQRPN-UHFFFAOYSA-N	-1	0	335.404	1.528	20	10		EDCDRM
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000738041321	579153764	/nfs/dbraw/zinc/15/37/64/579153764.db2.gz	HKJVYGTZMFWYDF-QWRGUYRKSA-N	-1	0	337.376	1.903	20	10		EDCDRM
NC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765035350	580133672	/nfs/dbraw/zinc/13/36/72/580133672.db2.gz	GXLLPUXSVMDWOP-UHFFFAOYSA-N	-1	0	333.329	1.514	20	10		EDCDRM
NC(=O)N1CCc2cc(NC(=O)c3c(F)ccc(O)c3[O-])ccc21	ZINC000789994473	580758904	/nfs/dbraw/zinc/75/89/04/580758904.db2.gz	NCOOKYZEVKQKII-UHFFFAOYSA-N	-1	0	331.303	1.930	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CC[C@H]3C(=O)[O-])C2)cc1	ZINC000901681187	592436339	/nfs/dbraw/zinc/43/63/39/592436339.db2.gz	CKDWGDOPHWBLRK-APHBMKBZSA-N	-1	0	332.400	1.749	20	10		EDCDRM
CC[C@H](O)[C@H](C)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360642	593005954	/nfs/dbraw/zinc/00/59/54/593005954.db2.gz	XNTGQONVYDFGEW-CABZTGNLSA-N	-1	0	329.780	1.866	20	10		EDCDRM
C[C@H]1CO[C@@H](C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1	ZINC000911360828	593006335	/nfs/dbraw/zinc/00/63/35/593006335.db2.gz	YSIMWBZOCHVNTQ-NOZJJQNGSA-N	-1	0	327.764	1.884	20	10		EDCDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1nc(-c2cnn(C)c2)cs1	ZINC000808536689	593266217	/nfs/dbraw/zinc/26/62/17/593266217.db2.gz	CLWKJYFVUCBLRW-UHFFFAOYSA-N	-1	0	338.418	1.386	20	10		EDCDRM
C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(=O)N(C)C	ZINC000804964586	593322092	/nfs/dbraw/zinc/32/20/92/593322092.db2.gz	MBSJSXYEMPNOPJ-ZETCQYMHSA-N	-1	0	334.203	1.975	20	10		EDCDRM
O=c1[nH]c2cccc([N-]S(=O)(=O)c3cccc4nonc43)c2o1	ZINC000811707197	593476450	/nfs/dbraw/zinc/47/64/50/593476450.db2.gz	UBVUVFAYPNGMRF-UHFFFAOYSA-N	-1	0	332.297	1.870	20	10		EDCDRM
CCNC(=O)CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816484478	593526386	/nfs/dbraw/zinc/52/63/86/593526386.db2.gz	DEOOFOACHRKDCI-UHFFFAOYSA-N	-1	0	329.803	1.438	20	10		EDCDRM
C[C@H](O)c1cn(C2CN(Cc3cc(Cl)c(F)cc3[O-])C2)nn1	ZINC000816565526	593531952	/nfs/dbraw/zinc/53/19/52/593531952.db2.gz	RTEHRFCXPGSYEF-QMMMGPOBSA-N	-1	0	326.759	1.886	20	10		EDCDRM
C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc(C(F)(F)F)c1[O-]	ZINC000815627671	593644690	/nfs/dbraw/zinc/64/46/90/593644690.db2.gz	GIDAUEKTHGZQGH-VIFPVBQESA-N	-1	0	340.367	1.953	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ncccn2)NC(=O)[O-])cc1	ZINC000828063354	594333281	/nfs/dbraw/zinc/33/32/81/594333281.db2.gz	DBTCDNFNSGSZFD-CYBMUJFWSA-N	-1	0	329.360	1.281	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)CC2(O)CCCC2)NC(=O)[O-])cc1	ZINC000828063316	594333324	/nfs/dbraw/zinc/33/33/24/594333324.db2.gz	CAVWNRUDXLOCEM-OAHLLOKOSA-N	-1	0	349.431	1.873	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2cc[nH]c(=O)c2)NC(=O)[O-])cc1	ZINC000828064711	594333567	/nfs/dbraw/zinc/33/35/67/594333567.db2.gz	WQRHXCQUMBCDCU-AWEZNQCLSA-N	-1	0	344.371	1.592	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)CCn2cccn2)NC(=O)[O-])cc1	ZINC000828064123	594333763	/nfs/dbraw/zinc/33/37/63/594333763.db2.gz	LPVIJYARGRTQPL-OAHLLOKOSA-N	-1	0	345.403	1.464	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cc1F	ZINC000828066957	594333945	/nfs/dbraw/zinc/33/39/45/594333945.db2.gz	ADOCWRVYAUTNSP-HNNXBMFYSA-N	-1	0	327.331	1.600	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000828074048	594335647	/nfs/dbraw/zinc/33/56/47/594335647.db2.gz	UALPANWVQXCWDJ-CYBMUJFWSA-N	-1	0	349.387	1.247	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)C[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000828355247	594399438	/nfs/dbraw/zinc/39/94/38/594399438.db2.gz	KJSPULWGSSNYNQ-HNNXBMFYSA-N	-1	0	335.404	1.480	20	10		EDCDRM
COc1cccc(CNC(=O)C2(OC)CCN(C(=O)[O-])CC2)c1O	ZINC000829560266	594640358	/nfs/dbraw/zinc/64/03/58/594640358.db2.gz	PLIWQLADDLGQLD-UHFFFAOYSA-N	-1	0	338.360	1.176	20	10		EDCDRM
COc1cccc(CNC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)c1O	ZINC000829561069	594640389	/nfs/dbraw/zinc/64/03/89/594640389.db2.gz	XILMVSVEKXVMTN-LBPRGKRZSA-N	-1	0	337.376	1.733	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000827156393	594648655	/nfs/dbraw/zinc/64/86/55/594648655.db2.gz	GMQLQOSMHFEVKF-INIZCTEOSA-N	-1	0	349.431	1.870	20	10		EDCDRM
O=C([O-])N1CCO[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000831708369	594694721	/nfs/dbraw/zinc/69/47/21/594694721.db2.gz	HDYFTUWEWVJLNZ-OAHLLOKOSA-N	-1	0	334.372	1.266	20	10		EDCDRM
CC(=O)NCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@H](C)C(=O)[O-]	ZINC000840997107	594836688	/nfs/dbraw/zinc/83/66/88/594836688.db2.gz	TZGRUBOQVFMNLA-VBROQKIQSA-N	-1	0	333.432	1.677	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c1O	ZINC000833400850	594841154	/nfs/dbraw/zinc/84/11/54/594841154.db2.gz	OPKGVILFUXGQJX-OAHLLOKOSA-N	-1	0	325.336	1.391	20	10		EDCDRM
O=C([O-])C1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC=CC1	ZINC000849364168	595512554	/nfs/dbraw/zinc/51/25/54/595512554.db2.gz	DVAUOPWDQBTSQE-UHFFFAOYSA-N	-1	0	348.374	1.700	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)[C@@](C)(OC)C(=O)[O-])cc1F	ZINC000852952159	595626347	/nfs/dbraw/zinc/62/63/47/595626347.db2.gz	UILROORYBQLGLY-MRXNPFEDSA-N	-1	0	326.368	1.778	20	10		EDCDRM
CC(C)O[C@]1(CS(=O)(=O)Nc2ccc(O)cc2F)CCOC1	ZINC000872361616	596895540	/nfs/dbraw/zinc/89/55/40/596895540.db2.gz	JUNWQVATJPSULB-CQSZACIVSA-N	-1	0	333.381	1.857	20	10		EDCDRM
COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1ccc(F)c(F)c1[O-]	ZINC000877183732	597455280	/nfs/dbraw/zinc/45/52/80/597455280.db2.gz	HPIGNCZXULWQNX-JOYOIKCWSA-N	-1	0	343.326	1.597	20	10		EDCDRM
CN(C)S(=O)(=O)[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1	ZINC000877514975	597529028	/nfs/dbraw/zinc/52/90/28/597529028.db2.gz	SCAVAJMZWUZWBY-NSHDSACASA-N	-1	0	334.388	1.526	20	10		EDCDRM
C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C(=O)[O-]	ZINC000739172255	603358371	/nfs/dbraw/zinc/35/83/71/603358371.db2.gz	KXOXXRWDZFACJY-CQSZACIVSA-N	-1	0	348.447	1.395	20	10		EDCDRM
C[C@H]1CS(=O)(=O)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000179770304	698336227	/nfs/dbraw/zinc/33/62/27/698336227.db2.gz	MNXJKLMUPGABOY-QMMMGPOBSA-N	-1	0	334.781	1.573	20	10		EDCDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cn1	ZINC000066578808	441546996	/nfs/dbraw/zinc/54/69/96/441546996.db2.gz	VXKBVVJJFVGKAR-UHFFFAOYSA-N	-1	0	344.418	1.075	20	10		EDCDRM
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000157581116	442594869	/nfs/dbraw/zinc/59/48/69/442594869.db2.gz	FOSQANMBFAEPIZ-SNVBAGLBSA-N	-1	0	334.781	1.573	20	10		EDCDRM
NC(=O)c1ccc(N2CCN(Cc3c(O)cccc3Cl)CC2)nc1	ZINC000271079120	443489290	/nfs/dbraw/zinc/48/92/90/443489290.db2.gz	PYOSZLIDZYISAD-UHFFFAOYSA-N	-1	0	346.818	1.862	20	10		EDCDRM
COC(=O)c1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c[nH]1	ZINC000341351436	444791110	/nfs/dbraw/zinc/79/11/10/444791110.db2.gz	GGZKKPQMIWZJHA-UHFFFAOYSA-N	-1	0	329.356	1.907	20	10		EDCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2cccnc2)nn1	ZINC000783708251	580604483	/nfs/dbraw/zinc/60/44/83/580604483.db2.gz	WTGZIXUVKDGNKC-CXUHLZMHSA-N	-1	0	346.350	1.183	20	10		EDCDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1	ZINC000023398201	590655398	/nfs/dbraw/zinc/65/53/98/590655398.db2.gz	KLRCAGFFHPCKME-UHFFFAOYSA-N	-1	0	345.402	1.464	20	10		EDCDRM
C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@@H](CO)O1	ZINC000894538598	591337368	/nfs/dbraw/zinc/33/73/68/591337368.db2.gz	SIPRNRHYTARZSA-KWQFWETISA-N	-1	0	334.185	1.875	20	10		EDCDRM
CC(=O)NCC[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H](C)C(=O)[O-]	ZINC000840996780	591373788	/nfs/dbraw/zinc/37/37/88/591373788.db2.gz	MCIGOUFSJKXEKC-QMMMGPOBSA-N	-1	0	332.759	1.596	20	10		EDCDRM
Cc1nn(C)c(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1Cl	ZINC000905016142	592368792	/nfs/dbraw/zinc/36/87/92/592368792.db2.gz	QSYJOPSLUYXSCG-XVNBXDOJSA-N	-1	0	331.806	1.668	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)ccc21	ZINC000901755661	592459388	/nfs/dbraw/zinc/45/93/88/592459388.db2.gz	VEXNHBFDDHJEFW-JKSUJKDBSA-N	-1	0	346.427	1.955	20	10		EDCDRM
C[C@H](C(=O)[O-])N(C)C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000908850822	592641792	/nfs/dbraw/zinc/64/17/92/592641792.db2.gz	DECPDEZYWPJDLT-GFCCVEGCSA-N	-1	0	337.445	1.854	20	10		EDCDRM
COc1ccc(N2CCN(c3nc(C(=O)[O-])co3)CC2)c(OC)c1	ZINC000910339432	592837740	/nfs/dbraw/zinc/83/77/40/592837740.db2.gz	CTIDFOIWJPRHCF-UHFFFAOYSA-N	-1	0	333.344	1.717	20	10		EDCDRM
C[C@H](OCc1ccncc1)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911487239	592928714	/nfs/dbraw/zinc/92/87/14/592928714.db2.gz	CDKHMHBQMUGILM-ZDUSSCGKSA-N	-1	0	344.367	1.806	20	10		EDCDRM
Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000911256073	592976507	/nfs/dbraw/zinc/97/65/07/592976507.db2.gz	ZKJJKIRXBGNRLV-AWEZNQCLSA-N	-1	0	336.775	1.923	20	10		EDCDRM
C[C@@H]1CN(Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CC(=O)N1	ZINC000840133834	593249302	/nfs/dbraw/zinc/24/93/02/593249302.db2.gz	MUBFPUVBKGTROC-GFCCVEGCSA-N	-1	0	340.379	1.649	20	10		EDCDRM
COc1c(O)cccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000810199646	593388494	/nfs/dbraw/zinc/38/84/94/593388494.db2.gz	NWRVMAQRNHFGJM-WEVVVXLNSA-N	-1	0	325.367	1.687	20	10		EDCDRM
NC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000813686292	593548610	/nfs/dbraw/zinc/54/86/10/593548610.db2.gz	XVZYDVNTXMMJCN-JTQLQIEISA-N	-1	0	332.187	1.858	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCCCCC(=O)[O-]	ZINC000817116722	593572454	/nfs/dbraw/zinc/57/24/54/593572454.db2.gz	YWSDLVOKGPWXRA-UHFFFAOYSA-N	-1	0	349.431	1.438	20	10		EDCDRM
C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000818029254	593659154	/nfs/dbraw/zinc/65/91/54/593659154.db2.gz	VGXSPEOCDDWISC-UKRRQHHQSA-N	-1	0	347.415	1.700	20	10		EDCDRM
Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)c(C)n1-c1ccc(F)cc1	ZINC000820287988	593806559	/nfs/dbraw/zinc/80/65/59/593806559.db2.gz	GUZZNRALMQHRDQ-UHFFFAOYSA-N	-1	0	331.307	1.620	20	10		EDCDRM
C[C@H](CS(=O)(=O)N1CCOc2cc(N(C)C)ccc21)C(=O)[O-]	ZINC000827546036	594229932	/nfs/dbraw/zinc/22/99/32/594229932.db2.gz	HLYRHPMOROMYQW-SNVBAGLBSA-N	-1	0	328.390	1.002	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCCO2)NC(=O)[O-])cc1	ZINC000828056248	594331784	/nfs/dbraw/zinc/33/17/84/594331784.db2.gz	OVZVIHRDSIXCJN-GJZGRUSLSA-N	-1	0	335.404	1.747	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000828072781	594335108	/nfs/dbraw/zinc/33/51/08/594335108.db2.gz	CJVFQEYBPJVBQS-NEPJUHHUSA-N	-1	0	333.388	1.914	20	10		EDCDRM
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C(=O)[O-]	ZINC000828362716	594401056	/nfs/dbraw/zinc/40/10/56/594401056.db2.gz	REJSBKLONDUNPL-CJNGLKHVSA-N	-1	0	329.400	1.925	20	10		EDCDRM
Cc1ccc(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c(O)c1O	ZINC000830816501	594486222	/nfs/dbraw/zinc/48/62/22/594486222.db2.gz	QIDVHMFSQDWUDE-AWEZNQCLSA-N	-1	0	346.305	1.689	20	10		EDCDRM
CCCN(CCNC(=O)NCc1cccc(OC)c1O)C(=O)[O-]	ZINC000833855126	594949959	/nfs/dbraw/zinc/94/99/59/594949959.db2.gz	NMRLKPPIEZDNJR-UHFFFAOYSA-N	-1	0	325.365	1.590	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)NC[C@H](NC(=O)[O-])C2CC2)cc1	ZINC000833874326	594954443	/nfs/dbraw/zinc/95/44/43/594954443.db2.gz	IDLAGRAIYNZBHU-HNNXBMFYSA-N	-1	0	334.420	1.940	20	10		EDCDRM
Cc1cc(CC(=O)NCCc2nc(=O)o[n-]2)c(C)n1-c1ccccc1	ZINC000834697925	595193395	/nfs/dbraw/zinc/19/33/95/595193395.db2.gz	SHHQNIMVIQLVBS-UHFFFAOYSA-N	-1	0	340.383	1.672	20	10		EDCDRM
CC(C)OC[C@H](CO)N(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000844216188	595304265	/nfs/dbraw/zinc/30/42/65/595304265.db2.gz	CAHUQRZPMGJWGB-VGVVRCBHSA-N	-1	0	338.360	1.915	20	10		EDCDRM
C[C@H](NC(=O)C1(C(=O)[O-])CCC1)c1ccc(N2CCOCC2)cc1	ZINC000852951260	595625596	/nfs/dbraw/zinc/62/55/96/595625596.db2.gz	QHWCIZBXLIAWKM-ZDUSSCGKSA-N	-1	0	332.400	1.955	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H]2CCSC2)cc1	ZINC000853008133	595640220	/nfs/dbraw/zinc/64/02/20/595640220.db2.gz	KDCHVVQGVDXUKR-GFCCVEGCSA-N	-1	0	338.429	1.456	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)c2cscn2)cc1	ZINC000853011532	595641812	/nfs/dbraw/zinc/64/18/12/595641812.db2.gz	XMEWCTYSDXRKIK-LLVKDONJSA-N	-1	0	349.412	1.920	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)C2)cc1	ZINC000851651525	595868608	/nfs/dbraw/zinc/86/86/08/595868608.db2.gz	LZCHFFCOYKHSGY-CJNGLKHVSA-N	-1	0	349.431	1.930	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1	ZINC000872983293	597150399	/nfs/dbraw/zinc/15/03/99/597150399.db2.gz	DIOGUDDSEMLKFP-KBPBESRZSA-N	-1	0	348.399	1.081	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@]2(C)CCO[C@@H]2C)cc1	ZINC000872986099	597151463	/nfs/dbraw/zinc/15/14/63/597151463.db2.gz	RMBOZFQOYSWLDD-SJKOYZFVSA-N	-1	0	336.388	1.270	20	10		EDCDRM
O=S1(=O)CCN(Cc2ccc(F)c(F)c2[O-])[C@@H]2CCOC[C@@H]21	ZINC000877585046	597538740	/nfs/dbraw/zinc/53/87/40/597538740.db2.gz	OLZXZHDXBKLRND-NEPJUHHUSA-N	-1	0	333.356	1.058	20	10		EDCDRM
CCNC(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000129186472	597686109	/nfs/dbraw/zinc/68/61/09/597686109.db2.gz	GKKVCUSYVABVNW-UHFFFAOYSA-N	-1	0	346.258	1.953	20	10		EDCDRM
O=S(=O)(NC1CC1)[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000373812419	250245531	/nfs/dbraw/zinc/24/55/31/250245531.db2.gz	LUJYUHXWQXXIEZ-JTQLQIEISA-N	-1	0	348.827	1.841	20	10		EDCDRM
COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000378337288	447418297	/nfs/dbraw/zinc/41/82/97/447418297.db2.gz	ARDLBJNNOJJFBV-PWSUYJOCSA-N	-1	0	344.751	1.716	20	10		EDCDRM
COCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C)C(N)=O	ZINC000093137832	441859626	/nfs/dbraw/zinc/85/96/26/441859626.db2.gz	BPKNGPKOYDLZTA-MRVPVSSYSA-N	-1	0	331.756	1.276	20	10		EDCDRM
CC(C)N(CC(=O)[O-])C(=O)/C=C/c1ccc(N2CCOCC2)cc1	ZINC000190755657	443177071	/nfs/dbraw/zinc/17/70/71/443177071.db2.gz	QGEXKBURUPIZDX-VMPITWQZSA-N	-1	0	332.400	1.858	20	10		EDCDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]nc2C)cc1	ZINC000264788976	443425906	/nfs/dbraw/zinc/42/59/06/443425906.db2.gz	RYVZURRKSCTFJR-UHFFFAOYSA-N	-1	0	344.418	1.281	20	10		EDCDRM
COc1c(O)c(C[NH2+][C@H]2COc3ccccc3[C@H]2O)ccc1[N+](=O)[O-]	ZINC000367656608	446571051	/nfs/dbraw/zinc/57/10/51/446571051.db2.gz	DLCWLRTUHNWIAT-BLLLJJGKSA-N	-1	0	346.339	1.893	20	10		EDCDRM
Cc1cc(C(=O)N(C)Cc2ccccc2O)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000740750562	579384500	/nfs/dbraw/zinc/38/45/00/579384500.db2.gz	WEYGQQLBLUQTQB-UHFFFAOYSA-N	-1	0	340.339	1.722	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)C(C)(C)NC(=O)[O-])CC2)cc1	ZINC000738021494	579150819	/nfs/dbraw/zinc/15/08/19/579150819.db2.gz	IZCKSMKEEGBYRQ-UHFFFAOYSA-N	-1	0	335.404	1.826	20	10		EDCDRM
CCN(CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739387367	579199054	/nfs/dbraw/zinc/19/90/54/579199054.db2.gz	WMHHHAMDNPHKIS-AWEZNQCLSA-N	-1	0	336.388	1.900	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)[C@H]3COCCN3C(=O)[O-])ccc21	ZINC000739730776	579242787	/nfs/dbraw/zinc/24/27/87/579242787.db2.gz	KSDTZFIFYYDJTM-OAHLLOKOSA-N	-1	0	333.388	1.064	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000740079169	579287716	/nfs/dbraw/zinc/28/77/16/579287716.db2.gz	YEKSYGIURDENHD-MRXNPFEDSA-N	-1	0	349.431	1.836	20	10		EDCDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCCF)c(C)n1-c1ccccn1	ZINC000747137670	579630485	/nfs/dbraw/zinc/63/04/85/579630485.db2.gz	MHTUZDXJSOJIPW-UHFFFAOYSA-N	-1	0	339.392	1.908	20	10		EDCDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(O)c(O)c1	ZINC000768917540	580224186	/nfs/dbraw/zinc/22/41/86/580224186.db2.gz	NAAWZRZFQOHPDF-UHFFFAOYSA-N	-1	0	336.369	1.399	20	10		EDCDRM
CCNC(=O)CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775648371	580396226	/nfs/dbraw/zinc/39/62/26/580396226.db2.gz	GIBNGSLVZXIUGI-UHFFFAOYSA-N	-1	0	329.803	1.438	20	10		EDCDRM
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(O)c(C)c1	ZINC000776748607	580427734	/nfs/dbraw/zinc/42/77/34/580427734.db2.gz	SYSCYEDCDBWMCJ-UHFFFAOYSA-N	-1	0	325.346	1.320	20	10		EDCDRM
CN(C)CC(=O)Nc1ccc(NC(=O)c2c(F)ccc(O)c2[O-])cc1	ZINC000789991528	580758869	/nfs/dbraw/zinc/75/88/69/580758869.db2.gz	XYPMBSYZDQDHDC-UHFFFAOYSA-N	-1	0	347.346	1.989	20	10		EDCDRM
COCCCN(Cc1cc(F)cc(F)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000893910350	591134389	/nfs/dbraw/zinc/13/43/89/591134389.db2.gz	DNHNHZPGXDNZIU-CYBMUJFWSA-N	-1	0	349.399	1.696	20	10		EDCDRM
C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@H](CO)O1	ZINC000894538596	591337156	/nfs/dbraw/zinc/33/71/56/591337156.db2.gz	SIPRNRHYTARZSA-GZMMTYOYSA-N	-1	0	334.185	1.875	20	10		EDCDRM
CS(=O)(=O)C1CN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000894962709	591503932	/nfs/dbraw/zinc/50/39/32/591503932.db2.gz	JNNQRJKPCKRABO-UHFFFAOYSA-N	-1	0	338.198	1.523	20	10		EDCDRM
CN1CCO[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC000908213709	592388431	/nfs/dbraw/zinc/38/84/31/592388431.db2.gz	YCDPIAFXKWGUMW-LLVKDONJSA-N	-1	0	333.171	1.172	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)c2cccn(CC(=O)[O-])c2=O)cc1	ZINC000901605240	592410235	/nfs/dbraw/zinc/41/02/35/592410235.db2.gz	PEMKFRALRVSSMW-UHFFFAOYSA-N	-1	0	343.383	1.271	20	10		EDCDRM
O=C([O-])C1(C(=O)NCc2ccc(N3CCCC3)cc2)CCOCC1	ZINC000911221495	592962164	/nfs/dbraw/zinc/96/21/64/592962164.db2.gz	GVUNTQAKXLKYLD-UHFFFAOYSA-N	-1	0	332.400	1.784	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)cc1F	ZINC000911300232	592984382	/nfs/dbraw/zinc/98/43/82/592984382.db2.gz	HGXPRXPKGNVWSM-DOMZBBRYSA-N	-1	0	338.379	1.920	20	10		EDCDRM
Cn1nnc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000805387914	593444095	/nfs/dbraw/zinc/44/40/95/593444095.db2.gz	DFQRQGLSTLJPFI-UHFFFAOYSA-N	-1	0	331.163	1.222	20	10		EDCDRM
NC(=O)c1nccnc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000813683160	593548242	/nfs/dbraw/zinc/54/82/42/593548242.db2.gz	VPURFLHFEMRKLE-UHFFFAOYSA-N	-1	0	341.154	1.518	20	10		EDCDRM
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000817115445	593572276	/nfs/dbraw/zinc/57/22/76/593572276.db2.gz	QHMWQHJSTYZUIS-CYBMUJFWSA-N	-1	0	349.431	1.041	20	10		EDCDRM
C[C@H](NC(=O)NCCCC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000818034152	593659472	/nfs/dbraw/zinc/65/94/72/593659472.db2.gz	MSYPAXKNWLXZGS-ZDUSSCGKSA-N	-1	0	335.404	1.748	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H](C(=O)[O-])C3)C2)cc1	ZINC000818625181	593708469	/nfs/dbraw/zinc/70/84/69/593708469.db2.gz	VSXGCXHGQIPIQY-KGLIPLIRSA-N	-1	0	347.415	1.638	20	10		EDCDRM
O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1cc(-c2nn[nH]n2)cs1	ZINC000823547629	594215907	/nfs/dbraw/zinc/21/59/07/594215907.db2.gz	LSWDJNXLEVDPKH-GHXNOFRVSA-N	-1	0	338.352	1.390	20	10		EDCDRM
COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)N1CC[C@H](C)C1	ZINC000830156744	594346760	/nfs/dbraw/zinc/34/67/60/594346760.db2.gz	XTSROATTXWRBKF-QMMMGPOBSA-N	-1	0	332.353	1.316	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(C(=O)[O-])n1	ZINC000830643531	594446017	/nfs/dbraw/zinc/44/60/17/594446017.db2.gz	HTMFODWCQXAHFI-UHFFFAOYSA-N	-1	0	327.340	1.885	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)C3(NC(=O)[O-])CC3)CC2)cc1	ZINC000829424643	594611849	/nfs/dbraw/zinc/61/18/49/594611849.db2.gz	QTURBGZMYDIQLT-UHFFFAOYSA-N	-1	0	333.388	1.580	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000832888893	594783123	/nfs/dbraw/zinc/78/31/23/594783123.db2.gz	NRDCAZSMNHPOAR-UHFFFAOYSA-N	-1	0	337.401	1.566	20	10		EDCDRM
Cc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1C(=O)[O-]	ZINC000832938299	594786069	/nfs/dbraw/zinc/78/60/69/594786069.db2.gz	JPCZRZFPUJGMIY-UHFFFAOYSA-N	-1	0	328.324	1.654	20	10		EDCDRM
O=C([O-])c1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1F	ZINC000833146755	594801173	/nfs/dbraw/zinc/80/11/73/594801173.db2.gz	KMWNYRRBGWYCCH-UHFFFAOYSA-N	-1	0	332.287	1.484	20	10		EDCDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	ZINC000833815666	594936911	/nfs/dbraw/zinc/93/69/11/594936911.db2.gz	AXUKQJFDRCJJOG-IAQYHMDHSA-N	-1	0	325.384	1.749	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN(C(=O)[O-])C1CC1	ZINC000833874747	594954416	/nfs/dbraw/zinc/95/44/16/594954416.db2.gz	YFMZDWUKQJYWMQ-UHFFFAOYSA-N	-1	0	347.415	1.624	20	10		EDCDRM
O=C([O-])Nc1cnc(C(=O)NCCCSc2nccs2)cn1	ZINC000834278971	595078336	/nfs/dbraw/zinc/07/83/36/595078336.db2.gz	GCSIDPNIKZJSAW-UHFFFAOYSA-N	-1	0	339.402	1.935	20	10		EDCDRM
COC(=O)[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@H](C)O1	ZINC000846059880	595132393	/nfs/dbraw/zinc/13/23/93/595132393.db2.gz	MLXRBYUJNOMXDG-CABZTGNLSA-N	-1	0	344.205	1.917	20	10		EDCDRM
CN(CC1CCS(=O)(=O)CC1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279395	595195785	/nfs/dbraw/zinc/19/57/85/595195785.db2.gz	BUIQGHSJYOTUEK-UHFFFAOYSA-N	-1	0	327.402	1.411	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CCO[C@@H](C(=O)C3CC3)C2)c([N+](=O)[O-])c1	ZINC000844212792	595303562	/nfs/dbraw/zinc/30/35/62/595303562.db2.gz	BEADYTSNLUIJGC-ANPLFTBSSA-N	-1	0	346.339	1.877	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)C3(C(=O)[O-])CC=CC3)C2)cc1	ZINC000852954947	595627708	/nfs/dbraw/zinc/62/77/08/595627708.db2.gz	YHDYDPYEMVXISF-ZDUSSCGKSA-N	-1	0	330.384	1.811	20	10		EDCDRM
O=C([O-])[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000851653253	595869012	/nfs/dbraw/zinc/86/90/12/595869012.db2.gz	DOMVLWLGCJHWRC-CQSZACIVSA-N	-1	0	347.415	1.264	20	10		EDCDRM
CO[C@@H](CC(C)C)CS(=O)(=O)[N-]N=c1[nH]c2cccnc2s1	ZINC000857225819	596190937	/nfs/dbraw/zinc/19/09/37/596190937.db2.gz	SGNXBAQZGUHTDI-JTQLQIEISA-N	-1	0	344.462	1.999	20	10		EDCDRM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000014223827	596390745	/nfs/dbraw/zinc/39/07/45/596390745.db2.gz	CFHYFCRWWKHHGJ-UHFFFAOYSA-N	-1	0	332.341	1.982	20	10		EDCDRM
CC(C)OCc1cc([N-]S(=O)(=O)c2cnnn2C)ccc1O	ZINC000863410721	596574337	/nfs/dbraw/zinc/57/43/37/596574337.db2.gz	IYUGVOUANYUSLL-UHFFFAOYSA-N	-1	0	326.378	1.247	20	10		EDCDRM
C[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000874388699	597053996	/nfs/dbraw/zinc/05/39/96/597053996.db2.gz	ZOLSHWMOUXYFHQ-AEGPPILISA-N	-1	0	347.415	1.747	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2)cc1	ZINC000874404081	597062950	/nfs/dbraw/zinc/06/29/50/597062950.db2.gz	AUIDMKJSJAXUDY-IHRRRGAJSA-N	-1	0	347.415	1.684	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC[C@@H]3C(=O)[O-])C2)cc1	ZINC000872876761	597106544	/nfs/dbraw/zinc/10/65/44/597106544.db2.gz	AXXMXRVNBCVBMY-RCBQFDQVSA-N	-1	0	332.400	1.891	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC(C2CC2)C2CC2)cc1	ZINC000872889602	597112461	/nfs/dbraw/zinc/11/24/61/597112461.db2.gz	LELUBAKMDHMCFD-UHFFFAOYSA-N	-1	0	332.400	1.891	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCOC[C@@H]2C2CC2)cc1	ZINC000872971585	597145107	/nfs/dbraw/zinc/14/51/07/597145107.db2.gz	PGKXBWALKWXBAO-MRXNPFEDSA-N	-1	0	348.399	1.224	20	10		EDCDRM
O=C([C@H]1CCCO1)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000876536242	597232737	/nfs/dbraw/zinc/23/27/37/597232737.db2.gz	AFJCDCYXZSVBHH-CYBMUJFWSA-N	-1	0	326.343	1.494	20	10		EDCDRM
CCc1nc(CN2CCN(Cc3ccc(F)c(F)c3[O-])CC2)no1	ZINC000876721821	597305766	/nfs/dbraw/zinc/30/57/66/597305766.db2.gz	UGOFJJMIRSITOQ-UHFFFAOYSA-N	-1	0	338.358	1.934	20	10		EDCDRM
COCCOCCN1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000877615309	597541834	/nfs/dbraw/zinc/54/18/34/597541834.db2.gz	PAVMDHPMXPDRSO-UHFFFAOYSA-N	-1	0	330.375	1.451	20	10		EDCDRM
CC(C)n1nnnc1CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000738889365	602649347	/nfs/dbraw/zinc/64/93/47/602649347.db2.gz	HPTUIPSIBYOONW-UHFFFAOYSA-N	-1	0	330.392	1.974	20	10		EDCDRM
COCCN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O	ZINC000181574367	532967251	/nfs/dbraw/zinc/96/72/51/532967251.db2.gz	IDTVNGMYZASJFH-UHFFFAOYSA-N	-1	0	343.767	1.244	20	10		EDCDRM
O=C1N[C@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N2CCSC[C@@H]12	ZINC000270789766	304685235	/nfs/dbraw/zinc/68/52/35/304685235.db2.gz	LHJXMCVLNJSRST-ONGXEEELSA-N	-1	0	329.765	1.500	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc1F	ZINC000277158481	443922214	/nfs/dbraw/zinc/92/22/14/443922214.db2.gz	LLAVSXRMCFRLRQ-UHFFFAOYSA-N	-1	0	349.328	1.965	20	10		EDCDRM
C[C@H]1OCCN2[C@@H](c3cc(Cl)cc([N+](=O)[O-])c3[O-])NC(=O)[C@H]12	ZINC000285306894	443935372	/nfs/dbraw/zinc/93/53/72/443935372.db2.gz	YRHHKCYCQOZRAW-HUABCPSTSA-N	-1	0	327.724	1.172	20	10		EDCDRM
COc1c(O)c(C[N@@H+]2CCC[C@@H](OCCO)C2)ccc1[N+](=O)[O-]	ZINC000278234174	444120741	/nfs/dbraw/zinc/12/07/41/444120741.db2.gz	NCACIATYZVKAJQ-GFCCVEGCSA-N	-1	0	326.349	1.282	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](NC(=O)[O-])C2)cc1	ZINC000739711020	579239763	/nfs/dbraw/zinc/23/97/63/579239763.db2.gz	YJEQXXPNKSPPNG-CQSZACIVSA-N	-1	0	334.420	1.053	20	10		EDCDRM
CCOC(=O)CCCS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776434445	580417189	/nfs/dbraw/zinc/41/71/89/580417189.db2.gz	GEDCNOUVVSGSBN-UHFFFAOYSA-N	-1	0	331.346	1.175	20	10		EDCDRM
O=C([O-])CN(C(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	ZINC000780444756	580522690	/nfs/dbraw/zinc/52/26/90/580522690.db2.gz	WTIFOOSPZGPAFW-UHFFFAOYSA-N	-1	0	349.456	1.998	20	10		EDCDRM
CNC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	ZINC000896293771	591417396	/nfs/dbraw/zinc/41/73/96/591417396.db2.gz	FPYLNKTWQQEKPI-SECBINFHSA-N	-1	0	334.397	1.911	20	10		EDCDRM
C[C@@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1ccc(N2CCOCC2)cc1	ZINC000901950394	591874190	/nfs/dbraw/zinc/87/41/90/591874190.db2.gz	NARAOKXOFJXSMU-VFVRVIDISA-N	-1	0	332.400	1.811	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@]23C[C@H]2CCC3)cc1	ZINC000899847234	591959103	/nfs/dbraw/zinc/95/91/03/591959103.db2.gz	NGJABPHSQGNWAS-ACJLOTCBSA-N	-1	0	332.400	1.893	20	10		EDCDRM
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn(CC(=O)[O-])nn1	ZINC000901609141	592412044	/nfs/dbraw/zinc/41/20/44/592412044.db2.gz	ZWWOFOHRCDEHRC-UHFFFAOYSA-N	-1	0	345.403	1.480	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)NC3(C(=O)[O-])CCC3)C2)cc1	ZINC000909132667	592737725	/nfs/dbraw/zinc/73/77/25/592737725.db2.gz	XDQMYORESWHVFS-ZDUSSCGKSA-N	-1	0	347.415	1.828	20	10		EDCDRM
COc1ccc(N2CCCN(c3cc(C(=O)[O-])ncn3)CC2)cc1	ZINC000906140767	592752254	/nfs/dbraw/zinc/75/22/54/592752254.db2.gz	TZOAQJIERTXJGB-UHFFFAOYSA-N	-1	0	328.372	1.900	20	10		EDCDRM
COCc1nc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)cs1	ZINC000911485302	592928319	/nfs/dbraw/zinc/92/83/19/592928319.db2.gz	WJPVBEYXRZJDIX-UHFFFAOYSA-N	-1	0	336.369	1.722	20	10		EDCDRM
CO[C@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1O)C(F)(F)F	ZINC000911494692	592930830	/nfs/dbraw/zinc/93/08/30/592930830.db2.gz	WRXVBAPROZUQOC-LLVKDONJSA-N	-1	0	335.278	1.773	20	10		EDCDRM
C[C@@H]1OCC[C@@H]1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360015	593005760	/nfs/dbraw/zinc/00/57/60/593005760.db2.gz	KXJLFWNQVZHMES-CABZTGNLSA-N	-1	0	327.764	1.884	20	10		EDCDRM
COC1CC(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1	ZINC000911360242	593005888	/nfs/dbraw/zinc/00/58/88/593005888.db2.gz	PWJNWMPXJTZJOJ-UHFFFAOYSA-N	-1	0	327.764	1.884	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc2n1CCC2	ZINC000911360000	593005926	/nfs/dbraw/zinc/00/59/26/593005926.db2.gz	KDEFJCCFFNVFNF-UHFFFAOYSA-N	-1	0	349.774	1.915	20	10		EDCDRM
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000839919075	593213535	/nfs/dbraw/zinc/21/35/35/593213535.db2.gz	FFUISOQFKKURJF-LLVKDONJSA-N	-1	0	349.460	1.724	20	10		EDCDRM
CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000816487382	593526766	/nfs/dbraw/zinc/52/67/66/593526766.db2.gz	LFXKUGYSIBZQNM-SNVBAGLBSA-N	-1	0	336.816	1.698	20	10		EDCDRM
C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C(=O)[O-]	ZINC000826007567	594304842	/nfs/dbraw/zinc/30/48/42/594304842.db2.gz	MFGGDSOAOCOYKJ-CYBMUJFWSA-N	-1	0	346.431	1.963	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2cncc(O)c2)NC(=O)[O-])cc1	ZINC000828064761	594333782	/nfs/dbraw/zinc/33/37/82/594333782.db2.gz	XJLUBLKXZVAHAC-HNNXBMFYSA-N	-1	0	344.371	1.592	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCN(C(=O)[O-])CC1	ZINC000828073991	594335673	/nfs/dbraw/zinc/33/56/73/594335673.db2.gz	QXIKKHZOSYBVEZ-UHFFFAOYSA-N	-1	0	333.388	1.868	20	10		EDCDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000830155296	594346774	/nfs/dbraw/zinc/34/67/74/594346774.db2.gz	DXJNVXGXPOZLGS-MRVPVSSYSA-N	-1	0	333.337	1.239	20	10		EDCDRM
COC(=O)/C=C/c1ccc(N2CCN(C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000828646309	594471586	/nfs/dbraw/zinc/47/15/86/594471586.db2.gz	HKEQJMVELHXVMX-MALLOTDXSA-N	-1	0	349.343	1.970	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)N3CCO[C@H](CC(=O)[O-])C3)ccc21	ZINC000830946728	594520903	/nfs/dbraw/zinc/52/09/03/594520903.db2.gz	VNQSAQNDFLDONB-OAHLLOKOSA-N	-1	0	347.415	1.454	20	10		EDCDRM
CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc(Cl)c(F)cc1[O-]	ZINC000827159207	594649353	/nfs/dbraw/zinc/64/93/53/594649353.db2.gz	ZQZFYRILKWBSJY-UHFFFAOYSA-N	-1	0	331.819	1.637	20	10		EDCDRM
NC(=O)C[C@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000833080481	594796241	/nfs/dbraw/zinc/79/62/41/594796241.db2.gz	SERFZNARULSGJZ-FVOPLDGLSA-N	-1	0	333.344	1.784	20	10		EDCDRM
C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000843256792	595054090	/nfs/dbraw/zinc/05/40/90/595054090.db2.gz	HYPWVWQBFKIJIC-FPMFFAJLSA-N	-1	0	347.415	1.299	20	10		EDCDRM
C[C@@H]1c2nncn2CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000844214036	595303662	/nfs/dbraw/zinc/30/36/62/595303662.db2.gz	NPWMPBZIHDVTMA-RXNUUUNCSA-N	-1	0	329.316	1.865	20	10		EDCDRM
COc1ccc(N(C)CCN(C)C(=O)c2ccc(C(=O)[O-])cn2)cc1	ZINC000846716589	595306049	/nfs/dbraw/zinc/30/60/49/595306049.db2.gz	NLVICRIMRIIQJG-UHFFFAOYSA-N	-1	0	343.383	1.997	20	10		EDCDRM
C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000848587899	595410755	/nfs/dbraw/zinc/41/07/55/595410755.db2.gz	ZAXLXLJEZYCQRL-ZDUSSCGKSA-N	-1	0	335.404	1.385	20	10		EDCDRM
Nc1ccc(Cc2nc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cs2)cc1	ZINC000844931254	595416096	/nfs/dbraw/zinc/41/60/96/595416096.db2.gz	CIMUAPOPTDZIOW-LLVKDONJSA-N	-1	0	331.397	1.863	20	10		EDCDRM
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000848610851	595417487	/nfs/dbraw/zinc/41/74/87/595417487.db2.gz	QWTXLPSFPNWHBY-LBPRGKRZSA-N	-1	0	336.388	1.358	20	10		EDCDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852950307	595624828	/nfs/dbraw/zinc/62/48/28/595624828.db2.gz	HANUVSGQULBWQN-GOSISDBHSA-N	-1	0	332.400	1.640	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)cc1F	ZINC000852952470	595626423	/nfs/dbraw/zinc/62/64/23/595626423.db2.gz	YMJLBUAFNSFOIE-UHFFFAOYSA-N	-1	0	336.363	1.738	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cc(C)ncn2)cc1	ZINC000853007192	595640053	/nfs/dbraw/zinc/64/00/53/595640053.db2.gz	QVCLXUSHRASCMC-UHFFFAOYSA-N	-1	0	344.371	1.001	20	10		EDCDRM
Cn1ccnc1C(NCc1cc([N+](=O)[O-])ccc1[O-])c1nccn1C	ZINC000858224007	595735665	/nfs/dbraw/zinc/73/56/65/595735665.db2.gz	TXYAAFHWRXJNSH-UHFFFAOYSA-N	-1	0	342.359	1.647	20	10		EDCDRM
O=C([O-])c1ccc(F)c(/C=C2/SC(N3CCOCC3)=NC2=O)c1	ZINC000865218014	596516410	/nfs/dbraw/zinc/51/64/10/596516410.db2.gz	PWCSZPFATJAADW-XYOKQWHBSA-N	-1	0	336.344	1.826	20	10		EDCDRM
CCO[C@@H](CS(=O)(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC1	ZINC000863406490	596572986	/nfs/dbraw/zinc/57/29/86/596572986.db2.gz	DIDQIIRQWSENIY-ZDUSSCGKSA-N	-1	0	330.362	1.857	20	10		EDCDRM
O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000268876388	600160161	/nfs/dbraw/zinc/16/01/61/600160161.db2.gz	BGVISOSXNHOGOZ-CVEARBPZSA-N	-1	0	332.400	1.232	20	10		EDCDRM
C[C@]1(C(=O)[O-])CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1	ZINC000191041357	443229968	/nfs/dbraw/zinc/22/99/68/443229968.db2.gz	YHQBLHNVUWKBDC-QTWIXLPOSA-N	-1	0	344.411	1.860	20	10		EDCDRM
CS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000282787101	443434375	/nfs/dbraw/zinc/43/43/75/443434375.db2.gz	QUUOZFRTRIABBZ-JTQLQIEISA-N	-1	0	334.781	1.573	20	10		EDCDRM
COCCn1c(C)c(C)c2cc(C(=O)NCCNC(=O)[O-])ccc21	ZINC000739840189	579257998	/nfs/dbraw/zinc/25/79/98/579257998.db2.gz	MOSHHUWBOFNRJL-UHFFFAOYSA-N	-1	0	333.388	1.902	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](CNC(=O)[O-])C2CC2)c1	ZINC000739925267	579268700	/nfs/dbraw/zinc/26/87/00/579268700.db2.gz	KGPBYGIPYBGMIY-RNCFNFMXSA-N	-1	0	337.376	1.807	20	10		EDCDRM
Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)c(C)n1-c1ccc(F)cc1	ZINC000748056656	579667926	/nfs/dbraw/zinc/66/79/26/579667926.db2.gz	CVXYVXLPPLFTML-UHFFFAOYSA-N	-1	0	329.335	1.987	20	10		EDCDRM
C[C@@H]1C[C@H](C)CN(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000775289283	580387403	/nfs/dbraw/zinc/38/74/03/580387403.db2.gz	UDZXYMSXRYYCIN-AOOOYVTPSA-N	-1	0	329.378	1.935	20	10		EDCDRM
COC(=O)c1cn(C2CN(Cc3cc(Cl)cc(F)c3[O-])C2)nn1	ZINC000779614615	580491440	/nfs/dbraw/zinc/49/14/40/580491440.db2.gz	XAOFJXZIPZRLRI-UHFFFAOYSA-N	-1	0	340.742	1.620	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1F	ZINC000780490465	580524513	/nfs/dbraw/zinc/52/45/13/580524513.db2.gz	WNTGTGPQOFMZBL-JTQLQIEISA-N	-1	0	333.310	1.799	20	10		EDCDRM
C[C@H](NCc1nnn(C)n1)c1cc(Br)cc(F)c1[O-]	ZINC000787045717	580686542	/nfs/dbraw/zinc/68/65/42/580686542.db2.gz	ZEOYGABMKMFNOT-LURJTMIESA-N	-1	0	330.161	1.668	20	10		EDCDRM
C[C@H]1C(=O)N(C)CCN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894498348	591325681	/nfs/dbraw/zinc/32/56/81/591325681.db2.gz	XEZUISZMIHQQBX-QMMMGPOBSA-N	-1	0	331.185	1.956	20	10		EDCDRM
CC(=O)NCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H](C)C(=O)[O-]	ZINC000840997103	591378897	/nfs/dbraw/zinc/37/88/97/591378897.db2.gz	TXHOBUGFPUISGN-QMMMGPOBSA-N	-1	0	332.759	1.596	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1F	ZINC000901755014	592459932	/nfs/dbraw/zinc/45/99/32/592459932.db2.gz	OLYLBFOLGUPHQJ-CHWSQXEVSA-N	-1	0	338.379	1.778	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@H](CC2CCOCC2)C(=O)[O-])cc1	ZINC000908758908	592601404	/nfs/dbraw/zinc/60/14/04/592601404.db2.gz	SOVRCRYQNMXWQU-MRXNPFEDSA-N	-1	0	349.431	1.822	20	10		EDCDRM
Cc1cn(C)nc1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360847	593006198	/nfs/dbraw/zinc/00/61/98/593006198.db2.gz	ZGXDXTHJFIYFOP-UHFFFAOYSA-N	-1	0	337.763	1.815	20	10		EDCDRM
O=C(CCN1C(=O)CCC1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807835655	593202951	/nfs/dbraw/zinc/20/29/51/593202951.db2.gz	ZBXIBFSIJGEXGN-UHFFFAOYSA-N	-1	0	345.182	1.854	20	10		EDCDRM
C[C@H]1CN(Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CC(=O)N1	ZINC000840133837	593249308	/nfs/dbraw/zinc/24/93/08/593249308.db2.gz	MUBFPUVBKGTROC-LBPRGKRZSA-N	-1	0	340.379	1.649	20	10		EDCDRM
COCCO[N-]C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	ZINC000805023429	593327151	/nfs/dbraw/zinc/32/71/51/593327151.db2.gz	UGPMYDPHAQVQAK-UHFFFAOYSA-N	-1	0	349.431	1.233	20	10		EDCDRM
COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000828646699	594471606	/nfs/dbraw/zinc/47/16/06/594471606.db2.gz	KYJDTMWMBFGPOY-FVOPLDGLSA-N	-1	0	349.343	1.970	20	10		EDCDRM
CC[C@H](C)[C@@H](NC(=O)CN(C)c1ccc(OC)c(F)c1)C(=O)[O-]	ZINC000828708719	594484260	/nfs/dbraw/zinc/48/42/60/594484260.db2.gz	MMQKHQOUIUVVKY-ZUZCIYMTSA-N	-1	0	326.368	1.886	20	10		EDCDRM
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000827051785	594631099	/nfs/dbraw/zinc/63/10/99/594631099.db2.gz	HHHZBLDYUGHHKY-HZPDHXFCSA-N	-1	0	349.431	1.604	20	10		EDCDRM
COc1cccc(CNC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)c1O	ZINC000829560752	594640240	/nfs/dbraw/zinc/64/02/40/594640240.db2.gz	UAPVJMHSNODGEO-LLVKDONJSA-N	-1	0	337.376	1.590	20	10		EDCDRM
O=C([O-])c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nn1	ZINC000844207629	595302165	/nfs/dbraw/zinc/30/21/65/595302165.db2.gz	KHUCAZOHZOTNGK-UHFFFAOYSA-N	-1	0	346.362	1.887	20	10		EDCDRM
CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000848612586	595417910	/nfs/dbraw/zinc/41/79/10/595417910.db2.gz	RPGUGDQWPAGTTN-HNNXBMFYSA-N	-1	0	349.431	1.184	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)C2)cc1	ZINC000852954466	595627539	/nfs/dbraw/zinc/62/75/39/595627539.db2.gz	IHGCUDICCQNJSP-HZSPNIEDSA-N	-1	0	332.400	1.891	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)C2)cc1	ZINC000851651527	595868324	/nfs/dbraw/zinc/86/83/24/595868324.db2.gz	LZCHFFCOYKHSGY-XJKSGUPXSA-N	-1	0	349.431	1.930	20	10		EDCDRM
COC(=O)c1ccoc1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1	ZINC000866424426	596883883	/nfs/dbraw/zinc/88/38/83/596883883.db2.gz	HWHBSXXEYPJZHG-UHFFFAOYSA-N	-1	0	338.385	1.611	20	10		EDCDRM
CCO[C@@H](CS(=O)(=O)[N-]N=c1[nH]c2ccncc2s1)C1CC1	ZINC000872384459	596896521	/nfs/dbraw/zinc/89/65/21/596896521.db2.gz	IIZSMXTVQHQFME-NSHDSACASA-N	-1	0	342.446	1.753	20	10		EDCDRM
C[C@H]1CN(Cc2cccc(Br)c2[O-])CCS1(=O)=O	ZINC000127936614	597685217	/nfs/dbraw/zinc/68/52/17/597685217.db2.gz	FLFDQCJZESEETG-VIFPVBQESA-N	-1	0	334.235	1.774	20	10		EDCDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000268876390	600160168	/nfs/dbraw/zinc/16/01/68/600160168.db2.gz	BGVISOSXNHOGOZ-HOTGVXAUSA-N	-1	0	332.400	1.232	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CCCS(=O)(=O)CC2)c([N+](=O)[O-])c1	ZINC000322601493	600363076	/nfs/dbraw/zinc/36/30/76/600363076.db2.gz	IMCKUSXMBAOTEY-HWKANZROSA-N	-1	0	340.357	1.318	20	10		EDCDRM
CCC[C@@](C)(NC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000739291158	602135656	/nfs/dbraw/zinc/13/56/56/602135656.db2.gz	LOLRDLFVLDEGON-GOSISDBHSA-N	-1	0	349.431	1.966	20	10		EDCDRM
CS(=O)(=O)N[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000093531137	237025582	/nfs/dbraw/zinc/02/55/82/237025582.db2.gz	MSIHPWYLUYXVQO-SNVBAGLBSA-N	-1	0	339.244	1.823	20	10		EDCDRM
COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000159815775	441839903	/nfs/dbraw/zinc/83/99/03/441839903.db2.gz	ITGRBHCGWJWRKL-LLVKDONJSA-N	-1	0	347.198	1.563	20	10		EDCDRM
CO[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	ZINC000378630927	447448375	/nfs/dbraw/zinc/44/83/75/447448375.db2.gz	IJZMFOUPZNPWOA-GFCCVEGCSA-N	-1	0	342.417	1.405	20	10		EDCDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000189423920	442949666	/nfs/dbraw/zinc/94/96/66/442949666.db2.gz	DQEVFHGAVIRMMB-UHFFFAOYSA-N	-1	0	331.781	1.979	20	10		EDCDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1	ZINC000191041372	443230120	/nfs/dbraw/zinc/23/01/20/443230120.db2.gz	YHQBLHNVUWKBDC-ZLHKHBAESA-N	-1	0	344.411	1.860	20	10		EDCDRM
COc1c([O-])c(C[NH2+]CCS(=O)(=O)C(C)C)ccc1[N+](=O)[O-]	ZINC000289996434	444228620	/nfs/dbraw/zinc/22/86/20/444228620.db2.gz	CRKZUHWPVWUGSZ-UHFFFAOYSA-N	-1	0	332.378	1.222	20	10		EDCDRM
CCCOc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)c(O)c1	ZINC000371324787	446774002	/nfs/dbraw/zinc/77/40/02/446774002.db2.gz	ALDONDUYSXQMRB-OAHLLOKOSA-N	-1	0	342.461	1.695	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)[C@@H]3COCCN3C(=O)[O-])ccc21	ZINC000739730774	579242781	/nfs/dbraw/zinc/24/27/81/579242781.db2.gz	KSDTZFIFYYDJTM-HNNXBMFYSA-N	-1	0	333.388	1.064	20	10		EDCDRM
O=C1N[C@@H](c2cccc(Br)c2[O-])N2CCSC[C@@H]12	ZINC000765516920	580144614	/nfs/dbraw/zinc/14/46/14/580144614.db2.gz	PDECSSWIPXSWGM-GXSJLCMTSA-N	-1	0	329.219	1.701	20	10		EDCDRM
CCOC(=O)[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000769465478	580237790	/nfs/dbraw/zinc/23/77/90/580237790.db2.gz	DKKDWDHXKNUGRK-GFCCVEGCSA-N	-1	0	344.751	1.718	20	10		EDCDRM
CS(=O)(=O)NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000792156643	580811830	/nfs/dbraw/zinc/81/18/30/580811830.db2.gz	IWFUTJPUAJLXAA-UHFFFAOYSA-N	-1	0	336.816	1.698	20	10		EDCDRM
COCCn1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cn1	ZINC000792701961	580825173	/nfs/dbraw/zinc/82/51/73/580825173.db2.gz	JLLUOVSCJKJYEA-UHFFFAOYSA-N	-1	0	343.430	1.758	20	10		EDCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cnnn1Cc1ccccc1	ZINC000792882674	580830046	/nfs/dbraw/zinc/83/00/46/580830046.db2.gz	GUXKBFLAWYUTFU-BOPFTXTBSA-N	-1	0	345.362	1.788	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(Cl)cnn1C	ZINC000797432030	580975612	/nfs/dbraw/zinc/97/56/12/580975612.db2.gz	IPSDFAADTHDYGC-UHFFFAOYSA-N	-1	0	345.764	1.367	20	10		EDCDRM
COCCN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000798190039	580990075	/nfs/dbraw/zinc/99/00/75/580990075.db2.gz	GDMVCPRBRSOCOY-HWKANZROSA-N	-1	0	335.360	1.461	20	10		EDCDRM
COCCN(Cc1cc(Br)cc(F)c1[O-])[C@H](C)C(N)=O	ZINC000894005418	591166569	/nfs/dbraw/zinc/16/65/69/591166569.db2.gz	FZACKEFWUCINLL-MRVPVSSYSA-N	-1	0	349.200	1.616	20	10		EDCDRM
COc1cc(Cl)cc(CN(C)Cc2nnc3c(=O)[nH]ccn23)c1O	ZINC000895624192	591233984	/nfs/dbraw/zinc/23/39/84/591233984.db2.gz	WHYQGPLRVNEVHC-UHFFFAOYSA-N	-1	0	349.778	1.417	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)C2)cc1	ZINC000902045546	591903022	/nfs/dbraw/zinc/90/30/22/591903022.db2.gz	HAPSCASXDYKPQT-BYCMXARLSA-N	-1	0	334.372	1.022	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cc1	ZINC000908758739	592601590	/nfs/dbraw/zinc/60/15/90/592601590.db2.gz	QRPRLKXBOBNLSG-DZGCQCFKSA-N	-1	0	335.404	1.432	20	10		EDCDRM
CCOCCO[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911484616	592928338	/nfs/dbraw/zinc/92/83/38/592928338.db2.gz	DOMJDFVLPZTEBS-GFCCVEGCSA-N	-1	0	325.361	1.247	20	10		EDCDRM
CCc1cc(CC(=O)N(CC(=O)[O-])Cc2ccccc2O)n(C)n1	ZINC000911487178	592928828	/nfs/dbraw/zinc/92/88/28/592928828.db2.gz	BUDRKXUGXYPFCB-UHFFFAOYSA-N	-1	0	331.372	1.344	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)Cn1cc(C2CC2)cn1	ZINC000911494874	592930863	/nfs/dbraw/zinc/93/08/63/592930863.db2.gz	ZBJYUHQPTJBIAW-UHFFFAOYSA-N	-1	0	329.356	1.580	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CC2(C(=O)[O-])CCOCC2)cc1	ZINC000911118382	592936856	/nfs/dbraw/zinc/93/68/56/592936856.db2.gz	LWXNLILTMQDPMP-UHFFFAOYSA-N	-1	0	334.416	1.983	20	10		EDCDRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000209561573	593004133	/nfs/dbraw/zinc/00/41/33/593004133.db2.gz	QPJDGIIOGMCKTH-IUCKJTJTSA-N	-1	0	327.336	1.923	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCCOC1	ZINC000911360444	593005970	/nfs/dbraw/zinc/00/59/70/593005970.db2.gz	UEHGTIJBOAELHP-SNVBAGLBSA-N	-1	0	327.764	1.885	20	10		EDCDRM
O=C([O-])CCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000819439890	593754474	/nfs/dbraw/zinc/75/44/74/593754474.db2.gz	YLOVGOVSGBBCQJ-UHFFFAOYSA-N	-1	0	339.367	1.326	20	10		EDCDRM
C[C@@H](CN1CCCc2cc(CNC(=O)[O-])ccc21)CS(C)(=O)=O	ZINC000824906590	594094978	/nfs/dbraw/zinc/09/49/78/594094978.db2.gz	DQZHKENKODQNPQ-LBPRGKRZSA-N	-1	0	340.445	1.888	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2COC(=O)C2)NC(=O)[O-])cc1	ZINC000828064848	594333636	/nfs/dbraw/zinc/33/36/36/594333636.db2.gz	ZWHTULRWWRUKIN-SMDDNHRTSA-N	-1	0	349.387	1.131	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccccn2)NC(=O)[O-])cc1	ZINC000828064205	594333734	/nfs/dbraw/zinc/33/37/34/594333734.db2.gz	NXPATBUNFXXWBX-OAHLLOKOSA-N	-1	0	328.372	1.886	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc[n+]([O-])c2)NC(=O)[O-])cc1	ZINC000828064198	594333760	/nfs/dbraw/zinc/33/37/60/594333760.db2.gz	NSRXOYYXHLEPSR-OAHLLOKOSA-N	-1	0	344.371	1.125	20	10		EDCDRM
CO[N-]C(=O)CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	ZINC000832741320	594773211	/nfs/dbraw/zinc/77/32/11/594773211.db2.gz	ODJZPKRWGDMONS-UHFFFAOYSA-N	-1	0	343.383	1.243	20	10		EDCDRM
O=C([O-])Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(O)c1	ZINC000834254873	595071248	/nfs/dbraw/zinc/07/12/48/595071248.db2.gz	DHMUVJNPPBQUPM-UHFFFAOYSA-N	-1	0	332.312	1.866	20	10		EDCDRM
O=S1(=O)CC[C@@]2(C1)CN(Cc1c([O-])ccc(Cl)c1F)CCO2	ZINC000843425916	595108065	/nfs/dbraw/zinc/10/80/65/595108065.db2.gz	JZISWNMCSBPKAW-AWEZNQCLSA-N	-1	0	349.811	1.574	20	10		EDCDRM
COc1cc([N+](=O)[O-])c(N2CCSC[C@@H](C(=O)[O-])C2)cc1OC	ZINC000844217199	595304677	/nfs/dbraw/zinc/30/46/77/595304677.db2.gz	FASHIZWRHXJUOH-VIFPVBQESA-N	-1	0	342.373	1.866	20	10		EDCDRM
CCO[N-]C(=O)CNC(=O)NCc1cccc(Br)c1O	ZINC000845539260	595514854	/nfs/dbraw/zinc/51/48/54/595514854.db2.gz	ULIZRPSTFHZNIG-UHFFFAOYSA-N	-1	0	346.181	1.022	20	10		EDCDRM
C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000852950869	595625528	/nfs/dbraw/zinc/62/55/28/595625528.db2.gz	MYXARMNKMKXUIB-WBMJQRKESA-N	-1	0	332.400	1.811	20	10		EDCDRM
COCC1(CNC(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)CC1	ZINC000853011718	595641728	/nfs/dbraw/zinc/64/17/28/595641728.db2.gz	ZGCXQZALUZTGJG-UHFFFAOYSA-N	-1	0	336.388	1.129	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H]2CCCOCC2)cc1	ZINC000872967377	597143720	/nfs/dbraw/zinc/14/37/20/597143720.db2.gz	HIKBVEILRZWPFO-ZDUSSCGKSA-N	-1	0	336.388	1.272	20	10		EDCDRM
O=C([O-])c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)nc1	ZINC000919765952	697331923	/nfs/dbraw/zinc/33/19/23/697331923.db2.gz	SLSWACNMSAXFHM-UHFFFAOYSA-N	-1	0	341.367	1.546	20	10		EDCDRM
O=C1N[C@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N2CCSC[C@H]12	ZINC000270789757	304685232	/nfs/dbraw/zinc/68/52/32/304685232.db2.gz	LHJXMCVLNJSRST-KOLCDFICSA-N	-1	0	329.765	1.500	20	10		EDCDRM
Cc1cnn(C)c1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000285587130	444038796	/nfs/dbraw/zinc/03/87/96/444038796.db2.gz	SWRRSVJMCZMIHT-POHAHGRESA-N	-1	0	325.415	1.795	20	10		EDCDRM
CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H](C)c2ccc(C)cc2O)nn1	ZINC000289910935	444217827	/nfs/dbraw/zinc/21/78/27/444217827.db2.gz	UILMCGNFEFQAQH-SRCQZFHVSA-N	-1	0	332.404	1.729	20	10		EDCDRM
O=S(=O)(C1CC1)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000529642456	448914836	/nfs/dbraw/zinc/91/48/36/448914836.db2.gz	ZGXARARJPZXYIQ-UHFFFAOYSA-N	-1	0	348.827	1.795	20	10		EDCDRM
COC(=O)[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000769331363	580234019	/nfs/dbraw/zinc/23/40/19/580234019.db2.gz	GAFFAXKTTCUZQT-NSHDSACASA-N	-1	0	330.724	1.328	20	10		EDCDRM
O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1F	ZINC000776745026	580427600	/nfs/dbraw/zinc/42/76/00/580427600.db2.gz	RSWZDILLYKZXIS-UHFFFAOYSA-N	-1	0	341.316	1.796	20	10		EDCDRM
COCCN(CC(=O)[O-])C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000780489829	580524476	/nfs/dbraw/zinc/52/44/76/580524476.db2.gz	ILVYVFQRMWRVEQ-UHFFFAOYSA-N	-1	0	327.356	1.134	20	10		EDCDRM
CN1C(=O)COc2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cc21	ZINC000789988946	580758819	/nfs/dbraw/zinc/75/88/19/580758819.db2.gz	CMSUGUGSJQQOCO-UHFFFAOYSA-N	-1	0	332.287	1.844	20	10		EDCDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000901600270	592407929	/nfs/dbraw/zinc/40/79/29/592407929.db2.gz	YQFROKFMVLEXFO-YJYMSZOUSA-N	-1	0	346.427	1.622	20	10		EDCDRM
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](OC)C(=O)[O-]	ZINC000901743224	592454293	/nfs/dbraw/zinc/45/42/93/592454293.db2.gz	ICFMXPPRKUJAJJ-LLVKDONJSA-N	-1	0	346.177	1.603	20	10		EDCDRM
Cn1nc(C2CC2)cc1C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000907832950	592809129	/nfs/dbraw/zinc/80/91/29/592809129.db2.gz	VDZWJSYOSYDXCG-UHFFFAOYSA-N	-1	0	329.356	1.730	20	10		EDCDRM
CC[C@@H](O)[C@@H](C)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360641	593005793	/nfs/dbraw/zinc/00/57/93/593005793.db2.gz	XNTGQONVYDFGEW-BXKDBHETSA-N	-1	0	329.780	1.866	20	10		EDCDRM
CCn1ccnc1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360840	593006388	/nfs/dbraw/zinc/00/63/88/593006388.db2.gz	ZFDGQTMHIRTMHD-UHFFFAOYSA-N	-1	0	337.763	1.989	20	10		EDCDRM
O=C([O-])c1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1O	ZINC000809154699	593320780	/nfs/dbraw/zinc/32/07/80/593320780.db2.gz	BVZMCRQNUFDOGW-XYOKQWHBSA-N	-1	0	334.353	1.393	20	10		EDCDRM
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCC(=O)[O-]	ZINC000817113898	593571825	/nfs/dbraw/zinc/57/18/25/593571825.db2.gz	BTUNIDDZBDJAGT-UHFFFAOYSA-N	-1	0	335.404	1.081	20	10		EDCDRM
Cc1ncc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)[nH]1	ZINC000830704880	594460583	/nfs/dbraw/zinc/46/05/83/594460583.db2.gz	RLYKNQVENIQIIB-ZDUSSCGKSA-N	-1	0	331.376	1.523	20	10		EDCDRM
Cc1nn(C)cc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830864260	594499752	/nfs/dbraw/zinc/49/97/52/594499752.db2.gz	AUXYNDCXURBHIC-HNNXBMFYSA-N	-1	0	345.403	1.533	20	10		EDCDRM
O=C([O-])N1CC(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	ZINC000831838445	594706381	/nfs/dbraw/zinc/70/63/81/594706381.db2.gz	SHICWUJBIKBADQ-OAHLLOKOSA-N	-1	0	348.399	1.900	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N(CCO)C2CCOCC2)c([N+](=O)[O-])c1	ZINC000844212938	595303857	/nfs/dbraw/zinc/30/38/57/595303857.db2.gz	QLUMTHDDZRZQOR-RQOWECAXSA-N	-1	0	336.344	1.670	20	10		EDCDRM
O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)C1=CC(=O)CS1	ZINC000848391978	595372251	/nfs/dbraw/zinc/37/22/51/595372251.db2.gz	SGFPZPDBXLNDLJ-MRVPVSSYSA-N	-1	0	336.335	1.984	20	10		EDCDRM
O=C(NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)C1=CC(=O)CS1	ZINC000848391979	595372428	/nfs/dbraw/zinc/37/24/28/595372428.db2.gz	SGFPZPDBXLNDLJ-QMMMGPOBSA-N	-1	0	336.335	1.984	20	10		EDCDRM
C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)c1ccc(N2CCOCC2)cc1	ZINC000852951259	595625543	/nfs/dbraw/zinc/62/55/43/595625543.db2.gz	QHWCIZBXLIAWKM-CYBMUJFWSA-N	-1	0	332.400	1.955	20	10		EDCDRM
O=C([O-])[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CC1	ZINC000852957543	595629102	/nfs/dbraw/zinc/62/91/02/595629102.db2.gz	VOOPTJNEGPEELJ-MRXNPFEDSA-N	-1	0	332.400	1.375	20	10		EDCDRM
O=C([O-])[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2	ZINC000854241932	596012586	/nfs/dbraw/zinc/01/25/86/596012586.db2.gz	ZFFRSNBNSGAVSU-YMTOWFKASA-N	-1	0	342.735	1.487	20	10		EDCDRM
NC(=O)[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])O1	ZINC000861728877	596081540	/nfs/dbraw/zinc/08/15/40/596081540.db2.gz	PAOVJWRCPSDIRM-VHSXEESVSA-N	-1	0	333.171	1.348	20	10		EDCDRM
COC(=O)COc1ccc(N(C)Cc2cc(C(=O)[O-])nn2C)cc1	ZINC000874041550	596904945	/nfs/dbraw/zinc/90/49/45/596904945.db2.gz	YYCLIIHFIHYLIN-UHFFFAOYSA-N	-1	0	333.344	1.307	20	10		EDCDRM
C[C@@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000874388704	597054117	/nfs/dbraw/zinc/05/41/17/597054117.db2.gz	ZOLSHWMOUXYFHQ-YUELXQCFSA-N	-1	0	347.415	1.747	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2COC(C)(C)C2)cc1	ZINC000872980846	597149165	/nfs/dbraw/zinc/14/91/65/597149165.db2.gz	JVZFAYQYKRBFEK-LBPRGKRZSA-N	-1	0	336.388	1.270	20	10		EDCDRM
O=C([C@@H]1CCCCN1Cc1ccc(F)c(F)c1[O-])N1CCOCC1	ZINC000876684898	597287940	/nfs/dbraw/zinc/28/79/40/597287940.db2.gz	VEQOBKYFWVFIFQ-AWEZNQCLSA-N	-1	0	340.370	1.884	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCCC(=O)[O-]	ZINC000314733810	600401770	/nfs/dbraw/zinc/40/17/70/600401770.db2.gz	QYIYKQDSXYLTEE-UHFFFAOYSA-N	-1	0	328.434	1.769	20	10		EDCDRM
COc1cc(Cl)cc(CN2CCCN(S(C)(=O)=O)CC2)c1O	ZINC000184677164	443057493	/nfs/dbraw/zinc/05/74/93/443057493.db2.gz	WVBWAVYDRXKLTE-UHFFFAOYSA-N	-1	0	348.852	1.522	20	10		EDCDRM
C[C@@H](CONC(=O)c1c(F)ccc(O)c1[O-])NC(=O)OC(C)(C)C	ZINC000297034170	444269210	/nfs/dbraw/zinc/26/92/10/444269210.db2.gz	HLOBJBKONXCSHK-QMMMGPOBSA-N	-1	0	344.339	1.812	20	10		EDCDRM
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)[N-]OCc1ccccc1	ZINC000759592826	580009915	/nfs/dbraw/zinc/00/99/15/580009915.db2.gz	AGTFWYDYDARACH-VQHVLOKHSA-N	-1	0	343.335	1.902	20	10		EDCDRM
CN(Cc1ccccc1O)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000739713945	579240133	/nfs/dbraw/zinc/24/01/33/579240133.db2.gz	HFIPOLWBCVYXDB-UHFFFAOYSA-N	-1	0	335.404	1.425	20	10		EDCDRM
CCOC(=O)c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)o1	ZINC000751512675	579811134	/nfs/dbraw/zinc/81/11/34/579811134.db2.gz	FAKJFOWBRLHGLG-JLHYYAGUSA-N	-1	0	326.308	1.918	20	10		EDCDRM
C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(N(C)C)cc1	ZINC000773983304	580351019	/nfs/dbraw/zinc/35/10/19/580351019.db2.gz	XJCJTDXNETXCRP-SNVBAGLBSA-N	-1	0	337.401	1.818	20	10		EDCDRM
Cc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1C(=O)[O-]	ZINC000899344057	591786067	/nfs/dbraw/zinc/78/60/67/591786067.db2.gz	KFGFYPZJZHLPLW-LCYFTJDESA-N	-1	0	332.381	1.996	20	10		EDCDRM
COCCn1[n-]nnc1=NC(=O)c1ccc(-n2c(C)ccc2C)cc1	ZINC000906301026	592787214	/nfs/dbraw/zinc/78/72/14/592787214.db2.gz	RFWHHXPCNRZQOG-UHFFFAOYSA-N	-1	0	340.387	1.401	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)CN1CCCCCCC1=O	ZINC000911486498	592928840	/nfs/dbraw/zinc/92/88/40/592928840.db2.gz	OLSUETFQWMAIRY-UHFFFAOYSA-N	-1	0	348.399	1.598	20	10		EDCDRM
CNS(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000816511701	593528629	/nfs/dbraw/zinc/52/86/29/593528629.db2.gz	IJCJYMIHLBYBGF-JTQLQIEISA-N	-1	0	336.816	1.698	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)NCCCC(=O)[O-])C2)cc1	ZINC000818624797	593708536	/nfs/dbraw/zinc/70/85/36/593708536.db2.gz	RGQWXGJLYCOTQO-CYBMUJFWSA-N	-1	0	335.404	1.686	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-])cc1	ZINC000818658978	593710822	/nfs/dbraw/zinc/71/08/22/593710822.db2.gz	GROWUEYNPPTYDA-UHFFFAOYSA-N	-1	0	349.431	1.328	20	10		EDCDRM
O=C([O-])CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000819490227	593756500	/nfs/dbraw/zinc/75/65/00/593756500.db2.gz	PYNJJQOHCXBIIL-UHFFFAOYSA-N	-1	0	339.367	1.061	20	10		EDCDRM
C[C@H](C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1)n1cccn1	ZINC000823687012	593834712	/nfs/dbraw/zinc/83/47/12/593834712.db2.gz	VGFKEKUHUSJARY-DOMZBBRYSA-N	-1	0	345.403	1.635	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000829719010	594247039	/nfs/dbraw/zinc/24/70/39/594247039.db2.gz	VVACKGUJGJKDQK-UHFFFAOYSA-N	-1	0	331.376	1.091	20	10		EDCDRM
Cc1cc(CC(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n[nH]1	ZINC000830028600	594319686	/nfs/dbraw/zinc/31/96/86/594319686.db2.gz	AOUKQXONNOBHPK-HNNXBMFYSA-N	-1	0	345.403	1.452	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCCO2)NC(=O)[O-])cc1	ZINC000828056247	594331815	/nfs/dbraw/zinc/33/18/15/594331815.db2.gz	OVZVIHRDSIXCJN-CABCVRRESA-N	-1	0	335.404	1.747	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccnn2C)NC(=O)[O-])cc1	ZINC000828064556	594333668	/nfs/dbraw/zinc/33/36/68/594333668.db2.gz	SJALOWPFCCSIGC-ZDUSSCGKSA-N	-1	0	331.376	1.225	20	10		EDCDRM
Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)ccc1O	ZINC000826271601	594406482	/nfs/dbraw/zinc/40/64/82/594406482.db2.gz	YMAUXKFQRGKFNV-UHFFFAOYSA-N	-1	0	349.347	1.821	20	10		EDCDRM
O=C(Nc1ccc(-c2ncco2)cc1)C1=S=C(c2nnn[n-]2)C=C1	ZINC000826451846	594480996	/nfs/dbraw/zinc/48/09/96/594480996.db2.gz	YSPSWBFZJNNHDD-UHFFFAOYSA-N	-1	0	338.352	1.489	20	10		EDCDRM
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CSCN2C(=O)[O-])c1	ZINC000829484331	594623853	/nfs/dbraw/zinc/62/38/53/594623853.db2.gz	RRVMGRMZLBAGSI-GZMMTYOYSA-N	-1	0	326.374	1.631	20	10		EDCDRM
O=C([O-])N1CCO[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000831708368	594694707	/nfs/dbraw/zinc/69/47/07/594694707.db2.gz	HDYFTUWEWVJLNZ-HNNXBMFYSA-N	-1	0	334.372	1.266	20	10		EDCDRM
CC(C)N1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1=O	ZINC000833500588	594860019	/nfs/dbraw/zinc/86/00/19/594860019.db2.gz	ZVMDIECIJHIJPZ-XQRVVYSFSA-N	-1	0	333.344	1.750	20	10		EDCDRM
COC(=O)CNC(=O)[C@H]1CCCN1Cc1c([O-])ccc(Cl)c1F	ZINC000841892725	594975529	/nfs/dbraw/zinc/97/55/29/594975529.db2.gz	SSWCPGYNQOJHSS-LLVKDONJSA-N	-1	0	344.770	1.438	20	10		EDCDRM
O=C([O-])N1CCSC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1	ZINC000833986608	594982295	/nfs/dbraw/zinc/98/22/95/594982295.db2.gz	CIXBMHSMIUBXCK-NSHDSACASA-N	-1	0	340.401	1.242	20	10		EDCDRM
O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccc(O)c(O)c1	ZINC000834091611	595012065	/nfs/dbraw/zinc/01/20/65/595012065.db2.gz	FSNICKKGSVOEBL-JXHFCSHNSA-N	-1	0	332.356	1.854	20	10		EDCDRM
COC(=O)[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)O1	ZINC000846060069	595132980	/nfs/dbraw/zinc/13/29/80/595132980.db2.gz	UBIZKPLBTOAEIQ-UFBFGSQYSA-N	-1	0	344.751	1.716	20	10		EDCDRM
C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-]	ZINC000848576460	595406870	/nfs/dbraw/zinc/40/68/70/595406870.db2.gz	QMHCNTGYEHECBS-LBPRGKRZSA-N	-1	0	337.445	1.760	20	10		EDCDRM
CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852950516	595625617	/nfs/dbraw/zinc/62/56/17/595625617.db2.gz	IRVBEAPIQVAGKK-YVEFUNNKSA-N	-1	0	336.388	1.190	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCO[C@@H](C)[C@H]2C)cc1	ZINC000872949129	597137118	/nfs/dbraw/zinc/13/71/18/597137118.db2.gz	JXDGDDZHXBXHLW-OLZOCXBDSA-N	-1	0	336.388	1.222	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CCS[C@@H]2C)cc1	ZINC000872977586	597148446	/nfs/dbraw/zinc/14/84/46/597148446.db2.gz	CPAVFQYJNLAKTG-BXUZGUMPSA-N	-1	0	338.429	1.596	20	10		EDCDRM
Cn1cccc1C(=O)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000876557467	597240237	/nfs/dbraw/zinc/24/02/37/597240237.db2.gz	XGMHOQZABRGMMC-UHFFFAOYSA-N	-1	0	335.354	1.967	20	10		EDCDRM
CN(C)C(=O)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000133569900	597979056	/nfs/dbraw/zinc/97/90/56/597979056.db2.gz	BVYVCGOXVLCWOU-UHFFFAOYSA-N	-1	0	342.783	1.753	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000392863142	601109753	/nfs/dbraw/zinc/10/97/53/601109753.db2.gz	FPIKOJYLFLMXDR-PMUGQKEBSA-N	-1	0	347.371	1.604	20	10		EDCDRM
C[C@H](CC(=O)[O-])CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000324953567	701541098	/nfs/dbraw/zinc/54/10/98/701541098.db2.gz	HPTAQXFBAADOGA-AWEZNQCLSA-N	-1	0	334.416	1.983	20	10		EDCDRM
COCC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000128698096	533060264	/nfs/dbraw/zinc/06/02/64/533060264.db2.gz	IZKMJWVIMNXPCK-UHFFFAOYSA-N	-1	0	333.215	1.990	20	10		EDCDRM
C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093559619	441890989	/nfs/dbraw/zinc/89/09/89/441890989.db2.gz	DMUSAJXMIQAQSF-IUCAKERBSA-N	-1	0	348.808	1.961	20	10		EDCDRM
O=C([O-])C1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1	ZINC000154907943	442363603	/nfs/dbraw/zinc/36/36/03/442363603.db2.gz	FCHPATLCOBEQAK-UHFFFAOYSA-N	-1	0	332.400	1.376	20	10		EDCDRM
COc1cc([N+](=O)[O-])c(N2CCC(c3nc(=O)[n-][nH]3)CC2)cc1OC	ZINC000280957397	443783572	/nfs/dbraw/zinc/78/35/72/443783572.db2.gz	KMNSZFAMJLWIHV-UHFFFAOYSA-N	-1	0	349.347	1.407	20	10		EDCDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)C1COC1	ZINC000408476700	447663916	/nfs/dbraw/zinc/66/39/16/447663916.db2.gz	MHWIXYPOFZGEBQ-UHFFFAOYSA-N	-1	0	340.426	1.614	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N2CC[C@H](CNC(=O)[O-])C2)cc1F	ZINC000739618461	579226946	/nfs/dbraw/zinc/22/69/46/579226946.db2.gz	NLMIZMMGYQGFNW-GFCCVEGCSA-N	-1	0	338.383	1.691	20	10		EDCDRM
COCCN(CC(=O)N[C@H](C)c1cc(OC)ccc1O)C(=O)[O-]	ZINC000739822956	579255519	/nfs/dbraw/zinc/25/55/19/579255519.db2.gz	PCFPPNUFDOPLNP-SNVBAGLBSA-N	-1	0	326.349	1.204	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)[O-])C3)CC2)cc1	ZINC000739910649	579266637	/nfs/dbraw/zinc/26/66/37/579266637.db2.gz	QGSOHYMXBATHOL-ZDUSSCGKSA-N	-1	0	333.388	1.344	20	10		EDCDRM
CCS(=O)(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775647959	580396258	/nfs/dbraw/zinc/39/62/58/580396258.db2.gz	JRJLWQPLLUMEBN-UHFFFAOYSA-N	-1	0	336.816	1.652	20	10		EDCDRM
C[S@@](=O)CCN1CCN(Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000792164700	580812085	/nfs/dbraw/zinc/81/20/85/580812085.db2.gz	BYXNMGSPTDQPJM-OAQYLSRUSA-N	-1	0	334.844	1.681	20	10		EDCDRM
CC[C@](COC)(NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-]	ZINC000908846681	592640383	/nfs/dbraw/zinc/64/03/83/592640383.db2.gz	CJRXBGUYSSSSIE-GOSISDBHSA-N	-1	0	349.431	1.966	20	10		EDCDRM
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000911109461	592926231	/nfs/dbraw/zinc/92/62/31/592926231.db2.gz	GEEQFOAMVBZHOW-ZACQAIPSSA-N	-1	0	346.427	1.981	20	10		EDCDRM
C[C@@]1(Br)C[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911488750	592929391	/nfs/dbraw/zinc/92/93/91/592929391.db2.gz	NOGHAMUVHGEDRI-QMTHXVAHSA-N	-1	0	342.189	1.979	20	10		EDCDRM
Cc1ncc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1C	ZINC000911359774	593005427	/nfs/dbraw/zinc/00/54/27/593005427.db2.gz	FUCYNKZWSPSWNW-UHFFFAOYSA-N	-1	0	337.763	1.815	20	10		EDCDRM
Cn1nc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])ccc1=O	ZINC000807839903	593203221	/nfs/dbraw/zinc/20/32/21/593203221.db2.gz	UJTKKKDEHVHOBY-UHFFFAOYSA-N	-1	0	328.155	1.723	20	10		EDCDRM
CN1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC000805142990	593374681	/nfs/dbraw/zinc/37/46/81/593374681.db2.gz	BZSHDFTXLKUTHH-JTQLQIEISA-N	-1	0	332.187	1.729	20	10		EDCDRM
O=C([O-])[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000819263894	593747395	/nfs/dbraw/zinc/74/73/95/593747395.db2.gz	SMUMOJGFFIAOTB-AWEZNQCLSA-N	-1	0	349.456	1.856	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c1	ZINC000829483429	594623317	/nfs/dbraw/zinc/62/33/17/594623317.db2.gz	HRDDLVSHHYIBSL-GXFFZTMASA-N	-1	0	337.376	1.636	20	10		EDCDRM
COc1cccc(CNC(=O)N[C@H](CNC(=O)[O-])CC(C)C)c1O	ZINC000829559052	594639989	/nfs/dbraw/zinc/63/99/89/594639989.db2.gz	FZKDMGDLCUHSIN-LBPRGKRZSA-N	-1	0	339.392	1.882	20	10		EDCDRM
COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)C(=O)[O-])c2C)cc1	ZINC000832138171	594729530	/nfs/dbraw/zinc/72/95/30/594729530.db2.gz	ADALZVCHHHXBRX-OAHLLOKOSA-N	-1	0	332.356	1.278	20	10		EDCDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC000840918449	594827772	/nfs/dbraw/zinc/82/77/72/594827772.db2.gz	TUTIBHJCGJBCAV-UHFFFAOYSA-N	-1	0	331.781	1.726	20	10		EDCDRM
COCC(COC)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000840953849	594832218	/nfs/dbraw/zinc/83/22/18/594832218.db2.gz	BHJASVBJPVIMKD-UHFFFAOYSA-N	-1	0	346.830	1.964	20	10		EDCDRM
COCCN(CC(=O)[O-])C(=O)c1csc(Cc2ccc(N)cc2)n1	ZINC000841845248	594963392	/nfs/dbraw/zinc/96/33/92/594963392.db2.gz	PGYTZVOHBQWJGG-UHFFFAOYSA-N	-1	0	349.412	1.489	20	10		EDCDRM
COc1ccc(N(C)CC(=O)N2CCC(C(=O)[O-])CC2)c(OC)c1	ZINC000836698009	594989453	/nfs/dbraw/zinc/98/94/53/594989453.db2.gz	LTDTWHSPEOYGHG-UHFFFAOYSA-N	-1	0	336.388	1.463	20	10		EDCDRM
O=C([O-])C1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC1	ZINC000844151847	595286135	/nfs/dbraw/zinc/28/61/35/595286135.db2.gz	GZSFKBXZHANCKN-UHFFFAOYSA-N	-1	0	346.427	1.766	20	10		EDCDRM
COc1ccc(N2CCN(CCNc3nc(C(=O)[O-])co3)CC2)cc1	ZINC000844208468	595302624	/nfs/dbraw/zinc/30/26/24/595302624.db2.gz	USRUROZWLGGINF-UHFFFAOYSA-N	-1	0	346.387	1.616	20	10		EDCDRM
C[C@@H](CNC(=O)NCc1cc(Br)ccc1O)C(=O)[O-]	ZINC000848587555	595410741	/nfs/dbraw/zinc/41/07/41/595410741.db2.gz	JKQBWNFNGPCXFF-ZETCQYMHSA-N	-1	0	331.166	1.675	20	10		EDCDRM
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1	ZINC000848611557	595417744	/nfs/dbraw/zinc/41/77/44/595417744.db2.gz	WLADXKGVJYDPEQ-ZDUSSCGKSA-N	-1	0	349.431	1.328	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccn(C)c2)cc1	ZINC000853005113	595639361	/nfs/dbraw/zinc/63/93/61/595639361.db2.gz	FWTVEXGESJTSKM-UHFFFAOYSA-N	-1	0	331.372	1.241	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)N3CC(C(=O)[O-])C3)C2)cc1	ZINC000857101389	596157950	/nfs/dbraw/zinc/15/79/50/596157950.db2.gz	VNZHNBUIFTXCMF-LBPRGKRZSA-N	-1	0	333.388	1.248	20	10		EDCDRM
O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCCC(F)(F)CC1)cc2=O	ZINC000863473632	596591834	/nfs/dbraw/zinc/59/18/34/596591834.db2.gz	UELNRGFGDGJHSQ-UHFFFAOYSA-N	-1	0	326.303	1.754	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)C2)cc1	ZINC000864148311	596769484	/nfs/dbraw/zinc/76/94/84/596769484.db2.gz	CHPZAUCNQFJYIV-VBNZEHGJSA-N	-1	0	348.399	1.270	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)CSC)cc1	ZINC000872934391	597131367	/nfs/dbraw/zinc/13/13/67/597131367.db2.gz	BYFUTQREBNKDHI-LLVKDONJSA-N	-1	0	326.418	1.454	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H](C)C[C@H](C)O)cc1	ZINC000872937374	597132352	/nfs/dbraw/zinc/13/23/52/597132352.db2.gz	LROJHDIJYUEBAN-STQMWFEESA-N	-1	0	338.404	1.109	20	10		EDCDRM
CCN(C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1)[C@@H]1CCOC1	ZINC000872993345	597153414	/nfs/dbraw/zinc/15/34/14/597153414.db2.gz	ZQWLXXIBWXKQJJ-CQSZACIVSA-N	-1	0	336.388	1.224	20	10		EDCDRM
COC(=O)[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])[C@@H](C(=O)OC)C1	ZINC000877183730	597455243	/nfs/dbraw/zinc/45/52/43/597455243.db2.gz	HPIGNCZXULWQNX-BXKDBHETSA-N	-1	0	343.326	1.597	20	10		EDCDRM
COCCN(Cc1ccc(F)c(F)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000877531377	597531957	/nfs/dbraw/zinc/53/19/57/597531957.db2.gz	PHCCCNJNJMBYNP-LLVKDONJSA-N	-1	0	335.372	1.306	20	10		EDCDRM
Cc1cc(CC(=O)N(C)Cc2nc(=O)o[n-]2)c(C)n1-c1ccccc1	ZINC000880392506	597921830	/nfs/dbraw/zinc/92/18/30/597921830.db2.gz	BFCUXFMKGSAAMQ-UHFFFAOYSA-N	-1	0	340.383	1.972	20	10		EDCDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000738929496	602943551	/nfs/dbraw/zinc/94/35/51/602943551.db2.gz	IVYAKMWUEDNDJB-CYBMUJFWSA-N	-1	0	332.404	1.860	20	10		EDCDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1	ZINC000055290036	441638776	/nfs/dbraw/zinc/63/87/76/441638776.db2.gz	YLXFPGONVFXURK-UHFFFAOYSA-N	-1	0	344.418	1.199	20	10		EDCDRM
O=C1NC[C@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CCN12	ZINC000091864424	441748753	/nfs/dbraw/zinc/74/87/53/441748753.db2.gz	MGEJTJISILFBAM-JTQLQIEISA-N	-1	0	326.740	1.163	20	10		EDCDRM
CC(C)[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000178160066	442412316	/nfs/dbraw/zinc/41/23/16/442412316.db2.gz	MTLXEFDLBGAXAN-ZGRWHYIRSA-N	-1	0	332.400	1.762	20	10		EDCDRM
COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000276692103	443793592	/nfs/dbraw/zinc/79/35/92/443793592.db2.gz	XMYFSCVAZSEKGW-MWLCHTKSSA-N	-1	0	330.724	1.062	20	10		EDCDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCN3CCOC[C@H]3C2)c1[O-]	ZINC000363891303	445882595	/nfs/dbraw/zinc/88/25/95/445882595.db2.gz	TYSBXBWDGOFMJM-GFCCVEGCSA-N	-1	0	327.768	1.470	20	10		EDCDRM
O=c1n(CC(F)F)nc2n1CCN(Cc1cccc(Cl)c1[O-])C2	ZINC000369290647	446052587	/nfs/dbraw/zinc/05/25/87/446052587.db2.gz	PNQHJJVTRAUBPX-UHFFFAOYSA-N	-1	0	344.749	1.685	20	10		EDCDRM
CNC(=O)c1cncc(/C=C\C(=O)N(CC(=O)[O-])c2ccccc2)c1	ZINC000492865864	448314278	/nfs/dbraw/zinc/31/42/78/448314278.db2.gz	VROBPUSXUSNBIR-FPLPWBNLSA-N	-1	0	339.351	1.572	20	10		EDCDRM
O=C([O-])N1CCOC[C@H]1C(=O)NCCCSc1nccs1	ZINC000740431439	579345899	/nfs/dbraw/zinc/34/58/99/579345899.db2.gz	LIIXGPNQOXNVPL-VIFPVBQESA-N	-1	0	331.419	1.120	20	10		EDCDRM
CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1	ZINC000736536275	578997061	/nfs/dbraw/zinc/99/70/61/578997061.db2.gz	DDGWOQVSVSRGMM-UHFFFAOYSA-N	-1	0	344.418	1.362	20	10		EDCDRM
CN(C)c1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1F	ZINC000761287479	580053998	/nfs/dbraw/zinc/05/39/98/580053998.db2.gz	YKOXCYXJTRRTOF-UHFFFAOYSA-N	-1	0	341.364	1.397	20	10		EDCDRM
CC(=O)NCc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765077388	580134636	/nfs/dbraw/zinc/13/46/36/580134636.db2.gz	BZOJMEFXPLIXHG-UHFFFAOYSA-N	-1	0	346.368	1.660	20	10		EDCDRM
[O-]c1c(Br)cccc1CN1CCn2c(CO)nnc2C1	ZINC000769517630	580238849	/nfs/dbraw/zinc/23/88/49/580238849.db2.gz	QVEDTKNMHZOZQH-UHFFFAOYSA-N	-1	0	339.193	1.254	20	10		EDCDRM
NS(=O)(=O)[C@H]1CCN(Cc2cccc(Br)c2[O-])C1	ZINC000785986845	580657562	/nfs/dbraw/zinc/65/75/62/580657562.db2.gz	ZFUCIDOYAJMUBZ-VIFPVBQESA-N	-1	0	335.223	1.018	20	10		EDCDRM
CN(C)c1cccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1	ZINC000787935268	580710046	/nfs/dbraw/zinc/71/00/46/580710046.db2.gz	NEQFHNCCZDNCIM-UHFFFAOYSA-N	-1	0	336.369	1.957	20	10		EDCDRM
O=S(=O)([N-]c1ccc(OCCCO)cc1)c1cccc2nonc21	ZINC000795376609	580920462	/nfs/dbraw/zinc/92/04/62/580920462.db2.gz	CKGSZVNRFDKWPY-UHFFFAOYSA-N	-1	0	349.368	1.785	20	10		EDCDRM
COc1cc([N-]S(=O)(=O)c2cccc3c2OCCO3)ccc1O	ZINC000797819312	580981673	/nfs/dbraw/zinc/98/16/73/580981673.db2.gz	FFIVHOSWUYRCRB-UHFFFAOYSA-N	-1	0	337.353	1.973	20	10		EDCDRM
COC(=O)[C@]1(O)CC[N@H+](Cc2cc(Br)cc(C)c2O)C1	ZINC000895703726	591254267	/nfs/dbraw/zinc/25/42/67/591254267.db2.gz	OGVRGKNKIJTMAF-AWEZNQCLSA-N	-1	0	344.205	1.573	20	10		EDCDRM
COCc1nc([C@H]2COCCN2Cc2cc(F)cc(F)c2[O-])no1	ZINC000894426489	591309233	/nfs/dbraw/zinc/30/92/33/591309233.db2.gz	BOZGVROZTXSEAX-GFCCVEGCSA-N	-1	0	341.314	1.773	20	10		EDCDRM
O=S1(=O)CC[C@]2(C1)CN(Cc1cc(F)cc(F)c1[O-])CCO2	ZINC000895078101	591570562	/nfs/dbraw/zinc/57/05/62/591570562.db2.gz	CVMSKIFJGYAAOF-CQSZACIVSA-N	-1	0	333.356	1.060	20	10		EDCDRM
O=C([O-])c1coc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	ZINC000911210829	592956106	/nfs/dbraw/zinc/95/61/06/592956106.db2.gz	XPPKGYPKRKQBLN-UHFFFAOYSA-N	-1	0	330.340	1.744	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)C3(C(=O)[O-])CCOCC3)ccc21	ZINC000911302261	592984903	/nfs/dbraw/zinc/98/49/03/592984903.db2.gz	YNJKEJXLIDBXCV-UHFFFAOYSA-N	-1	0	332.400	1.567	20	10		EDCDRM
CN1CCN(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000807837043	593203146	/nfs/dbraw/zinc/20/31/46/593203146.db2.gz	YWUMFJWGCHTGSE-UHFFFAOYSA-N	-1	0	332.231	1.563	20	10		EDCDRM
Cn1cnn(CCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1=O	ZINC000816681929	593540371	/nfs/dbraw/zinc/54/03/71/593540371.db2.gz	KPOVJWOEGFJGTB-UHFFFAOYSA-N	-1	0	345.186	1.301	20	10		EDCDRM
O=C([O-])CCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000819429945	593754305	/nfs/dbraw/zinc/75/43/05/593754305.db2.gz	BZVBUNNQBKLZIG-AWEZNQCLSA-N	-1	0	336.388	1.948	20	10		EDCDRM
CCN(CC)c1ccc(CNS(=O)(=O)N(C)CCC(=O)[O-])cc1	ZINC000829688099	594240396	/nfs/dbraw/zinc/24/03/96/594240396.db2.gz	UOCSOKZTKYTDDP-UHFFFAOYSA-N	-1	0	343.449	1.274	20	10		EDCDRM
O=C([O-])C[C@@H]1CN(C(=O)NCCCSc2nccs2)CCO1	ZINC000833217823	594806454	/nfs/dbraw/zinc/80/64/54/594806454.db2.gz	KLHOHCOFIGLHMT-SNVBAGLBSA-N	-1	0	345.446	1.510	20	10		EDCDRM
C[C@H](C(=O)[O-])C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	ZINC000841768983	594949097	/nfs/dbraw/zinc/94/90/97/594949097.db2.gz	XBDYWTVBHSQYED-XJKSGUPXSA-N	-1	0	334.416	1.981	20	10		EDCDRM
CC[C@@](COC)(NC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-]	ZINC000837299592	595080393	/nfs/dbraw/zinc/08/03/93/595080393.db2.gz	WKAKCEHDBSJNBC-INIZCTEOSA-N	-1	0	341.383	1.571	20	10		EDCDRM
COc1ccc2c(c1)c1c(n2CC(=O)[N-]OCC(N)=O)CCCC1	ZINC000845911949	595095098	/nfs/dbraw/zinc/09/50/98/595095098.db2.gz	FAYQKJRIIGZRJU-UHFFFAOYSA-N	-1	0	331.372	1.062	20	10		EDCDRM
O=C([O-])[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1	ZINC000849364480	595512889	/nfs/dbraw/zinc/51/28/89/595512889.db2.gz	KXOOQHVKBAANMF-OAHLLOKOSA-N	-1	0	336.363	1.389	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)[C@@H]2CCOC2)cc1	ZINC000853007483	595640217	/nfs/dbraw/zinc/64/02/17/595640217.db2.gz	AUZJKMPNYUOVOU-QWHCGFSZSA-N	-1	0	336.388	1.127	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCC(F)(F)F)cc1	ZINC000872905795	597119304	/nfs/dbraw/zinc/11/93/04/597119304.db2.gz	ZOMVHDVAYACQJQ-UHFFFAOYSA-N	-1	0	334.294	1.655	20	10		EDCDRM
O=C([O-])C[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	ZINC000324701663	597126555	/nfs/dbraw/zinc/12/65/55/597126555.db2.gz	AHPCSFWLADWETJ-VIFPVBQESA-N	-1	0	335.316	1.617	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1	ZINC000872976037	597146995	/nfs/dbraw/zinc/14/69/95/597146995.db2.gz	NGJORMUVQJQJDM-CJNGLKHVSA-N	-1	0	348.399	1.224	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCC(C)(C)OC)cc1	ZINC000872995876	597154009	/nfs/dbraw/zinc/15/40/09/597154009.db2.gz	JHPKTQCSWBKCGB-UHFFFAOYSA-N	-1	0	338.404	1.518	20	10		EDCDRM
Cn1cnc(-c2nnc3n2CCN(Cc2ccc(F)c(F)c2[O-])C3)c1	ZINC000877739666	597552222	/nfs/dbraw/zinc/55/22/22/597552222.db2.gz	FIGBSKLNPIAISA-UHFFFAOYSA-N	-1	0	346.341	1.678	20	10		EDCDRM
CC1CCN(c2ccc(CNC(=O)NCCNC(=O)[O-])cc2)CC1	ZINC000739106374	602651669	/nfs/dbraw/zinc/65/16/69/602651669.db2.gz	CXKHOGZLCAKCKM-UHFFFAOYSA-N	-1	0	334.420	1.990	20	10		EDCDRM
Cn1nc2n(c1=O)CCN(Cc1cc(Cl)cc(Cl)c1[O-])C2	ZINC000091965936	441757977	/nfs/dbraw/zinc/75/79/77/441757977.db2.gz	GMNGZQJGMGFGAC-UHFFFAOYSA-N	-1	0	329.187	1.610	20	10		EDCDRM
C[C@@H](O)C(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000093706681	441893863	/nfs/dbraw/zinc/89/38/63/441893863.db2.gz	FBSXMSPVTKGWSL-SECBINFHSA-N	-1	0	333.215	1.724	20	10		EDCDRM
O=C(NC1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)C1CC1	ZINC000297366464	444283829	/nfs/dbraw/zinc/28/38/29/444283829.db2.gz	ICZONPKRWLZDAX-UHFFFAOYSA-N	-1	0	325.752	1.664	20	10		EDCDRM
CCN1CCN(C2CCN(C(=O)c3cccc(O)c3O)CC2)C1=O	ZINC000366154559	446046444	/nfs/dbraw/zinc/04/64/44/446046444.db2.gz	CKGXDCPLAQSCDS-UHFFFAOYSA-N	-1	0	333.388	1.460	20	10		EDCDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCO[C@H]3CCOC[C@@H]32)c1[O-]	ZINC000366488497	446234426	/nfs/dbraw/zinc/23/44/26/446234426.db2.gz	JCMQCHPTZZUVHT-STQMWFEESA-N	-1	0	328.752	1.944	20	10		EDCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(C(N)=O)c2)c1	ZINC000769633723	580241827	/nfs/dbraw/zinc/24/18/27/580241827.db2.gz	OFQCGGLYOZJFAO-UHFFFAOYSA-N	-1	0	349.368	1.115	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1	ZINC000901605312	592410359	/nfs/dbraw/zinc/41/03/59/592410359.db2.gz	QYUXRLGBNMPVQW-GOEBONIOSA-N	-1	0	334.416	1.981	20	10		EDCDRM
Cn1ncc(C(=O)[O-])c1C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000901754363	592459888	/nfs/dbraw/zinc/45/98/88/592459888.db2.gz	MAEMSFFJTFSHIN-UHFFFAOYSA-N	-1	0	328.372	1.431	20	10		EDCDRM
CO[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)[C@@](C)(C(=O)[O-])C1	ZINC000909042577	592712131	/nfs/dbraw/zinc/71/21/31/592712131.db2.gz	HLYVXKNXZOSSJT-CRAIPNDOSA-N	-1	0	349.431	1.835	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@@H]3C(=O)[O-])C2)cc1	ZINC000909130869	592737341	/nfs/dbraw/zinc/73/73/41/592737341.db2.gz	FKPCWMCIBIEYMG-CZUORRHYSA-N	-1	0	347.415	1.780	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)NC3(C(=O)[O-])CCC3)C2)cc1	ZINC000909132666	592737915	/nfs/dbraw/zinc/73/79/15/592737915.db2.gz	XDQMYORESWHVFS-CYBMUJFWSA-N	-1	0	347.415	1.828	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)CN1CCCCCC1=O	ZINC000911484379	592928054	/nfs/dbraw/zinc/92/80/54/592928054.db2.gz	MWCSEUMIADULLA-UHFFFAOYSA-N	-1	0	334.372	1.208	20	10		EDCDRM
C[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)c1ccc(N2CCOCC2)cc1	ZINC000911295224	592982503	/nfs/dbraw/zinc/98/25/03/592982503.db2.gz	XQLOEHSTFDZAOW-MDAWKPQNSA-N	-1	0	344.411	1.955	20	10		EDCDRM
Cc1cnn(CC(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)c1	ZINC000911354207	593002802	/nfs/dbraw/zinc/00/28/02/593002802.db2.gz	OBTXBGJDTFCVMC-UHFFFAOYSA-N	-1	0	337.763	1.664	20	10		EDCDRM
O=C(Cn1ccc(=O)[nH]c1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807838151	593203027	/nfs/dbraw/zinc/20/30/27/593203027.db2.gz	LNMUXCZORWCMKY-UHFFFAOYSA-N	-1	0	344.154	1.278	20	10		EDCDRM
O=S1(=O)CCN(Cc2c(O)cccc2Cl)[C@H]2CCOC[C@H]21	ZINC000839186708	593272692	/nfs/dbraw/zinc/27/26/92/593272692.db2.gz	OBCKLMOUKBNOHG-GXTWGEPZSA-N	-1	0	331.821	1.434	20	10		EDCDRM
C[C@@H](CN(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-]	ZINC000817107235	593570621	/nfs/dbraw/zinc/57/06/21/593570621.db2.gz	AILFSNXFNZBFGU-ZDUSSCGKSA-N	-1	0	347.415	1.082	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000817116364	593572452	/nfs/dbraw/zinc/57/24/52/593572452.db2.gz	TYQHJTIBWOCAJH-SFHVURJKSA-N	-1	0	347.415	1.000	20	10		EDCDRM
CN1CC2(CN(Cc3cccc(Br)c3[O-])C2)OC1=O	ZINC000817413719	593603281	/nfs/dbraw/zinc/60/32/81/593603281.db2.gz	BLJYSFDLXYEBFU-UHFFFAOYSA-N	-1	0	327.178	1.791	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000818657341	593710715	/nfs/dbraw/zinc/71/07/15/593710715.db2.gz	SKKLCLZWYCJZDQ-UHFFFAOYSA-N	-1	0	349.431	1.294	20	10		EDCDRM
C[C@H](CS(=O)(=O)NCc1ccc2c(c1)CCCN2C)C(=O)[O-]	ZINC000827563783	594233699	/nfs/dbraw/zinc/23/36/99/594233699.db2.gz	SBFGVMCDBRFFHS-LLVKDONJSA-N	-1	0	326.418	1.209	20	10		EDCDRM
CN(Cc1ccccc1O)S(=O)(=O)c1ccccc1-c1nn[nH]n1	ZINC000825980460	594296402	/nfs/dbraw/zinc/29/64/02/594296402.db2.gz	ACAVCICCCNZDJG-UHFFFAOYSA-N	-1	0	345.384	1.393	20	10		EDCDRM
COC(=O)/C=C\c1ccc(N(C)[C@H](C)CNC(=O)[O-])c([N+](=O)[O-])c1	ZINC000828647844	594471901	/nfs/dbraw/zinc/47/19/01/594471901.db2.gz	RYXNZRAHCRYVFP-ONRRBMGISA-N	-1	0	337.332	1.873	20	10		EDCDRM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC000830859255	594497774	/nfs/dbraw/zinc/49/77/74/594497774.db2.gz	CMBTWZSRMZZTAU-UHFFFAOYSA-N	-1	0	334.353	1.749	20	10		EDCDRM
O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)NCc1ccc(O)c(O)c1	ZINC000834049835	595000732	/nfs/dbraw/zinc/00/07/32/595000732.db2.gz	SLDFHAUZUHXELL-MRXNPFEDSA-N	-1	0	342.351	1.991	20	10		EDCDRM
CC(C)(C(=O)[O-])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000844252131	595312604	/nfs/dbraw/zinc/31/26/04/595312604.db2.gz	IMOGLOYMOXUCNL-UHFFFAOYSA-N	-1	0	338.379	1.514	20	10		EDCDRM
COC1(CS(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)CCOCC1	ZINC000844661502	595369635	/nfs/dbraw/zinc/36/96/35/595369635.db2.gz	TVFZOJCJNXPDMB-UHFFFAOYSA-N	-1	0	343.401	1.532	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)C2)cc1	ZINC000852954956	595628322	/nfs/dbraw/zinc/62/83/22/595628322.db2.gz	YKHBXGQJYJPZEF-KPZWWZAWSA-N	-1	0	332.400	1.891	20	10		EDCDRM
CCn1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cn1	ZINC000203049234	596329987	/nfs/dbraw/zinc/32/99/87/596329987.db2.gz	PBDZBYAMDZQOPK-POHAHGRESA-N	-1	0	325.415	1.969	20	10		EDCDRM
O=C([O-])c1ccc(F)c(/C=C2\SC(N3CCOCC3)=NC2=O)c1	ZINC000865218013	596516455	/nfs/dbraw/zinc/51/64/55/596516455.db2.gz	PWCSZPFATJAADW-WQLSENKSSA-N	-1	0	336.344	1.826	20	10		EDCDRM
O=C(NCc1cc(Br)ccc1O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000874418120	597069160	/nfs/dbraw/zinc/06/91/60/597069160.db2.gz	ZMICPHVFVLVXLC-WKFQBHICSA-N	-1	0	343.177	1.817	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC[C@H](OC)C2)cc1	ZINC000872903765	597117799	/nfs/dbraw/zinc/11/77/99/597117799.db2.gz	SUOJHWIYEDVSBV-HNNXBMFYSA-N	-1	0	336.388	1.224	20	10		EDCDRM
Cc1cc(C)nc(N2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)n1	ZINC000128391207	237190106	/nfs/dbraw/zinc/19/01/06/237190106.db2.gz	AFLIICDGKPNEBC-UHFFFAOYSA-N	-1	0	342.399	1.775	20	10		EDCDRM
CN(C)c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1	ZINC000237093331	249302057	/nfs/dbraw/zinc/30/20/57/249302057.db2.gz	MJYCEWAUMBKYSE-UHFFFAOYSA-N	-1	0	337.401	1.268	20	10		EDCDRM
CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1O	ZINC000187191658	442660009	/nfs/dbraw/zinc/66/00/09/442660009.db2.gz	USSKXSXDDUXACE-QMMMGPOBSA-N	-1	0	337.239	1.355	20	10		EDCDRM
COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cccc(Cl)c1[O-]	ZINC000272536160	443355163	/nfs/dbraw/zinc/35/51/63/443355163.db2.gz	NZGDJVUNOBZNCK-GXFFZTMASA-N	-1	0	341.791	1.972	20	10		EDCDRM
CO[C@H]1COC[C@@H]1NC(=O)NCc1cccc(Br)c1O	ZINC000291289236	443755545	/nfs/dbraw/zinc/75/55/45/443755545.db2.gz	SLULFWPGOWWRKR-QWRGUYRKSA-N	-1	0	345.193	1.368	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)[C@H]3CCCN3C(=O)[O-])CC2)cc1	ZINC000739908965	579266300	/nfs/dbraw/zinc/26/63/00/579266300.db2.gz	IDIWJGOPZNIWJM-MRXNPFEDSA-N	-1	0	347.415	1.923	20	10		EDCDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)o1	ZINC000773230134	580331211	/nfs/dbraw/zinc/33/12/11/580331211.db2.gz	CUVZDLFCTKHBLE-UHFFFAOYSA-N	-1	0	330.387	1.760	20	10		EDCDRM
O=C([O-])[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc2nonc21	ZINC000775289089	580387406	/nfs/dbraw/zinc/38/74/06/580387406.db2.gz	QFVILZNKGFMPKD-LBPRGKRZSA-N	-1	0	345.336	1.427	20	10		EDCDRM
O=C(NCCO)c1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000798080936	580987130	/nfs/dbraw/zinc/98/71/30/580987130.db2.gz	REDLCZLPDJJBMI-UHFFFAOYSA-N	-1	0	331.328	1.635	20	10		EDCDRM
CCN(CC)c1ccc(CN(C)C(=O)c2cn(CC(=O)[O-])nn2)cc1	ZINC000901860881	591849133	/nfs/dbraw/zinc/84/91/33/591849133.db2.gz	YKHSTIQKZUTJCM-UHFFFAOYSA-N	-1	0	345.403	1.481	20	10		EDCDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)NCc1ccc(N(C)C)cc1	ZINC000908757571	592600797	/nfs/dbraw/zinc/60/07/97/592600797.db2.gz	CCMXRIYWFJDIBD-OAHLLOKOSA-N	-1	0	337.420	1.772	20	10		EDCDRM
C[C@H]1C[C@@H](C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)CO1	ZINC000911360399	593005810	/nfs/dbraw/zinc/00/58/10/593005810.db2.gz	RPVGCZFFEMWTCN-GXSJLCMTSA-N	-1	0	327.764	1.884	20	10		EDCDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000736633008	593021768	/nfs/dbraw/zinc/02/17/68/593021768.db2.gz	ITAHEBKDCJJCSJ-CZUORRHYSA-N	-1	0	349.431	1.993	20	10		EDCDRM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCO[C@@H](C)C2)c1	ZINC000813175270	593521425	/nfs/dbraw/zinc/52/14/25/593521425.db2.gz	MIAFIMSJFZANKC-AWEZNQCLSA-N	-1	0	348.443	1.648	20	10		EDCDRM
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000817114404	593572019	/nfs/dbraw/zinc/57/20/19/593572019.db2.gz	HSFIHNLVIFWZOT-ZDUSSCGKSA-N	-1	0	349.431	1.089	20	10		EDCDRM
CS[C@H](C)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000829704550	594244423	/nfs/dbraw/zinc/24/44/23/594244423.db2.gz	RSGBHCSMRYLLHV-ZWNOBZJWSA-N	-1	0	325.434	1.929	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)CC2)cc1	ZINC000829423492	594611180	/nfs/dbraw/zinc/61/11/80/594611180.db2.gz	HOCKUHUCUHPVBB-KGLIPLIRSA-N	-1	0	347.415	1.780	20	10		EDCDRM
O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCCCSc1nccs1	ZINC000831381496	594619321	/nfs/dbraw/zinc/61/93/21/594619321.db2.gz	KSNKSKFCWJDJGX-JTQLQIEISA-N	-1	0	345.446	1.510	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1	ZINC000829484324	594623892	/nfs/dbraw/zinc/62/38/92/594623892.db2.gz	RKPVWQNKEIUGIR-YHWZYXNKSA-N	-1	0	349.387	1.873	20	10		EDCDRM
O=C([O-])C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1	ZINC000833219024	594806776	/nfs/dbraw/zinc/80/67/76/594806776.db2.gz	VKASZTHZBVYLKC-INIZCTEOSA-N	-1	0	345.399	1.448	20	10		EDCDRM
COc1cc(O)c(C[N@H+](CCC(=O)[O-])C2CCOCC2)cc1OC	ZINC000833728862	594917358	/nfs/dbraw/zinc/91/73/58/594917358.db2.gz	BAPYQPMMALTFBA-UHFFFAOYSA-N	-1	0	339.388	1.865	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CCN(CCCO)CC2)c([N+](=O)[O-])c1	ZINC000844209415	595302532	/nfs/dbraw/zinc/30/25/32/595302532.db2.gz	SHKQWSOAJWMRSN-HYXAFXHYSA-N	-1	0	335.360	1.197	20	10		EDCDRM
O=C([O-])[C@@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC=CCC1	ZINC000846710744	595305302	/nfs/dbraw/zinc/30/53/02/595305302.db2.gz	QTPPWYIKVAINQI-IBGZPJMESA-N	-1	0	344.411	1.951	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000848611659	595417848	/nfs/dbraw/zinc/41/78/48/595417848.db2.gz	RHWRRTJVGFKFGJ-OAHLLOKOSA-N	-1	0	349.431	1.150	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)c2ccn(C)n2)cc1	ZINC000853011703	595641677	/nfs/dbraw/zinc/64/16/77/595641677.db2.gz	YXEDPDXYQZSPNE-GFCCVEGCSA-N	-1	0	346.387	1.197	20	10		EDCDRM
O=C(CC[C@H]1NC(=O)NC1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000854476021	596092564	/nfs/dbraw/zinc/09/25/64/596092564.db2.gz	ZMSVHHMXJFZNCA-SECBINFHSA-N	-1	0	346.170	1.303	20	10		EDCDRM
O=C([O-])c1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1F	ZINC000863181918	596514114	/nfs/dbraw/zinc/51/41/14/596514114.db2.gz	UVHCDSQKEZKPHN-WQLSENKSSA-N	-1	0	336.344	1.826	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H](C)SC)cc1	ZINC000872963091	597141805	/nfs/dbraw/zinc/14/18/05/597141805.db2.gz	FITVSGSRRACDHZ-NSHDSACASA-N	-1	0	326.418	1.454	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)[C@H]2C[C@@H](OC)C2)cc1	ZINC000872985910	597151100	/nfs/dbraw/zinc/15/11/00/597151100.db2.gz	GWSCJTNSSOJLHO-OTVXOJSOSA-N	-1	0	336.388	1.222	20	10		EDCDRM
COCc1nc([C@H]2COCCN2Cc2ccc(F)c(F)c2[O-])no1	ZINC000877173406	597451835	/nfs/dbraw/zinc/45/18/35/597451835.db2.gz	CVNDICFWOBYARP-LLVKDONJSA-N	-1	0	341.314	1.773	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](N(C)C(=O)[O-])C2)cc1	ZINC000739616340	601976788	/nfs/dbraw/zinc/97/67/88/601976788.db2.gz	AODZQGDZJAJJQD-MRXNPFEDSA-N	-1	0	348.447	1.443	20	10		EDCDRM
COC(=O)[C@@H]1CCN(Cc2cccc(Cl)c2[O-])[C@@H](C(=O)OC)C1	ZINC000272536162	284063203	/nfs/dbraw/zinc/06/32/03/284063203.db2.gz	NZGDJVUNOBZNCK-ZWNOBZJWSA-N	-1	0	341.791	1.972	20	10		EDCDRM
COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000276127330	291619428	/nfs/dbraw/zinc/61/94/28/291619428.db2.gz	BZNPFVXNNBXIDD-RYUDHWBXSA-N	-1	0	344.751	1.452	20	10		EDCDRM
CO[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	ZINC000263941111	443242674	/nfs/dbraw/zinc/24/26/74/443242674.db2.gz	HFKBDBSXOJXKPQ-LLVKDONJSA-N	-1	0	328.390	1.015	20	10		EDCDRM
CCNS(=O)(=O)[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000191466653	443298636	/nfs/dbraw/zinc/29/86/36/443298636.db2.gz	BQCHRYRVMCDGRB-VIFPVBQESA-N	-1	0	336.816	1.698	20	10		EDCDRM
COc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)ccc1O	ZINC000280628631	443738797	/nfs/dbraw/zinc/73/87/97/443738797.db2.gz	SNYZREHHLQKVPE-UHFFFAOYSA-N	-1	0	331.781	1.897	20	10		EDCDRM
CO[C@H]1C[C@@H](C(N)=O)N(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000284502629	443777722	/nfs/dbraw/zinc/77/77/22/443777722.db2.gz	HHMAMNKTLSSHSL-ONGXEEELSA-N	-1	0	329.740	1.028	20	10		EDCDRM
COc1ccc2c(c1)c1c(n2CC(=O)NCc2nnn[n-]2)CCCC1	ZINC000651307297	453453209	/nfs/dbraw/zinc/45/32/09/453453209.db2.gz	SOZRHTOLLCASHZ-UHFFFAOYSA-N	-1	0	340.387	1.358	20	10		EDCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cnc(N2CCCC2)nc1	ZINC000728699355	578550680	/nfs/dbraw/zinc/55/06/80/578550680.db2.gz	SJDALKGPBGSTDF-GDNBJRDFSA-N	-1	0	335.367	1.538	20	10		EDCDRM
CN(CCCNC(=O)[O-])C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000739674781	579234650	/nfs/dbraw/zinc/23/46/50/579234650.db2.gz	ALBNGNARIKVLMV-UHFFFAOYSA-N	-1	0	332.404	1.862	20	10		EDCDRM
O=C1CC[C@@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CCN12	ZINC000769208078	580230928	/nfs/dbraw/zinc/23/09/28/580230928.db2.gz	UOMHUMBAJGLXDS-LLVKDONJSA-N	-1	0	325.752	1.760	20	10		EDCDRM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(O)c2O)c1	ZINC000776316235	580414736	/nfs/dbraw/zinc/41/47/36/580414736.db2.gz	GYQNQSVDYRIINW-UHFFFAOYSA-N	-1	0	337.353	1.849	20	10		EDCDRM
CCOC(=O)CCCS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000776434723	580417253	/nfs/dbraw/zinc/41/72/53/580417253.db2.gz	LLKXQXNTDKPKNC-UHFFFAOYSA-N	-1	0	331.346	1.175	20	10		EDCDRM
CC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000780477500	580523976	/nfs/dbraw/zinc/52/39/76/580523976.db2.gz	AQRFXSPJRQESQR-WFASDCNBSA-N	-1	0	335.404	1.747	20	10		EDCDRM
COc1ccc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c(O)c1	ZINC000794380674	580889614	/nfs/dbraw/zinc/88/96/14/580889614.db2.gz	AGPRZKRRCDQLNR-UHFFFAOYSA-N	-1	0	342.311	1.080	20	10		EDCDRM
COc1cc([N-]S(=O)(=O)c2cc(Cl)cnc2N)ccc1O	ZINC000797820467	580981757	/nfs/dbraw/zinc/98/17/57/580981757.db2.gz	ZBKCSTHWAPZVNG-UHFFFAOYSA-N	-1	0	329.765	1.832	20	10		EDCDRM
COCCCN(Cc1cc(F)cc(F)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000893910351	591134004	/nfs/dbraw/zinc/13/40/04/591134004.db2.gz	DNHNHZPGXDNZIU-ZDUSSCGKSA-N	-1	0	349.399	1.696	20	10		EDCDRM
C[C@H](O)[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCO1	ZINC000895015680	591524154	/nfs/dbraw/zinc/52/41/54/591524154.db2.gz	HSSHKJRXWZSLNS-QPUJVOFHSA-N	-1	0	334.185	1.875	20	10		EDCDRM
CN(C)S(=O)(=O)n1ccnc1CNCc1cccc(Cl)c1[O-]	ZINC000898218933	591821911	/nfs/dbraw/zinc/82/19/11/591821911.db2.gz	SSVFSMWXAXTUBD-UHFFFAOYSA-N	-1	0	344.824	1.186	20	10		EDCDRM
C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)c1c(F)ccc(O)c1O)O2	ZINC000899485992	591825708	/nfs/dbraw/zinc/82/57/08/591825708.db2.gz	XMUKHUMMANQJRV-WMEBDMIVSA-N	-1	0	339.363	1.939	20	10		EDCDRM
Cn1nc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)cc1C(F)F	ZINC000907831132	592808476	/nfs/dbraw/zinc/80/84/76/592808476.db2.gz	DOOIRQBJOVGHQH-UHFFFAOYSA-N	-1	0	339.298	1.790	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]3C(=O)[O-])CC2)c(OC)c1	ZINC000911165439	592943426	/nfs/dbraw/zinc/94/34/26/592943426.db2.gz	KLHJNOCACIISLL-KGLIPLIRSA-N	-1	0	348.399	1.463	20	10		EDCDRM
Cn1cc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])nn1	ZINC000805275708	593429674	/nfs/dbraw/zinc/42/96/74/593429674.db2.gz	NNQWXEKWCTXDQT-UHFFFAOYSA-N	-1	0	330.175	1.827	20	10		EDCDRM
C[S@@](=O)CCN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000816514884	593528978	/nfs/dbraw/zinc/52/89/78/593528978.db2.gz	JYPBXUZFKNRTAI-OAQYLSRUSA-N	-1	0	334.844	1.681	20	10		EDCDRM
CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](CO)O1	ZINC000817412067	593603199	/nfs/dbraw/zinc/60/31/99/593603199.db2.gz	CHFDJJHZJSNGFF-LLVKDONJSA-N	-1	0	330.768	1.926	20	10		EDCDRM
Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H](C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000818772813	593718914	/nfs/dbraw/zinc/71/89/14/593718914.db2.gz	ZGSRMXNBSLAYKJ-QMMMGPOBSA-N	-1	0	325.277	1.215	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)CCCc3nnn[n-]3)CC2)cc1F	ZINC000820720907	593871300	/nfs/dbraw/zinc/87/13/00/593871300.db2.gz	NEOZAOOTAPALQF-UHFFFAOYSA-N	-1	0	348.382	1.019	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCCO2)NC(=O)[O-])cc1	ZINC000828063176	594332928	/nfs/dbraw/zinc/33/29/28/594332928.db2.gz	BGZYOEGBCVGJIJ-GJZGRUSLSA-N	-1	0	335.404	1.747	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)Cn2ccnc2)NC(=O)[O-])cc1	ZINC000828064783	594333670	/nfs/dbraw/zinc/33/36/70/594333670.db2.gz	YFZYZJKUJQLCOJ-AWEZNQCLSA-N	-1	0	331.376	1.074	20	10		EDCDRM
C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H]1C(=O)[O-]	ZINC000828363677	594401568	/nfs/dbraw/zinc/40/15/68/594401568.db2.gz	YCFNSJWSWTXQDQ-BBRMVZONSA-N	-1	0	347.415	1.385	20	10		EDCDRM
COC(=O)/C=C/c1ccc(N2CC[C@@](F)(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000831119452	594561589	/nfs/dbraw/zinc/56/15/89/594561589.db2.gz	ODKWQUMRKHLEQD-UJAVWCLSSA-N	-1	0	338.291	1.784	20	10		EDCDRM
O=C(/C=C\c1ccc(O)c(O)c1)N1CC(CNC(=O)C(F)(F)F)C1	ZINC000831134888	594565324	/nfs/dbraw/zinc/56/53/24/594565324.db2.gz	QVTMXMOVMKYQIQ-RQOWECAXSA-N	-1	0	344.289	1.248	20	10		EDCDRM
O=C([O-])N1CSC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000831708771	594694720	/nfs/dbraw/zinc/69/47/20/594694720.db2.gz	KQRSVIKQBJJAHN-CYBMUJFWSA-N	-1	0	336.413	1.940	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CCN3C(=O)OC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000833195679	594803766	/nfs/dbraw/zinc/80/37/66/594803766.db2.gz	INDZJNRTTFFNCJ-FWEMWIAWSA-N	-1	0	333.300	1.333	20	10		EDCDRM
O=C([O-])C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCO1	ZINC000833218901	594806752	/nfs/dbraw/zinc/80/67/52/594806752.db2.gz	UNPUTWWKCLQYPD-MRXNPFEDSA-N	-1	0	347.415	1.672	20	10		EDCDRM
O=C([O-])CCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000843328343	595075100	/nfs/dbraw/zinc/07/51/00/595075100.db2.gz	JFQBADKGRDDVHD-UHFFFAOYSA-N	-1	0	334.416	1.766	20	10		EDCDRM
Cc1noc([C@H](C)N(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)n1	ZINC000848712300	595434337	/nfs/dbraw/zinc/43/43/37/595434337.db2.gz	HUMVCRHUBBIYPG-ZETCQYMHSA-N	-1	0	332.320	1.018	20	10		EDCDRM
O=C([O-])CSCC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000851703743	595891388	/nfs/dbraw/zinc/89/13/88/595891388.db2.gz	YJGPIERGPNPBJZ-UHFFFAOYSA-N	-1	0	338.429	1.082	20	10		EDCDRM
C[C@@H](NC(=O)N1CC(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000857097119	596156744	/nfs/dbraw/zinc/15/67/44/596156744.db2.gz	LWIZNHUKXGTABV-GFCCVEGCSA-N	-1	0	333.388	1.310	20	10		EDCDRM
O=C([O-])C[NH+]1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1	ZINC000874049349	596907567	/nfs/dbraw/zinc/90/75/67/596907567.db2.gz	DUEADEBIINECLV-UHFFFAOYSA-N	-1	0	343.221	1.793	20	10		EDCDRM
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000874388433	597053853	/nfs/dbraw/zinc/05/38/53/597053853.db2.gz	SVRFHZZQZZCBFH-OKILXGFUSA-N	-1	0	333.388	1.186	20	10		EDCDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	ZINC000872873995	597105637	/nfs/dbraw/zinc/10/56/37/597105637.db2.gz	RSPVUXNYYJTYRI-WDEREUQCSA-N	-1	0	340.326	1.138	20	10		EDCDRM
O=C([O-])N1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	ZINC000738647121	602837837	/nfs/dbraw/zinc/83/78/37/602837837.db2.gz	FAXCEVXIIQZTPB-UHFFFAOYSA-N	-1	0	330.388	1.568	20	10		EDCDRM
O=C([O-])CN1C(=O)/C(=C\c2cc3c(cc2O)OCO3)SC1=S	ZINC000920398381	697425948	/nfs/dbraw/zinc/42/59/48/697425948.db2.gz	ZWDQJLYQIREONU-WTDSWWLTSA-N	-1	0	339.350	1.407	20	10		EDCDRM
COCCCn1nccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000282579342	443380738	/nfs/dbraw/zinc/38/07/38/443380738.db2.gz	CNLJAGJALCTXEJ-YFHOEESVSA-N	-1	0	341.414	1.205	20	10		EDCDRM
O=C([O-])N1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000740447795	579348331	/nfs/dbraw/zinc/34/83/31/579348331.db2.gz	NYZQMTKNFMOXHC-CQSZACIVSA-N	-1	0	332.404	1.838	20	10		EDCDRM
O=S(=O)([N-]c1cccc(-n2ccnn2)c1)c1cccc2nonc21	ZINC000767748546	580198464	/nfs/dbraw/zinc/19/84/64/580198464.db2.gz	HDOIDAZTPCVPML-UHFFFAOYSA-N	-1	0	342.340	1.604	20	10		EDCDRM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cn1	ZINC000776748985	580427689	/nfs/dbraw/zinc/42/76/89/580427689.db2.gz	SQJFIGKSHHULQE-UHFFFAOYSA-N	-1	0	345.764	1.216	20	10		EDCDRM
COC(=O)c1nscc1S(=O)(=O)[N-]c1ccc(O)c(C)c1	ZINC000776748517	580427715	/nfs/dbraw/zinc/42/77/15/580427715.db2.gz	MKMPHYBIVQVYOW-UHFFFAOYSA-N	-1	0	328.371	1.745	20	10		EDCDRM
C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)c1c(F)ccc(O)c1O)O2	ZINC000899485990	591825690	/nfs/dbraw/zinc/82/56/90/591825690.db2.gz	XMUKHUMMANQJRV-IBXUITPSSA-N	-1	0	339.363	1.939	20	10		EDCDRM
CSC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-]	ZINC000908847117	592640519	/nfs/dbraw/zinc/64/05/19/592640519.db2.gz	IOAQWQZERKIJBC-CQSZACIVSA-N	-1	0	337.445	1.902	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)c1cc(C(=O)[O-])ncn1	ZINC000906140013	592751820	/nfs/dbraw/zinc/75/18/20/592751820.db2.gz	NVHVNPYFNSNLHM-UHFFFAOYSA-N	-1	0	328.372	1.648	20	10		EDCDRM
CCOCCO[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911484618	592928529	/nfs/dbraw/zinc/92/85/29/592928529.db2.gz	DOMJDFVLPZTEBS-LBPRGKRZSA-N	-1	0	325.361	1.247	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1	ZINC000911117652	592936622	/nfs/dbraw/zinc/93/66/22/592936622.db2.gz	AISJGYLYVDJQCC-RCBQFDQVSA-N	-1	0	334.416	1.979	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1cnn2c1CCC2	ZINC000911359571	593005518	/nfs/dbraw/zinc/00/55/18/593005518.db2.gz	BHJLLLVFFABWTF-UHFFFAOYSA-N	-1	0	349.774	1.915	20	10		EDCDRM
O=S(=O)(NCc1cc(Cl)cc(Cl)c1[O-])N1CCOCC1	ZINC000805135288	593364747	/nfs/dbraw/zinc/36/47/47/593364747.db2.gz	IELHACSFDNBGQL-UHFFFAOYSA-N	-1	0	341.216	1.366	20	10		EDCDRM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2=CC(=O)CS2)c1	ZINC000812362522	593499782	/nfs/dbraw/zinc/49/97/82/593499782.db2.gz	YNQZCIQJFXHVAX-UHFFFAOYSA-N	-1	0	328.371	1.320	20	10		EDCDRM
COCCn1nnc2c1CCN(Cc1cc(Cl)cc(F)c1[O-])C2	ZINC000816637043	593536473	/nfs/dbraw/zinc/53/64/73/593536473.db2.gz	PGYCSVVJAJINLQ-UHFFFAOYSA-N	-1	0	340.786	1.981	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000817888335	593645180	/nfs/dbraw/zinc/64/51/80/593645180.db2.gz	FIAHUEXSDNZMIY-CQSZACIVSA-N	-1	0	347.415	1.034	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCOCC1CC1	ZINC000818048462	593661254	/nfs/dbraw/zinc/66/12/54/593661254.db2.gz	ORPZTWAJOKKSSC-UHFFFAOYSA-N	-1	0	329.374	1.347	20	10		EDCDRM
Cc1cc(=O)n(C)cc1NS(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000821185835	593985604	/nfs/dbraw/zinc/98/56/04/593985604.db2.gz	RHNOYCUSSFKVMK-UHFFFAOYSA-N	-1	0	330.312	1.478	20	10		EDCDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000824862602	594086421	/nfs/dbraw/zinc/08/64/21/594086421.db2.gz	OEUSSOGVYQQSSS-ZDUSSCGKSA-N	-1	0	335.404	1.385	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)c1O	ZINC000823627075	594222769	/nfs/dbraw/zinc/22/27/69/594222769.db2.gz	DKMIOGGTXKOYAE-OTYXRUKQSA-N	-1	0	340.351	1.591	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cnsn2)NC(=O)[O-])cc1	ZINC000828063396	594333111	/nfs/dbraw/zinc/33/31/11/594333111.db2.gz	FNKBENVXTJBRRT-LLVKDONJSA-N	-1	0	335.389	1.343	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccn(C)c2)NC(=O)[O-])cc1	ZINC000828064551	594333601	/nfs/dbraw/zinc/33/36/01/594333601.db2.gz	SFAXWVLEUOXMSE-HNNXBMFYSA-N	-1	0	330.388	1.830	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cc1	ZINC000828067740	594334227	/nfs/dbraw/zinc/33/42/27/594334227.db2.gz	LINXEKCCFDFNTD-DZGCQCFKSA-N	-1	0	334.420	1.988	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)NC(C)(C)CNC(=O)[O-])ccc21	ZINC000828486017	594434111	/nfs/dbraw/zinc/43/41/11/594434111.db2.gz	AYPORAFVODJNDT-UHFFFAOYSA-N	-1	0	334.420	1.914	20	10		EDCDRM
O=C([O-])NC[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	ZINC000832594885	594762342	/nfs/dbraw/zinc/76/23/42/594762342.db2.gz	IGWDOPHKXUTHRU-MRVPVSSYSA-N	-1	0	336.304	1.020	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CC(=O)N[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1	ZINC000833196313	594803823	/nfs/dbraw/zinc/80/38/23/594803823.db2.gz	QRFSRKGKCLGQNG-ZYARKTQMSA-N	-1	0	345.355	1.940	20	10		EDCDRM
O=C([O-])c1cnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1	ZINC000833338028	594829701	/nfs/dbraw/zinc/82/97/01/594829701.db2.gz	QSYMDWZPAPELSH-UHFFFAOYSA-N	-1	0	346.362	1.887	20	10		EDCDRM
Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@](C)(C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000841495724	594909518	/nfs/dbraw/zinc/90/95/18/594909518.db2.gz	RQMNQOGJEQCGKN-AWEZNQCLSA-N	-1	0	339.304	1.605	20	10		EDCDRM
O=C([O-])NC1(C(=O)NCc2ccc(O)c(O)c2)Cc2ccccc2C1	ZINC000834150347	595029852	/nfs/dbraw/zinc/02/98/52/595029852.db2.gz	AIBKHEDINFVJON-UHFFFAOYSA-N	-1	0	342.351	1.519	20	10		EDCDRM
O=C([O-])NCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1	ZINC000834241178	595065666	/nfs/dbraw/zinc/06/56/66/595065666.db2.gz	PWUVHPXJQSFGFZ-GFCCVEGCSA-N	-1	0	339.367	1.127	20	10		EDCDRM
O=C([O-])c1cncnc1NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000844208576	595302494	/nfs/dbraw/zinc/30/24/94/595302494.db2.gz	RWECYWSKAUBRPM-UHFFFAOYSA-N	-1	0	346.362	1.887	20	10		EDCDRM
COc1ccc(N(C)CCN(C)C(=O)CSCC(=O)[O-])cc1	ZINC000846719051	595306449	/nfs/dbraw/zinc/30/64/49/595306449.db2.gz	ZXEHIQFSNSPODK-UHFFFAOYSA-N	-1	0	326.418	1.408	20	10		EDCDRM
COC1CCN(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000849307645	595503888	/nfs/dbraw/zinc/50/38/88/595503888.db2.gz	AWOMJSBVUYMMSM-UHFFFAOYSA-N	-1	0	331.350	1.068	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)[C@](C)(OC)C(=O)[O-])cc1F	ZINC000852952157	595626325	/nfs/dbraw/zinc/62/63/25/595626325.db2.gz	UILROORYBQLGLY-INIZCTEOSA-N	-1	0	326.368	1.778	20	10		EDCDRM
COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1O	ZINC000854242599	596012912	/nfs/dbraw/zinc/01/29/12/596012912.db2.gz	NQFIPJRIYVRUMN-MEBBXXQBSA-N	-1	0	327.764	1.587	20	10		EDCDRM
CCOC[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000863480754	596593424	/nfs/dbraw/zinc/59/34/24/596593424.db2.gz	REQYEDLYRAEIFZ-DIECRNLCSA-N	-1	0	336.344	1.934	20	10		EDCDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000874382336	597049756	/nfs/dbraw/zinc/04/97/56/597049756.db2.gz	AYGSUTZHFKYDLQ-QGZVFWFLSA-N	-1	0	335.404	1.385	20	10		EDCDRM
O=C([O-])[C@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	ZINC000874424569	597071929	/nfs/dbraw/zinc/07/19/29/597071929.db2.gz	ATEYKFWIDHRBCN-KKUMJFAQSA-N	-1	0	348.399	1.946	20	10		EDCDRM
O=S(=O)(C1CC1)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000877650849	597544807	/nfs/dbraw/zinc/54/48/07/597544807.db2.gz	OLYYDSOCUGHZPY-UHFFFAOYSA-N	-1	0	332.372	1.280	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)C(C)(C)NC(=O)[O-])CC2)cc1	ZINC000738024003	600157484	/nfs/dbraw/zinc/15/74/84/600157484.db2.gz	WZOLDPREBPHZOV-UHFFFAOYSA-N	-1	0	335.404	1.780	20	10		EDCDRM
CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000739241997	602135802	/nfs/dbraw/zinc/13/58/02/602135802.db2.gz	SYDVQRBBRNLAQS-BBRMVZONSA-N	-1	0	349.431	1.822	20	10		EDCDRM
C[C@H]1CN(C(=O)[O-])CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000739160315	602751472	/nfs/dbraw/zinc/75/14/72/602751472.db2.gz	LAQNOKCZIWIEHL-AWEZNQCLSA-N	-1	0	348.447	1.395	20	10		EDCDRM
COCCN1C(=O)C(=CNc2ccccc2Cl)C(=O)NC1=S	ZINC000920976752	697501085	/nfs/dbraw/zinc/50/10/85/697501085.db2.gz	SKBAYLAMYDMVJM-CMDGGOBGSA-N	-1	0	339.804	1.526	20	10		EDCDRM
COC(=O)C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000271196005	443494545	/nfs/dbraw/zinc/49/45/45/443494545.db2.gz	RIFGYWYQRRBTOR-NSHDSACASA-N	-1	0	344.751	1.718	20	10		EDCDRM
COCCN(Cc1cccc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000290537999	444293075	/nfs/dbraw/zinc/29/30/75/444293075.db2.gz	RBVHLCWIALOHTN-GFCCVEGCSA-N	-1	0	333.837	1.681	20	10		EDCDRM
C[C@H](O)c1cn(C2CN(Cc3c([O-])ccc(Cl)c3F)C2)nn1	ZINC000370622607	446361573	/nfs/dbraw/zinc/36/15/73/446361573.db2.gz	POPWAELXNBQFDQ-QMMMGPOBSA-N	-1	0	326.759	1.886	20	10		EDCDRM
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000740446390	579347996	/nfs/dbraw/zinc/34/79/96/579347996.db2.gz	FELWKPGVUKESIS-GJZGRUSLSA-N	-1	0	333.388	1.016	20	10		EDCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cnc(N2CCCC2)nc1	ZINC000728699356	578550672	/nfs/dbraw/zinc/55/06/72/578550672.db2.gz	SJDALKGPBGSTDF-XNTDXEJSSA-N	-1	0	335.367	1.538	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1	ZINC000760456367	580031246	/nfs/dbraw/zinc/03/12/46/580031246.db2.gz	ZLSIMGHMUAHMQY-UHFFFAOYSA-N	-1	0	334.294	1.474	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)[C@H]3CCN(C(=O)[O-])C3)CC2)cc1	ZINC000739907489	579265995	/nfs/dbraw/zinc/26/59/95/579265995.db2.gz	DVQFKUKWSQTWAA-AWEZNQCLSA-N	-1	0	347.415	1.734	20	10		EDCDRM
C[C@H](NC(=O)N1CCC[C@H]1C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000780477895	580523988	/nfs/dbraw/zinc/52/39/88/580523988.db2.gz	GLVJBQFVJICFRQ-BBRMVZONSA-N	-1	0	347.415	1.843	20	10		EDCDRM
Cn1ncc(Br)c1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O	ZINC000782325052	580571987	/nfs/dbraw/zinc/57/19/87/580571987.db2.gz	KPFVVXYZBKIIIJ-JXMROGBWSA-N	-1	0	347.172	1.644	20	10		EDCDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC000790410742	580769002	/nfs/dbraw/zinc/76/90/02/580769002.db2.gz	CAZYBOBNXNAXHV-UHFFFAOYSA-N	-1	0	331.781	1.979	20	10		EDCDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000790411250	580769014	/nfs/dbraw/zinc/76/90/14/580769014.db2.gz	HTWJXOLDCBFYPA-UHFFFAOYSA-N	-1	0	341.341	1.971	20	10		EDCDRM
C[C@@H](NC(=O)NC1(C(=O)[O-])CCC1)c1ccc(N2CCOCC2)cc1	ZINC000797715410	580979560	/nfs/dbraw/zinc/97/95/60/580979560.db2.gz	PJDPFINJWZSJEV-CYBMUJFWSA-N	-1	0	347.415	1.891	20	10		EDCDRM
COc1ccc(C(=O)[O-])cc1/C=C1\SC(N2CCOCC2)=NC1=O	ZINC000899344174	591786079	/nfs/dbraw/zinc/78/60/79/591786079.db2.gz	NBVLGEVPSHRBBH-LCYFTJDESA-N	-1	0	348.380	1.696	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)[C@H]3CO[C@H](CCC(=O)[O-])C3)ccc21	ZINC000901755660	592459916	/nfs/dbraw/zinc/45/99/16/592459916.db2.gz	VEXNHBFDDHJEFW-HZPDHXFCSA-N	-1	0	346.427	1.955	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909042601	592712096	/nfs/dbraw/zinc/71/20/96/592712096.db2.gz	ICSJJQAJTUSQCA-GDBMZVCRSA-N	-1	0	349.431	1.740	20	10		EDCDRM
COc1ccc(N2CCN(c3ccc(C(=O)[O-])nn3)CC2)c(OC)c1	ZINC000910340166	592837706	/nfs/dbraw/zinc/83/77/06/592837706.db2.gz	PQRQYNHTKIXOAO-UHFFFAOYSA-N	-1	0	344.371	1.519	20	10		EDCDRM
C/C(=C/C(=O)N(CC(=O)[O-])Cc1ccccc1O)CN1CCOCC1	ZINC000911490557	592929786	/nfs/dbraw/zinc/92/97/86/592929786.db2.gz	ZOQXLUXSYXRVGI-UVTDQMKNSA-N	-1	0	348.399	1.084	20	10		EDCDRM
CSCCO[N-]C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	ZINC000807675035	593189385	/nfs/dbraw/zinc/18/93/85/593189385.db2.gz	SZLABKRNZUXMLC-LLVKDONJSA-N	-1	0	325.434	1.341	20	10		EDCDRM
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCCc1nnn[n-]1	ZINC000823662209	593828032	/nfs/dbraw/zinc/82/80/32/593828032.db2.gz	IDGHNOMUHDKVAM-CYBMUJFWSA-N	-1	0	330.436	1.644	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCOC2)NC(=O)[O-])cc1	ZINC000828057038	594331748	/nfs/dbraw/zinc/33/17/48/594331748.db2.gz	YKEMQEHVIUYDKE-ZFWWWQNUSA-N	-1	0	335.404	1.604	20	10		EDCDRM
CN(C)c1ccc(CN(C(=O)NC2CN(C(=O)[O-])C2)C2CC2)cc1	ZINC000828067157	594334168	/nfs/dbraw/zinc/33/41/68/594334168.db2.gz	GEYOGYLNFVFTIO-UHFFFAOYSA-N	-1	0	332.404	1.789	20	10		EDCDRM
Cn1[n-]c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1=O	ZINC000828155838	594353032	/nfs/dbraw/zinc/35/30/32/594353032.db2.gz	CQOAUZKLXQYACL-UHFFFAOYSA-N	-1	0	344.415	1.264	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](N(C)C(=O)[O-])C2)cc1	ZINC000828355538	594399769	/nfs/dbraw/zinc/39/97/69/594399769.db2.gz	MTDJPPPRMJKMBY-INIZCTEOSA-N	-1	0	348.447	1.395	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)C[C@@H](C)NC(=O)[O-])CC2)cc1	ZINC000829424921	594611625	/nfs/dbraw/zinc/61/16/25/594611625.db2.gz	VKDGHCSPVKPMHP-GFCCVEGCSA-N	-1	0	335.404	1.826	20	10		EDCDRM
COc1cccc(CNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])c1O	ZINC000829559476	594639998	/nfs/dbraw/zinc/63/99/98/594639998.db2.gz	KQUSSZDICSIOSP-GFCCVEGCSA-N	-1	0	338.360	1.176	20	10		EDCDRM
O=C([O-])N1CCO[C@H](C(=O)NCCCSc2nccs2)C1	ZINC000831680015	594692134	/nfs/dbraw/zinc/69/21/34/594692134.db2.gz	ADAAHDJKWJUCAD-VIFPVBQESA-N	-1	0	331.419	1.120	20	10		EDCDRM
O=C([O-])N1CC[C@@H](NC(=O)NCCCSc2nccs2)C1	ZINC000831680646	594692141	/nfs/dbraw/zinc/69/21/41/594692141.db2.gz	LJJZWMDCWAEDBI-SECBINFHSA-N	-1	0	330.435	1.677	20	10		EDCDRM
NC(=O)NC1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000833086120	594796753	/nfs/dbraw/zinc/79/67/53/594796753.db2.gz	YCFPDQIRISUBNK-DUXPYHPUSA-N	-1	0	334.332	1.330	20	10		EDCDRM
C[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000842570705	595129624	/nfs/dbraw/zinc/12/96/24/595129624.db2.gz	FTFJJCLLSIRERF-GRYCIOLGSA-N	-1	0	338.379	1.776	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CCO[C@@H](C(=O)C3CC3)C2)c([N+](=O)[O-])c1	ZINC000844212793	595303238	/nfs/dbraw/zinc/30/32/38/595303238.db2.gz	BEADYTSNLUIJGC-OYLQIYHASA-N	-1	0	346.339	1.877	20	10		EDCDRM
COC[C@]1(CO)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000844213526	595303607	/nfs/dbraw/zinc/30/36/07/595303607.db2.gz	IKLUNEDFRUZFBL-OICCZTGUSA-N	-1	0	336.344	1.528	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])C2)cc1	ZINC000849183427	595492231	/nfs/dbraw/zinc/49/22/31/595492231.db2.gz	RAVYZWCNXAGAQE-AVGNSLFASA-N	-1	0	336.388	1.268	20	10		EDCDRM
CC(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852957609	595629098	/nfs/dbraw/zinc/62/90/98/595629098.db2.gz	YQQWROPRRMHTPV-MRXNPFEDSA-N	-1	0	334.416	1.621	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC2(C3CC3)CC2)cc1	ZINC000853006684	595640191	/nfs/dbraw/zinc/64/01/91/595640191.db2.gz	IEEJXHGKOOGOEU-UHFFFAOYSA-N	-1	0	332.400	1.893	20	10		EDCDRM
CCOC[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000863480752	596593383	/nfs/dbraw/zinc/59/33/83/596593383.db2.gz	REQYEDLYRAEIFZ-AGLBCWCQSA-N	-1	0	336.344	1.934	20	10		EDCDRM
CS(=O)(=O)N[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000093531138	237025841	/nfs/dbraw/zinc/02/58/41/237025841.db2.gz	MSIHPWYLUYXVQO-JTQLQIEISA-N	-1	0	339.244	1.823	20	10		EDCDRM
CCC[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000185020826	443119167	/nfs/dbraw/zinc/11/91/67/443119167.db2.gz	JDGYNDHRUUZNCA-YXMGTMDOSA-N	-1	0	332.400	1.906	20	10		EDCDRM
CCOC(=O)c1[nH]c(=O)n(-c2cc(Cl)c(N)c(Cl)c2)c1[O-]	ZINC000278271503	444125112	/nfs/dbraw/zinc/12/51/12/444125112.db2.gz	YMWJBQXWDDBHIF-VIFPVBQESA-N	-1	0	332.143	1.564	20	10		EDCDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000736368003	578983023	/nfs/dbraw/zinc/98/30/23/578983023.db2.gz	BNYWRUCGJFINHD-HNNXBMFYSA-N	-1	0	335.404	1.432	20	10		EDCDRM
O=C1NC(=O)N2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]12	ZINC000761217514	580052056	/nfs/dbraw/zinc/05/20/56/580052056.db2.gz	UUJBJEGACXOUCW-SNVBAGLBSA-N	-1	0	330.171	1.435	20	10		EDCDRM
CCN(CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)[O-]	ZINC000739395018	579200401	/nfs/dbraw/zinc/20/04/01/579200401.db2.gz	QYBCVZVWOQGOMU-UHFFFAOYSA-N	-1	0	349.431	1.511	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)NCCN(C(=O)[O-])C2CC2)cc1F	ZINC000739619781	579227220	/nfs/dbraw/zinc/22/72/20/579227220.db2.gz	ZIIMEWYETDXAAG-UHFFFAOYSA-N	-1	0	338.383	1.833	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000739928731	579269181	/nfs/dbraw/zinc/26/91/81/579269181.db2.gz	BEEWXMOZCVCFQS-NSHDSACASA-N	-1	0	337.376	1.590	20	10		EDCDRM
CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765033496	580133565	/nfs/dbraw/zinc/13/35/65/580133565.db2.gz	IVXXQJFLMAAINQ-UHFFFAOYSA-N	-1	0	332.341	1.383	20	10		EDCDRM
NS(=O)(=O)C[C@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000769427612	580236730	/nfs/dbraw/zinc/23/67/30/580236730.db2.gz	KYGSRXQFZCSAHV-SNVBAGLBSA-N	-1	0	349.796	1.207	20	10		EDCDRM
CCn1cnc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)OC)c1	ZINC000775287229	580387351	/nfs/dbraw/zinc/38/73/51/580387351.db2.gz	WEONOCJAVBJHHU-UHFFFAOYSA-N	-1	0	325.346	1.196	20	10		EDCDRM
CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-]	ZINC000780444961	580522650	/nfs/dbraw/zinc/52/26/50/580522650.db2.gz	GVJVQPBKWUHJMB-CYBMUJFWSA-N	-1	0	339.367	1.325	20	10		EDCDRM
CCN(CC)C(=O)CN1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000893913617	591135517	/nfs/dbraw/zinc/13/55/17/591135517.db2.gz	VXTKAHKLZZMZQY-UHFFFAOYSA-N	-1	0	341.402	1.656	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1	ZINC000901605316	592410631	/nfs/dbraw/zinc/41/06/31/592410631.db2.gz	QYUXRLGBNMPVQW-ZBFHGGJFSA-N	-1	0	334.416	1.981	20	10		EDCDRM
CCCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H](COC)C(=O)[O-]	ZINC000908757457	592600081	/nfs/dbraw/zinc/60/00/81/592600081.db2.gz	AFCZSAJFQULFRT-HNNXBMFYSA-N	-1	0	337.420	1.774	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])cc1	ZINC000908758385	592600674	/nfs/dbraw/zinc/60/06/74/592600674.db2.gz	JSIFLLCSTGLKPV-ZBFHGGJFSA-N	-1	0	349.431	1.822	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H](O)CCc1ccccc1	ZINC000911483791	592928181	/nfs/dbraw/zinc/92/81/81/592928181.db2.gz	FBTJCHOGMKXQAS-QGZVFWFLSA-N	-1	0	343.379	1.799	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1CCc2cccnc21	ZINC000911494662	592930791	/nfs/dbraw/zinc/93/07/91/592930791.db2.gz	VUAAJIBWNCVITP-AWEZNQCLSA-N	-1	0	326.352	1.930	20	10		EDCDRM
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000839919076	593213442	/nfs/dbraw/zinc/21/34/42/593213442.db2.gz	FFUISOQFKKURJF-NSHDSACASA-N	-1	0	349.460	1.724	20	10		EDCDRM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCO[C@H](C)C2)c1	ZINC000813175272	593521408	/nfs/dbraw/zinc/52/14/08/593521408.db2.gz	MIAFIMSJFZANKC-CQSZACIVSA-N	-1	0	348.443	1.648	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1	ZINC000817108953	593570860	/nfs/dbraw/zinc/57/08/60/593570860.db2.gz	PSBZLMPMANJMNU-CYBMUJFWSA-N	-1	0	349.431	1.328	20	10		EDCDRM
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000817896644	593646700	/nfs/dbraw/zinc/64/67/00/593646700.db2.gz	NDXNSLLHGFRORB-CYBMUJFWSA-N	-1	0	348.399	1.454	20	10		EDCDRM
C[C@@H](NC(=O)C(C)(C)CNC(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000825063924	594124075	/nfs/dbraw/zinc/12/40/75/594124075.db2.gz	CATANSLRECRUND-CYBMUJFWSA-N	-1	0	349.431	1.994	20	10		EDCDRM
O=C(CCc1ccc(-c2nn[nH]n2)cc1)NCc1ccc(O)c(O)c1	ZINC000822978354	594130855	/nfs/dbraw/zinc/13/08/55/594130855.db2.gz	HPHAMHXEZYJXCY-UHFFFAOYSA-N	-1	0	339.355	1.527	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)c3cc(=O)n(C)[n-]3)CC2)cc1	ZINC000825425538	594183289	/nfs/dbraw/zinc/18/32/89/594183289.db2.gz	BOUCCPQNPYKZRP-UHFFFAOYSA-N	-1	0	330.388	1.533	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)CC[C@H]2CCOC2)NC(=O)[O-])cc1	ZINC000828064706	594333550	/nfs/dbraw/zinc/33/35/50/594333550.db2.gz	WPOKTADQKVXJKS-XJKSGUPXSA-N	-1	0	349.431	1.994	20	10		EDCDRM
COc1cccc(CNC(=O)NCC2(C(=O)[O-])CCOCC2)c1O	ZINC000831062282	594546974	/nfs/dbraw/zinc/54/69/74/594546974.db2.gz	GPJJRLTUUHCJEF-UHFFFAOYSA-N	-1	0	338.360	1.081	20	10		EDCDRM
O=C([O-])N[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000832269573	594739207	/nfs/dbraw/zinc/73/92/07/594739207.db2.gz	JNBHFKIFUZDLOF-GJZGRUSLSA-N	-1	0	347.415	1.576	20	10		EDCDRM
COc1ccc(O)c(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000833733747	594918388	/nfs/dbraw/zinc/91/83/88/594918388.db2.gz	ONGLOWBDZHKHQI-UHFFFAOYSA-N	-1	0	337.353	1.578	20	10		EDCDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CC1	ZINC000842586957	595133482	/nfs/dbraw/zinc/13/34/82/595133482.db2.gz	SFAVCUJHKNIWDN-CYBMUJFWSA-N	-1	0	347.364	1.485	20	10		EDCDRM
O=C(C=Cc1ccc(O)c(O)c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000843874529	595205869	/nfs/dbraw/zinc/20/58/69/595205869.db2.gz	ANMDGKRECRLMCO-DUXPYHPUSA-N	-1	0	330.344	1.341	20	10		EDCDRM
CCOC[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000863480753	596593219	/nfs/dbraw/zinc/59/32/19/596593219.db2.gz	REQYEDLYRAEIFZ-BPJJOFIESA-N	-1	0	336.344	1.934	20	10		EDCDRM
O=S1(=O)CCN(Cc2ccc(F)c(F)c2[O-])[C@H]2CCOC[C@@H]21	ZINC000877585048	597538767	/nfs/dbraw/zinc/53/87/67/597538767.db2.gz	OLZXZHDXBKLRND-RYUDHWBXSA-N	-1	0	333.356	1.058	20	10		EDCDRM
O=C1N[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N2CCSC[C@@H]12	ZINC000270789752	304680584	/nfs/dbraw/zinc/68/05/84/304680584.db2.gz	LHJXMCVLNJSRST-GXSJLCMTSA-N	-1	0	329.765	1.500	20	10		EDCDRM
COCCN1CCCN(Cc2cc(Cl)cc(OC)c2O)CC1=O	ZINC000191699756	442492093	/nfs/dbraw/zinc/49/20/93/442492093.db2.gz	YDMAKLCVAVDIQD-UHFFFAOYSA-N	-1	0	342.823	1.735	20	10		EDCDRM
COCCOCCS(=O)(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000288284349	443831820	/nfs/dbraw/zinc/83/18/20/443831820.db2.gz	RHUAQYCMKTUDHH-UHFFFAOYSA-N	-1	0	327.761	1.589	20	10		EDCDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC000276964961	443880991	/nfs/dbraw/zinc/88/09/91/443880991.db2.gz	UWVVUGYOOSOGLI-GFCCVEGCSA-N	-1	0	337.401	1.913	20	10		EDCDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)[C@H]1Cc2cccc(F)c2O1	ZINC000363441681	445805207	/nfs/dbraw/zinc/80/52/07/445805207.db2.gz	JICIOEJCPSHYHW-WDEREUQCSA-N	-1	0	341.360	1.657	20	10		EDCDRM
O=C([O-])NC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1	ZINC000740610941	579368294	/nfs/dbraw/zinc/36/82/94/579368294.db2.gz	MNNRIZOXJLGXGL-INIZCTEOSA-N	-1	0	344.415	1.908	20	10		EDCDRM
CCNC(=O)NC(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739459843	579208676	/nfs/dbraw/zinc/20/86/76/579208676.db2.gz	JTZYZXLXJGQAQQ-UHFFFAOYSA-N	-1	0	334.376	1.053	20	10		EDCDRM
O=C1COc2ccc([N-]S(=O)(=O)c3cccc4nonc43)cc2N1	ZINC000765032665	580133571	/nfs/dbraw/zinc/13/35/71/580133571.db2.gz	FXKFAIPTCAYEMZ-UHFFFAOYSA-N	-1	0	346.324	1.355	20	10		EDCDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cn1C	ZINC000776748662	580427712	/nfs/dbraw/zinc/42/77/12/580427712.db2.gz	AZWMNPNHKYVADN-UHFFFAOYSA-N	-1	0	344.776	1.972	20	10		EDCDRM
COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1O	ZINC000797820416	580981727	/nfs/dbraw/zinc/98/17/27/580981727.db2.gz	WQXFXONCOPYGCK-UHFFFAOYSA-N	-1	0	326.330	1.238	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)C(C)(C)OC)cc1	ZINC000905130190	592428805	/nfs/dbraw/zinc/42/88/05/592428805.db2.gz	BVTYKCIVRXXZRZ-LBPRGKRZSA-N	-1	0	338.404	1.516	20	10		EDCDRM
O=C([O-])[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	ZINC000908851303	592641802	/nfs/dbraw/zinc/64/18/02/592641802.db2.gz	JJSCBIWNSBBVEH-OAHLLOKOSA-N	-1	0	349.456	1.902	20	10		EDCDRM
CC(C)CN1C[C@@H](C(=O)N(CC(=O)[O-])Cc2ccccc2O)CC1=O	ZINC000911483989	592928152	/nfs/dbraw/zinc/92/81/52/592928152.db2.gz	JBSOGHHPDNQROC-AWEZNQCLSA-N	-1	0	348.399	1.310	20	10		EDCDRM
CO[C@H](C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)C1CC1	ZINC000911359631	593005343	/nfs/dbraw/zinc/00/53/43/593005343.db2.gz	DPCDZMJCQOKSRD-AWEZNQCLSA-N	-1	0	327.764	1.884	20	10		EDCDRM
C[C@H]1CO[C@H](C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1	ZINC000911360829	593006341	/nfs/dbraw/zinc/00/63/41/593006341.db2.gz	YSIMWBZOCHVNTQ-RNCFNFMXSA-N	-1	0	327.764	1.884	20	10		EDCDRM
O=S1(=O)CCN(Cc2c(O)cccc2Cl)[C@@H]2CCOC[C@H]21	ZINC000839186711	593272727	/nfs/dbraw/zinc/27/27/27/593272727.db2.gz	OBCKLMOUKBNOHG-TZMCWYRMSA-N	-1	0	331.821	1.434	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000817108830	593570788	/nfs/dbraw/zinc/57/07/88/593570788.db2.gz	NLSOKSRGTDQOFN-AWEZNQCLSA-N	-1	0	347.415	1.082	20	10		EDCDRM
O=C([O-])CCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1	ZINC000817114763	593572012	/nfs/dbraw/zinc/57/20/12/593572012.db2.gz	JQGRSZQNNOYGEI-UHFFFAOYSA-N	-1	0	348.399	1.644	20	10		EDCDRM
CC(=O)NCC[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](C)C(=O)[O-]	ZINC000819770190	593768119	/nfs/dbraw/zinc/76/81/19/593768119.db2.gz	JUINVMHBIHURBZ-MRVPVSSYSA-N	-1	0	332.759	1.596	20	10		EDCDRM
C[C@@H](C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1)n1cccn1	ZINC000823687016	593834682	/nfs/dbraw/zinc/83/46/82/593834682.db2.gz	VGFKEKUHUSJARY-WFASDCNBSA-N	-1	0	345.403	1.635	20	10		EDCDRM
Cc1n[nH]cc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000829834212	594273124	/nfs/dbraw/zinc/27/31/24/594273124.db2.gz	QNMLQKIPYIRBIK-CQSZACIVSA-N	-1	0	331.376	1.523	20	10		EDCDRM
CC(=O)c1[nH]c(CC(=O)NCc2ccc(O)c(O)c2)c(C(=O)[O-])c1C	ZINC000825928856	594283462	/nfs/dbraw/zinc/28/34/62/594283462.db2.gz	IUJRDGGPGLCASU-UHFFFAOYSA-N	-1	0	346.339	1.494	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000828072782	594335098	/nfs/dbraw/zinc/33/50/98/594335098.db2.gz	CJVFQEYBPJVBQS-NWDGAFQWSA-N	-1	0	333.388	1.914	20	10		EDCDRM
C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1C(=O)[O-]	ZINC000828363450	594401564	/nfs/dbraw/zinc/40/15/64/594401564.db2.gz	WERNCMITTLZIDF-WFASDCNBSA-N	-1	0	331.416	1.931	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC2)cc1	ZINC000829424093	594611148	/nfs/dbraw/zinc/61/11/48/594611148.db2.gz	MAFDPQHZYOVEKL-ZDUSSCGKSA-N	-1	0	335.404	1.590	20	10		EDCDRM
O=C([O-])N1CCO[C@H](CC(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000831387153	594620695	/nfs/dbraw/zinc/62/06/95/594620695.db2.gz	BZDLGLABYXNTHQ-CYBMUJFWSA-N	-1	0	348.399	1.656	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c1	ZINC000829483144	594623455	/nfs/dbraw/zinc/62/34/55/594623455.db2.gz	DQFOWLFDSDUSJI-NOZJJQNGSA-N	-1	0	338.360	1.520	20	10		EDCDRM
O=C([O-])c1cncc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	ZINC000833340741	594830453	/nfs/dbraw/zinc/83/04/53/594830453.db2.gz	AJMWZGDOKBRFJE-UHFFFAOYSA-N	-1	0	346.362	1.887	20	10		EDCDRM
C[C@H](C(=O)[O-])C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	ZINC000841768980	594949048	/nfs/dbraw/zinc/94/90/48/594949048.db2.gz	XBDYWTVBHSQYED-BBRMVZONSA-N	-1	0	334.416	1.981	20	10		EDCDRM
COc1cc(O)c(CN2CCO[C@H]([C@@H](C)NC(=O)[O-])C2)cc1OC	ZINC000833887199	594958704	/nfs/dbraw/zinc/95/87/04/594958704.db2.gz	CHEIZASSWVOTSJ-BMIGLBTASA-N	-1	0	340.376	1.266	20	10		EDCDRM
O=C([O-])N1CC(CNC(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000834047918	595000206	/nfs/dbraw/zinc/00/02/06/595000206.db2.gz	IGMCHGSOBAUXLZ-UHFFFAOYSA-N	-1	0	332.404	1.696	20	10		EDCDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCS1(=O)=O	ZINC000848079777	595316769	/nfs/dbraw/zinc/31/67/69/595316769.db2.gz	OLGYSGPWYQCJPU-SNVBAGLBSA-N	-1	0	338.212	1.892	20	10		EDCDRM
CCC1(CNC(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)COC1	ZINC000853011120	595640969	/nfs/dbraw/zinc/64/09/69/595640969.db2.gz	SVDBUFDMZPCEHW-UHFFFAOYSA-N	-1	0	336.388	1.129	20	10		EDCDRM
CCO[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1C(=O)OC)C1CC1	ZINC000863407198	596572976	/nfs/dbraw/zinc/57/29/76/596572976.db2.gz	PPSYZRJOXAXQGR-AWEZNQCLSA-N	-1	0	343.401	1.736	20	10		EDCDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000863408899	596573650	/nfs/dbraw/zinc/57/36/50/596573650.db2.gz	STXWWFNGUDZDRR-UHFFFAOYSA-N	-1	0	342.333	1.233	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@H]2CCCCO2)cc1	ZINC000872911470	597121103	/nfs/dbraw/zinc/12/11/03/597121103.db2.gz	VQRZYILVWNKHGC-OAHLLOKOSA-N	-1	0	336.388	1.272	20	10		EDCDRM
COC[C@@H](NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1)C1CC1	ZINC000872960706	597140767	/nfs/dbraw/zinc/14/07/67/597140767.db2.gz	KQZHYDAUPRGSSE-OAHLLOKOSA-N	-1	0	336.388	1.127	20	10		EDCDRM
CNS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000092068006	441767776	/nfs/dbraw/zinc/76/77/76/441767776.db2.gz	UXRZLFVUMZZYPJ-SNVBAGLBSA-N	-1	0	339.244	1.823	20	10		EDCDRM
CC(C)OCCS(=O)(=O)N1CCN(Cc2ccccc2O)CC1	ZINC000179585123	442477852	/nfs/dbraw/zinc/47/78/52/442477852.db2.gz	OMNRZHAVBDMLDK-UHFFFAOYSA-N	-1	0	342.461	1.265	20	10		EDCDRM
COc1cc(Cl)cc(CN(C)CC(=O)N2CCOCC2)c1O	ZINC000184674801	443057465	/nfs/dbraw/zinc/05/74/65/443057465.db2.gz	WAXVDGFYNWDRIQ-UHFFFAOYSA-N	-1	0	328.796	1.345	20	10		EDCDRM
COC(=O)[C@H]1COCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000271154381	443492933	/nfs/dbraw/zinc/49/29/33/443492933.db2.gz	CEVUABSLHSLOTJ-LLVKDONJSA-N	-1	0	330.724	1.328	20	10		EDCDRM
COC(=O)[C@@H]1COCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000271154384	443492450	/nfs/dbraw/zinc/49/24/50/443492450.db2.gz	CEVUABSLHSLOTJ-NSHDSACASA-N	-1	0	330.724	1.328	20	10		EDCDRM
COc1cc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)ccc1O	ZINC000284042270	443762018	/nfs/dbraw/zinc/76/20/18/443762018.db2.gz	XFXGZGDVFRZFTF-UHFFFAOYSA-N	-1	0	333.316	1.663	20	10		EDCDRM
COc1cc([N+](=O)[O-])c(N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1OC	ZINC000285724822	444086993	/nfs/dbraw/zinc/08/69/93/444086993.db2.gz	SIWLIMWFEWHERY-VIFPVBQESA-N	-1	0	349.347	1.407	20	10		EDCDRM
O=C([O-])N1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	ZINC000740488200	579352449	/nfs/dbraw/zinc/35/24/49/579352449.db2.gz	AIHNBFAKSIGYEY-GJZGRUSLSA-N	-1	0	348.399	1.900	20	10		EDCDRM
Cn1ncc2c1ncnc2N1CCN(C(=O)C2=CC(=O)CS2)CC1	ZINC000732263275	578700626	/nfs/dbraw/zinc/70/06/26/578700626.db2.gz	BLINRBRUBHCOTI-UHFFFAOYSA-N	-1	0	344.400	1.093	20	10		EDCDRM
CN1CCN(C(=O)C2CCN(C(=O)C3=CC(=O)CS3)CC2)CC1	ZINC000732269617	578700961	/nfs/dbraw/zinc/70/09/61/578700961.db2.gz	GMPRTTHMNRUWPQ-UHFFFAOYSA-N	-1	0	337.445	1.080	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)N[C@@H]3CCN(C(=O)[O-])C3)ccc21	ZINC000739729974	579242586	/nfs/dbraw/zinc/24/25/86/579242586.db2.gz	GRGDXHGPAVDLHH-CQSZACIVSA-N	-1	0	332.404	1.621	20	10		EDCDRM
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](CNC(=O)[O-])C2CC2)c1	ZINC000739925269	579268768	/nfs/dbraw/zinc/26/87/68/579268768.db2.gz	KGPBYGIPYBGMIY-ZANVPECISA-N	-1	0	337.376	1.807	20	10		EDCDRM
O=C(CSc1n[n-]c(=S)s1)NCc1ccc(O)c(O)c1	ZINC000778918854	580475569	/nfs/dbraw/zinc/47/55/69/580475569.db2.gz	YFQLJABECPJQDI-UHFFFAOYSA-N	-1	0	329.428	1.647	20	10		EDCDRM
O=C([O-])CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])s2)SC1=S	ZINC000782179094	580568673	/nfs/dbraw/zinc/56/86/73/580568673.db2.gz	KYHWNJMMCDQFKF-UTCJRWHESA-N	-1	0	330.368	1.942	20	10		EDCDRM
C[C@H](NCc1nnn(C)n1)c1cc(Br)c(F)cc1[O-]	ZINC000787045594	580686526	/nfs/dbraw/zinc/68/65/26/580686526.db2.gz	XVZOMDHPIZEWRA-LURJTMIESA-N	-1	0	330.161	1.668	20	10		EDCDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000790409631	580769023	/nfs/dbraw/zinc/76/90/23/580769023.db2.gz	SCOCSBBCRFKNTC-UHFFFAOYSA-N	-1	0	339.373	1.029	20	10		EDCDRM
CO[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@](C)(C(=O)[O-])C1	ZINC000908758480	592600691	/nfs/dbraw/zinc/60/06/91/592600691.db2.gz	LWVGBSOOAHMKEC-PBHICJAKSA-N	-1	0	335.404	1.526	20	10		EDCDRM
CC[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000911226047	592968900	/nfs/dbraw/zinc/96/89/00/592968900.db2.gz	CHBYCUHTVMTURZ-ZDUSSCGKSA-N	-1	0	338.379	1.514	20	10		EDCDRM
Cn1nncc1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807612656	593184933	/nfs/dbraw/zinc/18/49/33/593184933.db2.gz	RNEVOEZDJFZOFL-UHFFFAOYSA-N	-1	0	330.175	1.827	20	10		EDCDRM
C[C@H](CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)NC(=O)[O-]	ZINC000824605947	594046822	/nfs/dbraw/zinc/04/68/22/594046822.db2.gz	MNYAHNPKNIOGRZ-CHWSQXEVSA-N	-1	0	335.404	1.747	20	10		EDCDRM
C[C@@H]1CC[C@@H](C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)O1	ZINC000825868018	594265579	/nfs/dbraw/zinc/26/55/79/594265579.db2.gz	YTMVLFOFCBLHCL-UGFHNGPFSA-N	-1	0	335.404	1.745	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)Cc2cnn(C)c2)NC(=O)[O-])cc1	ZINC000828063402	594333248	/nfs/dbraw/zinc/33/32/48/594333248.db2.gz	FSNYSPDQGQOPDL-HNNXBMFYSA-N	-1	0	345.403	1.154	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cccc[n+]2[O-])NC(=O)[O-])cc1	ZINC000828063709	594333311	/nfs/dbraw/zinc/33/33/11/594333311.db2.gz	HOYVAFHBCCDIIB-CQSZACIVSA-N	-1	0	344.371	1.125	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)NCC(C)(C)NC(=O)[O-])cc1F	ZINC000828068972	594334705	/nfs/dbraw/zinc/33/47/05/594334705.db2.gz	XEWRMMZXGHADIN-UHFFFAOYSA-N	-1	0	326.372	1.737	20	10		EDCDRM
COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)N1CCC(C)CC1	ZINC000830156325	594346645	/nfs/dbraw/zinc/34/66/45/594346645.db2.gz	RYFHNBYICLOUBG-UHFFFAOYSA-N	-1	0	346.380	1.707	20	10		EDCDRM
COC(=O)/C=C/c1ccc(N2CC[C@](F)(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000831119451	594561451	/nfs/dbraw/zinc/56/14/51/594561451.db2.gz	ODKWQUMRKHLEQD-SJDLMVEWSA-N	-1	0	338.291	1.784	20	10		EDCDRM
COC(=O)/C=C\c1ccc(N2CC[C@](F)(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000831119453	594561556	/nfs/dbraw/zinc/56/15/56/594561556.db2.gz	ODKWQUMRKHLEQD-UYWPIULCSA-N	-1	0	338.291	1.784	20	10		EDCDRM
COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000829482983	594623450	/nfs/dbraw/zinc/62/34/50/594623450.db2.gz	BWGAJPQMFQTJPW-JQWIXIFHSA-N	-1	0	338.360	1.347	20	10		EDCDRM
COc1cccc(CNC(=O)N[C@@H](CNC(=O)[O-])CC(C)C)c1O	ZINC000829559051	594639927	/nfs/dbraw/zinc/63/99/27/594639927.db2.gz	FZKDMGDLCUHSIN-GFCCVEGCSA-N	-1	0	339.392	1.882	20	10		EDCDRM
O=C([O-])N1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1	ZINC000831709616	594694784	/nfs/dbraw/zinc/69/47/84/594694784.db2.gz	XCRZZUPQCBFTLJ-GFCCVEGCSA-N	-1	0	333.388	1.823	20	10		EDCDRM
O=C([O-])c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccn1	ZINC000833145366	594801231	/nfs/dbraw/zinc/80/12/31/594801231.db2.gz	KXMKLZNMDHNBDN-UHFFFAOYSA-N	-1	0	341.367	1.546	20	10		EDCDRM
COc1nccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)n1	ZINC000840729664	594812784	/nfs/dbraw/zinc/81/27/84/594812784.db2.gz	CXNVASIXHTYDAY-VQHVLOKHSA-N	-1	0	339.398	1.551	20	10		EDCDRM
O=C([O-])CCCCCNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000840984591	594835672	/nfs/dbraw/zinc/83/56/72/594835672.db2.gz	JPXZKICIGBYFAL-UHFFFAOYSA-N	-1	0	349.431	1.967	20	10		EDCDRM
O=C([O-])CCCNC(=O)NCc1cc(Br)ccc1O	ZINC000840992577	594836682	/nfs/dbraw/zinc/83/66/82/594836682.db2.gz	LXPKVWCEGRMCNU-UHFFFAOYSA-N	-1	0	331.166	1.819	20	10		EDCDRM
CC[C@H](C)[C@@H](NC(=O)CN(C)c1ccc(OC)cc1OC)C(=O)[O-]	ZINC000833637473	594894521	/nfs/dbraw/zinc/89/45/21/594894521.db2.gz	DXDSJOYQBNZZHT-MEDUHNTESA-N	-1	0	338.404	1.756	20	10		EDCDRM
CC(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000843328731	595075309	/nfs/dbraw/zinc/07/53/09/595075309.db2.gz	SXETXCHFTVUSLF-QGZVFWFLSA-N	-1	0	348.443	1.868	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1	ZINC000844211526	595303369	/nfs/dbraw/zinc/30/33/69/595303369.db2.gz	COSKBWSKDCRRPX-FXMSTWTQSA-N	-1	0	329.316	1.736	20	10		EDCDRM
CCN(Cc1cc(Br)ccc1O)C(=O)COCC(=O)[O-]	ZINC000844245394	595311389	/nfs/dbraw/zinc/31/13/89/595311389.db2.gz	HEIRYHHJFNTOEM-UHFFFAOYSA-N	-1	0	346.177	1.604	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C(=O)[O-])C3CC3)C2)cc1	ZINC000852944556	595622217	/nfs/dbraw/zinc/62/22/17/595622217.db2.gz	IOWDEOKIGLKWJH-BLLLJJGKSA-N	-1	0	332.400	1.749	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)[C@@H](C(=O)[O-])C3CC3)CC2)cc1	ZINC000852952160	595626391	/nfs/dbraw/zinc/62/63/91/595626391.db2.gz	VUWKZCYZICXODT-INIZCTEOSA-N	-1	0	332.400	1.845	20	10		EDCDRM
COCc1nnc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[n-]1	ZINC000850361273	595819283	/nfs/dbraw/zinc/81/92/83/595819283.db2.gz	XEAZXQODPMYGAY-UHFFFAOYSA-N	-1	0	327.728	1.508	20	10		EDCDRM
COC[C@@]1(C)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000863482882	596594581	/nfs/dbraw/zinc/59/45/81/596594581.db2.gz	MNTXFFURSZEINC-MQDFFIGUSA-N	-1	0	336.344	1.934	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)c3cc(=O)n(C)[n-]3)CC2)c(OC)c1	ZINC000870166050	596784014	/nfs/dbraw/zinc/78/40/14/596784014.db2.gz	SWJBFDVTYVPTPK-UHFFFAOYSA-N	-1	0	346.387	1.105	20	10		EDCDRM
CN(Cc1cc(C(=O)[O-])nn1C)c1ccc(OCC[NH+](C)C)cc1	ZINC000874041287	596904718	/nfs/dbraw/zinc/90/47/18/596904718.db2.gz	RDCPITBIDWJLNC-UHFFFAOYSA-N	-1	0	332.404	1.695	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CCS[C@H]2C)cc1	ZINC000872977589	597148456	/nfs/dbraw/zinc/14/84/56/597148456.db2.gz	CPAVFQYJNLAKTG-SMDDNHRTSA-N	-1	0	338.429	1.596	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000322027197	600991554	/nfs/dbraw/zinc/99/15/54/600991554.db2.gz	LKEKLPRZSRRGMU-UHFFFAOYSA-N	-1	0	343.449	1.226	20	10		EDCDRM
O=C1N[C@@H](c2cc(Br)ccc2O)N2CCSC[C@@H]12	ZINC000270829286	443481722	/nfs/dbraw/zinc/48/17/22/443481722.db2.gz	UATGSNYIFAGMOC-GXSJLCMTSA-N	-1	0	329.219	1.701	20	10		EDCDRM
CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000274977685	443617318	/nfs/dbraw/zinc/61/73/18/443617318.db2.gz	XHCQPQFYTPWNEI-UHFFFAOYSA-N	-1	0	339.373	1.744	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1O	ZINC000364209984	445901186	/nfs/dbraw/zinc/90/11/86/445901186.db2.gz	LYAIYURIBRGGFK-IAGOWNOFSA-N	-1	0	336.407	1.765	20	10		EDCDRM
CN1CCc2cc(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)ccc21	ZINC000368978098	447242319	/nfs/dbraw/zinc/24/23/19/447242319.db2.gz	OKCJPUXFDFTRDK-UHFFFAOYSA-N	-1	0	343.349	1.752	20	10		EDCDRM
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000740446392	579347983	/nfs/dbraw/zinc/34/79/83/579347983.db2.gz	FELWKPGVUKESIS-LSDHHAIUSA-N	-1	0	333.388	1.016	20	10		EDCDRM
O=C(c1ccccc1)c1ccc(O)c(CN2CCNC(=O)C2)c1[O-]	ZINC000728197672	578544739	/nfs/dbraw/zinc/54/47/39/578544739.db2.gz	HMFLKMITPIXDDJ-UHFFFAOYSA-N	-1	0	326.352	1.261	20	10		EDCDRM
CC(C)(NC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000736331625	578978769	/nfs/dbraw/zinc/97/87/69/578978769.db2.gz	LOJILUQNZAHZMR-UHFFFAOYSA-N	-1	0	339.367	1.325	20	10		EDCDRM
Cc1n[nH]c(C(=O)NCc2cccc(Br)c2O)c1[O-]	ZINC000765750229	580150669	/nfs/dbraw/zinc/15/06/69/580150669.db2.gz	CLCIVCDSVVSNPH-UHFFFAOYSA-N	-1	0	326.150	1.822	20	10		EDCDRM
CC(C)NC(=O)CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775644690	580396112	/nfs/dbraw/zinc/39/61/12/580396112.db2.gz	RFXFINFYILNTPI-UHFFFAOYSA-N	-1	0	343.830	1.827	20	10		EDCDRM
O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cccc2c1COC2=O	ZINC000776435210	580417227	/nfs/dbraw/zinc/41/72/27/580417227.db2.gz	YTPNVCPKAKCNFE-UHFFFAOYSA-N	-1	0	349.320	1.562	20	10		EDCDRM
Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)c(C)n1-c1ccc(F)cc1	ZINC000790076637	580761767	/nfs/dbraw/zinc/76/17/67/580761767.db2.gz	JEDJPHMBJBIECO-UHFFFAOYSA-N	-1	0	344.346	1.882	20	10		EDCDRM
CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000893927155	591140445	/nfs/dbraw/zinc/14/04/45/591140445.db2.gz	BXXQXAZSHDOPLH-GFCCVEGCSA-N	-1	0	341.402	1.703	20	10		EDCDRM
C[C@@H](O)[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCO1	ZINC000895015679	591524025	/nfs/dbraw/zinc/52/40/25/591524025.db2.gz	HSSHKJRXWZSLNS-PRHODGIISA-N	-1	0	334.185	1.875	20	10		EDCDRM
O=C1NCCC2(CN(Cc3cccc(Br)c3[O-])C2)O1	ZINC000897752473	591643565	/nfs/dbraw/zinc/64/35/65/591643565.db2.gz	CEKVBASQWQIPGH-UHFFFAOYSA-N	-1	0	327.178	1.839	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)cc1	ZINC000901917458	591860048	/nfs/dbraw/zinc/86/00/48/591860048.db2.gz	ILYMWOKOQGQPQK-HZPDHXFCSA-N	-1	0	332.400	1.845	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C(=O)[O-])nn1C	ZINC000901918050	591860591	/nfs/dbraw/zinc/86/05/91/591860591.db2.gz	PNFNUZOLLWHKNU-UHFFFAOYSA-N	-1	0	330.344	1.224	20	10		EDCDRM
C[C@@H]1CCc2nc(C(=O)N(CC(=O)[O-])Cc3ccccc3O)cn2C1	ZINC000911488229	592929150	/nfs/dbraw/zinc/92/91/50/592929150.db2.gz	IEKZGFZBIFPERK-GFCCVEGCSA-N	-1	0	343.383	1.898	20	10		EDCDRM
CCO[C@H](C(=O)N(CC(=O)[O-])Cc1ccccc1O)[C@H]1CCOC1	ZINC000911492587	592930187	/nfs/dbraw/zinc/93/01/87/592930187.db2.gz	IGCKHNJULICKIE-BBRMVZONSA-N	-1	0	337.372	1.247	20	10		EDCDRM
CC(C)[C@@H](O)CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360241	593005754	/nfs/dbraw/zinc/00/57/54/593005754.db2.gz	PWBKCBKDCGZNCK-ZDUSSCGKSA-N	-1	0	329.780	1.866	20	10		EDCDRM
CN(C)C(=O)COC1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000839139288	593268385	/nfs/dbraw/zinc/26/83/85/593268385.db2.gz	XXVCBHSOCRYRHL-UHFFFAOYSA-N	-1	0	343.767	1.243	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2c(C)onc2N)c1	ZINC000809819858	593361945	/nfs/dbraw/zinc/36/19/45/593361945.db2.gz	ZQISQRUZAUAHMF-SSDOTTSWSA-N	-1	0	327.362	1.319	20	10		EDCDRM
C[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000757640140	593384361	/nfs/dbraw/zinc/38/43/61/593384361.db2.gz	VYFWPSHQNAYPES-JTQLQIEISA-N	-1	0	333.348	1.758	20	10		EDCDRM
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCCC(=O)[O-]	ZINC000817112176	593571476	/nfs/dbraw/zinc/57/14/76/593571476.db2.gz	APBVOJMHLYGEQT-UHFFFAOYSA-N	-1	0	336.388	1.502	20	10		EDCDRM
C[C@@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000817113309	593571629	/nfs/dbraw/zinc/57/16/29/593571629.db2.gz	AXRGNZGYTDOPEJ-KZULUSFZSA-N	-1	0	347.415	1.253	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)C2)cc1	ZINC000819000934	593733298	/nfs/dbraw/zinc/73/32/98/593733298.db2.gz	CHPZAUCNQFJYIV-UHOFOFEASA-N	-1	0	348.399	1.270	20	10		EDCDRM
COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)N1CC[C@@H](C)C1	ZINC000830156743	594346783	/nfs/dbraw/zinc/34/67/83/594346783.db2.gz	XTSROATTXWRBKF-MRVPVSSYSA-N	-1	0	332.353	1.316	20	10		EDCDRM
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000831708551	594694763	/nfs/dbraw/zinc/69/47/63/594694763.db2.gz	JLYSBNPIKXKSDR-SMDDNHRTSA-N	-1	0	334.372	1.000	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CCN3C(=O)OC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000833195680	594803674	/nfs/dbraw/zinc/80/36/74/594803674.db2.gz	INDZJNRTTFFNCJ-JRBALWBOSA-N	-1	0	333.300	1.333	20	10		EDCDRM
C[C@H](NC(=O)N[C@H](CF)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000837296388	595079482	/nfs/dbraw/zinc/07/94/82/595079482.db2.gz	OOCYPYZFCFBEAO-SMDDNHRTSA-N	-1	0	339.367	1.306	20	10		EDCDRM
COc1ccc(N2CCN(CCNC(=O)C(C)(C)C(=O)[O-])CC2)cc1	ZINC000844244723	595311196	/nfs/dbraw/zinc/31/11/96/595311196.db2.gz	WOPDTJKUTQCRQF-UHFFFAOYSA-N	-1	0	349.431	1.044	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)NC[C@@H](C)C(=O)[O-])CC2)cc1	ZINC000848579279	595407959	/nfs/dbraw/zinc/40/79/59/595407959.db2.gz	XVJGHWNBYMKPGH-GFCCVEGCSA-N	-1	0	335.404	1.684	20	10		EDCDRM
CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000848611938	595417936	/nfs/dbraw/zinc/41/79/36/595417936.db2.gz	UIJYYGQADZABFM-IUODEOHRSA-N	-1	0	349.431	1.403	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cnc(C)o2)cc1	ZINC000853010650	595640878	/nfs/dbraw/zinc/64/08/78/595640878.db2.gz	IOEHFKJMMHFNII-UHFFFAOYSA-N	-1	0	333.344	1.199	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)C2)cc1	ZINC000851651011	595868664	/nfs/dbraw/zinc/86/86/64/595868664.db2.gz	ICTCPIPBFKJRKE-MJBXVCDLSA-N	-1	0	347.415	1.826	20	10		EDCDRM
O=S(=O)(C[C@@H]1CCCOC1)[N-]N=c1[nH]c2cccnc2s1	ZINC000857224973	596190947	/nfs/dbraw/zinc/19/09/47/596190947.db2.gz	BWVFHCQRXJKKBY-SECBINFHSA-N	-1	0	328.419	1.364	20	10		EDCDRM
O=S(=O)(CCOCC1CC1)[N-]N=c1[nH]c2ccncc2s1	ZINC000872384994	596896580	/nfs/dbraw/zinc/89/65/80/596896580.db2.gz	QLRRNVXOHUTPIW-UHFFFAOYSA-N	-1	0	328.419	1.364	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1	ZINC000872983915	597150453	/nfs/dbraw/zinc/15/04/53/597150453.db2.gz	GMEIRSACEOTWRL-FZKQIMNGSA-N	-1	0	348.399	1.081	20	10		EDCDRM
C[C@H](O)C(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000093706680	441893965	/nfs/dbraw/zinc/89/39/65/441893965.db2.gz	FBSXMSPVTKGWSL-VIFPVBQESA-N	-1	0	333.215	1.724	20	10		EDCDRM
O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cccc(O)c1O	ZINC000193149441	442717560	/nfs/dbraw/zinc/71/75/60/442717560.db2.gz	RLOLTVJLLXPBOI-HUUCEWRRSA-N	-1	0	342.395	1.463	20	10		EDCDRM
O=C(c1c(F)ccc(O)c1O)N1CCN(Cc2cccnc2)CC1	ZINC000276448035	443708736	/nfs/dbraw/zinc/70/87/36/443708736.db2.gz	ANCQVSVAFHTAKJ-UHFFFAOYSA-N	-1	0	331.347	1.590	20	10		EDCDRM
NC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2O)CC1	ZINC000289782140	444202811	/nfs/dbraw/zinc/20/28/11/444202811.db2.gz	LFRRPCBURZIIAI-GOSISDBHSA-N	-1	0	325.412	1.736	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])cc1	ZINC000739412559	579202224	/nfs/dbraw/zinc/20/22/24/579202224.db2.gz	BGHLMFLKQBOHKU-HNNXBMFYSA-N	-1	0	335.404	1.528	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])cc1	ZINC000739708847	579239393	/nfs/dbraw/zinc/23/93/93/579239393.db2.gz	BVJIIFHYYZYHIM-INIZCTEOSA-N	-1	0	349.431	1.870	20	10		EDCDRM
CSCC[C@H](NC(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1	ZINC000740012214	579280614	/nfs/dbraw/zinc/28/06/14/579280614.db2.gz	VVUMEOUGDDFXQD-ZDUSSCGKSA-N	-1	0	325.434	1.758	20	10		EDCDRM
Cc1[nH]nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1[O-]	ZINC000749246111	579719180	/nfs/dbraw/zinc/71/91/80/579719180.db2.gz	GACSRSRFDPYXSJ-ZDUSSCGKSA-N	-1	0	331.372	1.951	20	10		EDCDRM
O=C1OC[C@@H]2CN(Cc3cccc(Br)c3[O-])CCN12	ZINC000769483390	580238295	/nfs/dbraw/zinc/23/82/95/580238295.db2.gz	MADXYNKKOSTEFS-JTQLQIEISA-N	-1	0	327.178	1.791	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)CSc2n[n-]c(=S)s2)c1	ZINC000769540021	580239574	/nfs/dbraw/zinc/23/95/74/580239574.db2.gz	ABMYACZXCRUQDC-UHFFFAOYSA-N	-1	0	343.455	1.950	20	10		EDCDRM
O=C(OCc1n[nH]c(=O)[n-]1)c1cccc2c1C(=O)c1ccccc1C2=O	ZINC000774886463	580376512	/nfs/dbraw/zinc/37/65/12/580376512.db2.gz	OKSWRIQIMAKOAB-UHFFFAOYSA-N	-1	0	349.302	1.643	20	10		EDCDRM
Cc1cc(C(=O)NCc2ccc(O)c(O)c2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000778917067	580475564	/nfs/dbraw/zinc/47/55/64/580475564.db2.gz	UPXJYKVOLFMFQY-UHFFFAOYSA-N	-1	0	342.311	1.086	20	10		EDCDRM
CS(=O)(=O)[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1	ZINC000800535128	581054564	/nfs/dbraw/zinc/05/45/64/581054564.db2.gz	UDICCDVBHMWEGX-SNVBAGLBSA-N	-1	0	334.235	1.774	20	10		EDCDRM
C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000893916508	591137195	/nfs/dbraw/zinc/13/71/95/591137195.db2.gz	JIWAIWGEFYVKHE-NSHDSACASA-N	-1	0	339.386	1.455	20	10		EDCDRM
COc1cc(Cl)cc(CN2CC(n3cc(C(C)=O)nn3)C2)c1O	ZINC000897938573	591730123	/nfs/dbraw/zinc/73/01/23/591730123.db2.gz	JRFLBLTYEWIQOC-UHFFFAOYSA-N	-1	0	336.779	1.905	20	10		EDCDRM
COCCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)o1	ZINC000899341881	591786097	/nfs/dbraw/zinc/78/60/97/591786097.db2.gz	LULOFYLORPKKHQ-RMKNXTFCSA-N	-1	0	343.382	1.591	20	10		EDCDRM
O=C([O-])c1cnn2c1[nH]c(CN(CC(F)F)C1CCC1)cc2=O	ZINC000903625388	592245440	/nfs/dbraw/zinc/24/54/40/592245440.db2.gz	LBHZZLAVZAAVNO-UHFFFAOYSA-N	-1	0	326.303	1.753	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000909042565	592711964	/nfs/dbraw/zinc/71/19/64/592711964.db2.gz	HCBMIENHUOYMIL-JKSUJKDBSA-N	-1	0	349.431	1.883	20	10		EDCDRM
C[C@@H](Cc1cnn(C)c1)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911483544	592928020	/nfs/dbraw/zinc/92/80/20/592928020.db2.gz	CRHHSPVEDJKSAO-LBPRGKRZSA-N	-1	0	331.372	1.418	20	10		EDCDRM
Cn1cnc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000805250170	593427914	/nfs/dbraw/zinc/42/79/14/593427914.db2.gz	OCIWFAXNYBKQJC-UHFFFAOYSA-N	-1	0	330.175	1.827	20	10		EDCDRM
C[C@@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)NC(=O)[O-]	ZINC000824605950	594046696	/nfs/dbraw/zinc/04/66/96/594046696.db2.gz	MNYAHNPKNIOGRZ-STQMWFEESA-N	-1	0	335.404	1.747	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CCCO2)NC(=O)[O-])cc1	ZINC000828055108	594331405	/nfs/dbraw/zinc/33/14/05/594331405.db2.gz	DECVZKYBGIZQQM-PBHICJAKSA-N	-1	0	335.404	1.747	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2COC(=O)C2)NC(=O)[O-])cc1	ZINC000828064845	594333688	/nfs/dbraw/zinc/33/36/88/594333688.db2.gz	ZWHTULRWWRUKIN-BXUZGUMPSA-N	-1	0	349.387	1.131	20	10		EDCDRM
C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H]1C(=O)[O-]	ZINC000828363678	594401713	/nfs/dbraw/zinc/40/17/13/594401713.db2.gz	YCFNSJWSWTXQDQ-CJNGLKHVSA-N	-1	0	347.415	1.385	20	10		EDCDRM
Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[nH]n2)ccc1O	ZINC000826271455	594405503	/nfs/dbraw/zinc/40/55/03/594405503.db2.gz	RXDFPZFCSMETCP-UHFFFAOYSA-N	-1	0	331.357	1.682	20	10		EDCDRM
Cc1ocnc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830952272	594522033	/nfs/dbraw/zinc/52/20/33/594522033.db2.gz	GJVDZCIBTVGSIR-ZDUSSCGKSA-N	-1	0	332.360	1.788	20	10		EDCDRM
COc1cccc(CNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)c1O	ZINC000829560084	594640453	/nfs/dbraw/zinc/64/04/53/594640453.db2.gz	ONVLEHLYHPKAPB-LBPRGKRZSA-N	-1	0	338.360	1.176	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)COC1CN(C(=O)[O-])C1	ZINC000827156380	594648736	/nfs/dbraw/zinc/64/87/36/594648736.db2.gz	GHQMXXGELQRAKM-UHFFFAOYSA-N	-1	0	335.404	1.480	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CCN(C3CC3)C(=O)C2)c([N+](=O)[O-])c1	ZINC000833195309	594803660	/nfs/dbraw/zinc/80/36/60/594803660.db2.gz	FGPBNDAINMKZTG-KXFIGUGUSA-N	-1	0	331.328	1.504	20	10		EDCDRM
COCCCNC(=O)CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000121433364	594864369	/nfs/dbraw/zinc/86/43/69/594864369.db2.gz	CCYJRFCDKUSCLR-UHFFFAOYSA-N	-1	0	345.783	1.538	20	10		EDCDRM
COC(=O)C1=C(C)O[C@@H](CN(C)c2ccc(OCC(=O)[O-])cc2)C1	ZINC000833701453	594910251	/nfs/dbraw/zinc/91/02/51/594910251.db2.gz	ABGBHZYJOYVGGE-CQSZACIVSA-N	-1	0	335.356	1.822	20	10		EDCDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	ZINC000833815667	594937067	/nfs/dbraw/zinc/93/70/67/594937067.db2.gz	AXUKQJFDRCJJOG-NHYWBVRUSA-N	-1	0	325.384	1.749	20	10		EDCDRM
COCC(C)(C)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000833882968	594957089	/nfs/dbraw/zinc/95/70/89/594957089.db2.gz	RZWOATMFTBBOES-AWEZNQCLSA-N	-1	0	337.420	1.850	20	10		EDCDRM
C[C@H](C(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000842570708	595129416	/nfs/dbraw/zinc/12/94/16/595129416.db2.gz	FTFJJCLLSIRERF-UTUOFQBUSA-N	-1	0	338.379	1.776	20	10		EDCDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCC(=O)[O-]	ZINC000844254376	595313620	/nfs/dbraw/zinc/31/36/20/595313620.db2.gz	SLBSQKXDGIVFJP-UHFFFAOYSA-N	-1	0	329.736	1.412	20	10		EDCDRM
CCO[N-]C(=O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C	ZINC000855023690	595569308	/nfs/dbraw/zinc/56/93/08/595569308.db2.gz	GZLDCJXQKMLDDY-UHFFFAOYSA-N	-1	0	329.400	1.821	20	10		EDCDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852951230	595625571	/nfs/dbraw/zinc/62/55/71/595625571.db2.gz	PFXXJFRBZXCCHF-HNNXBMFYSA-N	-1	0	334.416	1.886	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)cc1	ZINC000874416320	597067997	/nfs/dbraw/zinc/06/79/97/597067997.db2.gz	ISAGZSZJRMRFTQ-UPJWGTAASA-N	-1	0	333.388	1.436	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2)cc1	ZINC000874427735	597073939	/nfs/dbraw/zinc/07/39/39/597073939.db2.gz	ISAGZSZJRMRFTQ-JHJVBQTASA-N	-1	0	333.388	1.436	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H](OC)C(C)C)cc1	ZINC000872941423	597133985	/nfs/dbraw/zinc/13/39/85/597133985.db2.gz	MDBKGHAILOKSSX-OAHLLOKOSA-N	-1	0	338.404	1.373	20	10		EDCDRM
COC(=O)CN(CC(=O)OC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000271139012	291077827	/nfs/dbraw/zinc/07/78/27/291077827.db2.gz	UHAWUSRSAUSNKE-UHFFFAOYSA-N	-1	0	346.723	1.102	20	10		EDCDRM
Cn1cc(N2CCN(Cc3c([O-])ccc(Cl)c3F)CC2=O)cn1	ZINC000191382044	443287739	/nfs/dbraw/zinc/28/77/39/443287739.db2.gz	CNSLEDGVSVNYQM-UHFFFAOYSA-N	-1	0	338.770	1.767	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)c2cnc([O-])n(C)c2=O)cc1F	ZINC000267669163	443534602	/nfs/dbraw/zinc/53/46/02/443534602.db2.gz	JKFHGEXSMLDEDP-UHFFFAOYSA-N	-1	0	348.378	1.401	20	10		EDCDRM
COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000276127344	443652146	/nfs/dbraw/zinc/65/21/46/443652146.db2.gz	BZNPFVXNNBXIDD-VXGBXAGGSA-N	-1	0	344.751	1.452	20	10		EDCDRM
Cc1ccc(C(=O)OCC(=O)[N-]OCc2ccccc2)c(O)c1O	ZINC000727003976	578508370	/nfs/dbraw/zinc/50/83/70/578508370.db2.gz	JKGCMFIFNJBHCI-UHFFFAOYSA-N	-1	0	331.324	1.811	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)N3CC[C@H](NC(=O)[O-])C3)ccc21	ZINC000739729202	579242348	/nfs/dbraw/zinc/24/23/48/579242348.db2.gz	CAZRVMLLGGUCMI-AWEZNQCLSA-N	-1	0	332.404	1.621	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](CNC(=O)[O-])C1	ZINC000740076864	579287557	/nfs/dbraw/zinc/28/75/57/579287557.db2.gz	GBYQOMPAQAQUCC-ZDUSSCGKSA-N	-1	0	334.420	1.860	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)c3n[nH]c(C)c3[O-])CC2)cc1	ZINC000747650972	579652339	/nfs/dbraw/zinc/65/23/39/579652339.db2.gz	LCLXFLMUYIZPEH-UHFFFAOYSA-N	-1	0	330.388	1.785	20	10		EDCDRM
CN(C)C(=O)CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1	ZINC000775644315	580396008	/nfs/dbraw/zinc/39/60/08/580396008.db2.gz	GXBFFRWVDIRGAJ-UHFFFAOYSA-N	-1	0	329.803	1.391	20	10		EDCDRM
Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1OCCO	ZINC000782266557	580570173	/nfs/dbraw/zinc/57/01/73/580570173.db2.gz	KQMMXBAGCTYANE-UHFFFAOYSA-N	-1	0	349.368	1.703	20	10		EDCDRM
CCS(=O)(=O)N1CCN(Cc2cc(F)cc(F)c2[O-])[C@H](C)C1	ZINC000894761204	591412653	/nfs/dbraw/zinc/41/26/53/591412653.db2.gz	OBYFHZPLMQAXEP-SNVBAGLBSA-N	-1	0	334.388	1.526	20	10		EDCDRM
CS(=O)(=O)C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1	ZINC000897595229	591574202	/nfs/dbraw/zinc/57/42/02/591574202.db2.gz	JNWCDVTYQGMZCU-SECBINFHSA-N	-1	0	337.800	1.430	20	10		EDCDRM
O=C([O-])[C@@H]1CC(F)(F)CN1Cc1ccc(N2CCOCC2)cc1	ZINC000903912407	592375771	/nfs/dbraw/zinc/37/57/71/592375771.db2.gz	BHHJODNXZAXNQU-AWEZNQCLSA-N	-1	0	326.343	1.817	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(CC(=O)[O-])nn1	ZINC000901605063	592409573	/nfs/dbraw/zinc/40/95/73/592409573.db2.gz	MBMCHEPQWNHPQQ-UHFFFAOYSA-N	-1	0	331.376	1.091	20	10		EDCDRM
COC[C@@H](OC)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360380	593006070	/nfs/dbraw/zinc/00/60/70/593006070.db2.gz	QVUJGPSZLZOODF-GFCCVEGCSA-N	-1	0	331.752	1.120	20	10		EDCDRM
O=S(=O)([N-]c1ccc(C2(O)COC2)cc1)c1cccc2nonc21	ZINC000808120786	593224713	/nfs/dbraw/zinc/22/47/13/593224713.db2.gz	WQCCJMVNQIBJBU-UHFFFAOYSA-N	-1	0	347.352	1.241	20	10		EDCDRM
CCc1cc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)[nH]n1	ZINC000827556870	594232183	/nfs/dbraw/zinc/23/21/83/594232183.db2.gz	OCUIDDKQWNKJQK-HNNXBMFYSA-N	-1	0	345.403	1.777	20	10		EDCDRM
Cc1cc(CC(=O)NCCOCC(=O)[O-])c(C)n1-c1ccccc1	ZINC000826139816	594343393	/nfs/dbraw/zinc/34/33/93/594343393.db2.gz	OWAMBTMHRAZWJY-UHFFFAOYSA-N	-1	0	330.384	1.854	20	10		EDCDRM
COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)N1CCC[C@@H]1C	ZINC000830156475	594346798	/nfs/dbraw/zinc/34/67/98/594346798.db2.gz	UCVVSLMDBYMTMS-QMMMGPOBSA-N	-1	0	332.353	1.459	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)CCNC(=O)[O-])CC2)cc1F	ZINC000829424380	594611592	/nfs/dbraw/zinc/61/15/92/594611592.db2.gz	OYCYXFUDHGZPFP-UHFFFAOYSA-N	-1	0	325.340	1.141	20	10		EDCDRM
COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)c1	ZINC000829483773	594623759	/nfs/dbraw/zinc/62/37/59/594623759.db2.gz	KOWJDRDCACADJS-BJOHPYRUSA-N	-1	0	326.324	1.670	20	10		EDCDRM
COc1cccc(CNC(=O)NC2CCC(NC(=O)[O-])CC2)c1O	ZINC000829559462	594639895	/nfs/dbraw/zinc/63/98/95/594639895.db2.gz	KJRQLSHZABVIDI-UHFFFAOYSA-N	-1	0	337.376	1.779	20	10		EDCDRM
COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)C(=O)[O-])c2C)cc1	ZINC000832138170	594729562	/nfs/dbraw/zinc/72/95/62/594729562.db2.gz	ADALZVCHHHXBRX-HNNXBMFYSA-N	-1	0	332.356	1.278	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)NC[C@@H](NC(=O)[O-])C2CC2)cc1	ZINC000833874327	594954587	/nfs/dbraw/zinc/95/45/87/594954587.db2.gz	IDLAGRAIYNZBHU-OAHLLOKOSA-N	-1	0	334.420	1.940	20	10		EDCDRM
O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	ZINC000834149602	595029288	/nfs/dbraw/zinc/02/92/88/595029288.db2.gz	GQXPGVCHFYDINH-CYBMUJFWSA-N	-1	0	330.340	1.593	20	10		EDCDRM
COC(=O)[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccnn1C	ZINC000843429587	595108964	/nfs/dbraw/zinc/10/89/64/595108964.db2.gz	HEBJRJDVGWCGGO-CYBMUJFWSA-N	-1	0	327.743	1.922	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)NC[C@H](C)C(=O)[O-])CC2)cc1	ZINC000848579280	595407953	/nfs/dbraw/zinc/40/79/53/595407953.db2.gz	XVJGHWNBYMKPGH-LBPRGKRZSA-N	-1	0	335.404	1.684	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)C3(C(=O)[O-])CCC3)CC2)cc1	ZINC000852951072	595625622	/nfs/dbraw/zinc/62/56/22/595625622.db2.gz	NNPNFVWQCXCWMU-UHFFFAOYSA-N	-1	0	332.400	1.989	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)[C@](C)(OC)C(=O)[O-])CC2)cc1	ZINC000852951548	595625643	/nfs/dbraw/zinc/62/56/43/595625643.db2.gz	QYYPHKXLVRBNKA-KRWDZBQOSA-N	-1	0	336.388	1.224	20	10		EDCDRM
O=C([O-])C1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC1	ZINC000852957350	595628651	/nfs/dbraw/zinc/62/86/51/595628651.db2.gz	RHWGAFSAVHZMJN-UHFFFAOYSA-N	-1	0	332.400	1.519	20	10		EDCDRM
CCO[N-]C(=O)CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1	ZINC000862131111	596247793	/nfs/dbraw/zinc/24/77/93/596247793.db2.gz	ZOWZOGNGCBRVQP-UHFFFAOYSA-N	-1	0	343.383	1.704	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)C2)cc1	ZINC000872874828	597106256	/nfs/dbraw/zinc/10/62/56/597106256.db2.gz	PQLSXUCBQKOCRE-WQVCFCJDSA-N	-1	0	346.427	1.995	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC2CCSCC2)cc1	ZINC000872921206	597123942	/nfs/dbraw/zinc/12/39/42/597123942.db2.gz	KHJYUWGANJJFGH-UHFFFAOYSA-N	-1	0	338.429	1.598	20	10		EDCDRM
COCC1(N(C)C(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)CC1	ZINC000872982737	597149552	/nfs/dbraw/zinc/14/95/52/597149552.db2.gz	YLFKCNRELDPPLJ-UHFFFAOYSA-N	-1	0	336.388	1.224	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCCC3(CC3)C2)cc1	ZINC000872986407	597151774	/nfs/dbraw/zinc/15/17/74/597151774.db2.gz	WLTJHWYPVAUUSU-UHFFFAOYSA-N	-1	0	332.400	1.989	20	10		EDCDRM
C[C@H](NCc1nnc2c(=O)n(C)ccn12)c1cc(F)cc(F)c1[O-]	ZINC000883335352	597718697	/nfs/dbraw/zinc/71/86/97/597718697.db2.gz	QQRSBXMVLVQJDA-QMMMGPOBSA-N	-1	0	335.314	1.263	20	10		EDCDRM
C[C@@H](NCc1nnc2c(=O)n(C)ccn12)c1cc(F)cc(F)c1[O-]	ZINC000883335351	597719051	/nfs/dbraw/zinc/71/90/51/597719051.db2.gz	QQRSBXMVLVQJDA-MRVPVSSYSA-N	-1	0	335.314	1.263	20	10		EDCDRM
COC(=O)C[C@@H]1COCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000377832116	291129961	/nfs/dbraw/zinc/12/99/61/291129961.db2.gz	BHYIXLQHFWTGEP-LLVKDONJSA-N	-1	0	344.751	1.718	20	10		EDCDRM
CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1	ZINC000367971784	250198415	/nfs/dbraw/zinc/19/84/15/250198415.db2.gz	FJYFHXGQUNWOCZ-UHFFFAOYSA-N	-1	0	347.868	1.360	20	10		EDCDRM
CCCN(CC(=O)[O-])C(=O)/C=C/c1ccc(N2CCOCC2)cc1	ZINC000184899840	443094006	/nfs/dbraw/zinc/09/40/06/443094006.db2.gz	ZUNPWJQGUGRSGV-VMPITWQZSA-N	-1	0	332.400	1.860	20	10		EDCDRM
C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)S1(=O)=O	ZINC000290829800	444327799	/nfs/dbraw/zinc/32/77/99/444327799.db2.gz	HMCXJCPJFLAKAM-DTORHVGOSA-N	-1	0	348.808	1.961	20	10		EDCDRM
O=[N+]([O-])c1cc(Cl)cc(CN2CCOC[C@@H]2c2ncon2)c1[O-]	ZINC000374828642	446409969	/nfs/dbraw/zinc/40/99/69/446409969.db2.gz	QOZFHBCYCXUEMB-LLVKDONJSA-N	-1	0	340.723	1.910	20	10		EDCDRM
O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)c1cccc(O)c1O	ZINC000376626318	446613792	/nfs/dbraw/zinc/61/37/92/446613792.db2.gz	JSENUSJLNRTCEK-QWRGUYRKSA-N	-1	0	332.335	1.235	20	10		EDCDRM
COc1c(O)c(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)ccc1[N+](=O)[O-]	ZINC000367656611	446571982	/nfs/dbraw/zinc/57/19/82/446571982.db2.gz	DLCWLRTUHNWIAT-WBMJQRKESA-N	-1	0	346.339	1.893	20	10		EDCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CC(=O)NC1CCOCC1	ZINC000740675093	579376957	/nfs/dbraw/zinc/37/69/57/579376957.db2.gz	GYJROQNRLBKZDV-UHFFFAOYSA-N	-1	0	347.415	1.502	20	10		EDCDRM
O=C([O-])Nc1cc(NC(=O)C(=O)NCc2ccccc2O)ccc1F	ZINC000740005260	579279943	/nfs/dbraw/zinc/27/99/43/579279943.db2.gz	FQIITSJNIOZBLZ-UHFFFAOYSA-N	-1	0	347.302	1.876	20	10		EDCDRM
O=C1N=C(N2CCOCC2)S/C1=C\c1cc(F)c([O-])c(F)c1	ZINC000749891383	579743058	/nfs/dbraw/zinc/74/30/58/579743058.db2.gz	IUYQIAXNAAIERE-XFFZJAGNSA-N	-1	0	326.324	1.973	20	10		EDCDRM
O=C([O-])Cn1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)nn1	ZINC000759075069	579997924	/nfs/dbraw/zinc/99/79/24/579997924.db2.gz	ZZNLMKRVYQHTJN-ONNFQVAWSA-N	-1	0	347.381	1.164	20	10		EDCDRM
COCn1nc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1C	ZINC000765990789	580156271	/nfs/dbraw/zinc/15/62/71/580156271.db2.gz	YCHFFLBIKAQWCI-UHFFFAOYSA-N	-1	0	325.390	1.919	20	10		EDCDRM
Cc1cc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)ccc1O	ZINC000771219613	580282672	/nfs/dbraw/zinc/28/26/72/580282672.db2.gz	KLPJRXOHXDWVJM-UHFFFAOYSA-N	-1	0	341.410	1.905	20	10		EDCDRM
O=C([O-])c1cc(NS(=O)(=O)C2Cc3ccccc3C2)ccc1O	ZINC000776434687	580417190	/nfs/dbraw/zinc/41/71/90/580417190.db2.gz	JVMBTDLODRALML-UHFFFAOYSA-N	-1	0	333.365	2.000	20	10		EDCDRM
CCN(CC(=O)[O-])C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000780442587	580522573	/nfs/dbraw/zinc/52/25/73/580522573.db2.gz	HMXOVOXSWYFYQY-UHFFFAOYSA-N	-1	0	337.445	1.856	20	10		EDCDRM
C[C@@H](NC(=O)NC(C)(C)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000780478394	580524060	/nfs/dbraw/zinc/52/40/60/580524060.db2.gz	PQOSQBQYAHJXNQ-GFCCVEGCSA-N	-1	0	335.404	1.747	20	10		EDCDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC(=O)OC)c1	ZINC000790415191	580769042	/nfs/dbraw/zinc/76/90/42/580769042.db2.gz	BBJJUGZWLFZANG-UHFFFAOYSA-N	-1	0	339.373	1.125	20	10		EDCDRM
COc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cn1	ZINC000795348545	580919703	/nfs/dbraw/zinc/91/97/03/580919703.db2.gz	OGLGAUBWTCRDEF-UHFFFAOYSA-N	-1	0	325.302	1.505	20	10		EDCDRM
[O-]c1c(F)cc(Br)cc1CN1CCc2nn[nH]c2C1	ZINC000895353347	591725849	/nfs/dbraw/zinc/72/58/49/591725849.db2.gz	HDMQIDJPTICPOB-UHFFFAOYSA-N	-1	0	327.157	1.970	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC(C)(C)CSC)cc1	ZINC000899857155	591964746	/nfs/dbraw/zinc/96/47/46/591964746.db2.gz	VOXBWROFBCUXLG-UHFFFAOYSA-N	-1	0	340.445	1.844	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)c2ncoc2COCC(=O)[O-])cc1	ZINC000901605049	592409440	/nfs/dbraw/zinc/40/94/40/592409440.db2.gz	LCGNAHOTHGGEOM-UHFFFAOYSA-N	-1	0	347.371	1.614	20	10		EDCDRM
Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000909895346	592715624	/nfs/dbraw/zinc/71/56/24/592715624.db2.gz	JUUFAZUVPJNTLH-IUODEOHRSA-N	-1	0	343.383	1.803	20	10		EDCDRM
Cc1cc(CC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c(C)n1-c1ccccc1	ZINC000910523942	592871795	/nfs/dbraw/zinc/87/17/95/592871795.db2.gz	YQMLYYOPHWZXDS-IBGZPJMESA-N	-1	0	342.395	1.685	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@H](C)CC(=O)[O-])CC2)c(OC)c1	ZINC000911167542	592940923	/nfs/dbraw/zinc/94/09/23/592940923.db2.gz	ZPHDNDKTIHZXAR-GFCCVEGCSA-N	-1	0	336.388	1.463	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H]1CCOC1	ZINC000911359772	593005360	/nfs/dbraw/zinc/00/53/60/593005360.db2.gz	FUCHBQVEKMUFBU-JTQLQIEISA-N	-1	0	327.764	1.885	20	10		EDCDRM
C[C@@H](NC(=O)C(=O)[N-]OC1CCOCC1)c1ccc(N(C)C)cc1	ZINC000807674148	593189381	/nfs/dbraw/zinc/18/93/81/593189381.db2.gz	GXXUPKUIDFPDHP-GFCCVEGCSA-N	-1	0	335.404	1.157	20	10		EDCDRM
CS(=O)(=O)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805019764	593326938	/nfs/dbraw/zinc/32/69/38/593326938.db2.gz	KLIHUXULCIALOJ-UHFFFAOYSA-N	-1	0	341.216	1.543	20	10		EDCDRM
O=C(NCCn1cncn1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805137687	593369352	/nfs/dbraw/zinc/36/93/52/593369352.db2.gz	SGQWKZOHDNJHAP-UHFFFAOYSA-N	-1	0	330.175	1.790	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)C(=O)NCCCCCC(=O)[O-])cc1	ZINC000817109892	593571029	/nfs/dbraw/zinc/57/10/29/593571029.db2.gz	NNQKQXLZFHPBMQ-UHFFFAOYSA-N	-1	0	335.404	1.130	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1	ZINC000817888338	593645232	/nfs/dbraw/zinc/64/52/32/593645232.db2.gz	FJEZEEIZHSYISX-GOSISDBHSA-N	-1	0	347.415	1.034	20	10		EDCDRM
O=C([O-])[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1	ZINC000821512441	593850860	/nfs/dbraw/zinc/85/08/60/593850860.db2.gz	IGQULDQLNVOMJC-MRXNPFEDSA-N	-1	0	349.387	1.871	20	10		EDCDRM
CC(=O)c1cc(Cl)cc(CN2CCO[C@H](CC(=O)[O-])C2)c1O	ZINC000825946541	594287957	/nfs/dbraw/zinc/28/79/57/594287957.db2.gz	DFKXARMBXIJRAW-GFCCVEGCSA-N	-1	0	327.764	1.924	20	10		EDCDRM
Cc1cc(CC(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n[nH]1	ZINC000830028603	594319739	/nfs/dbraw/zinc/31/97/39/594319739.db2.gz	AOUKQXONNOBHPK-OAHLLOKOSA-N	-1	0	345.403	1.452	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000830072578	594330632	/nfs/dbraw/zinc/33/06/32/594330632.db2.gz	HATKLSYUXBRKPU-ZDUSSCGKSA-N	-1	0	334.420	1.955	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ncccc2O)NC(=O)[O-])cc1	ZINC000828064367	594333498	/nfs/dbraw/zinc/33/34/98/594333498.db2.gz	QBOWCJIPAWVNTC-CYBMUJFWSA-N	-1	0	344.371	1.592	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(=O)[O-])cn1	ZINC000830643859	594445856	/nfs/dbraw/zinc/44/58/56/594445856.db2.gz	OIXRTFPHWBRSEA-UHFFFAOYSA-N	-1	0	327.340	1.885	20	10		EDCDRM
Cc1nccc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n1	ZINC000830813313	594485167	/nfs/dbraw/zinc/48/51/67/594485167.db2.gz	OIVDDXGGHHGPBV-OAHLLOKOSA-N	-1	0	343.387	1.590	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@]3(C)CCN(C(=O)[O-])C3)CC2)cc1	ZINC000829423717	594611140	/nfs/dbraw/zinc/61/11/40/594611140.db2.gz	KHGKQMZGGCDQNX-GOSISDBHSA-N	-1	0	347.415	1.734	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)C[C@H]2CSCCN2C(=O)[O-])c1	ZINC000829484876	594623653	/nfs/dbraw/zinc/62/36/53/594623653.db2.gz	WWAJMYCTDYCPQC-NSHDSACASA-N	-1	0	340.401	1.503	20	10		EDCDRM
C[C@H](CC(=O)[O-])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000827295214	594659250	/nfs/dbraw/zinc/65/92/50/594659250.db2.gz	GTZHUMXQYPNANG-CYBMUJFWSA-N	-1	0	334.416	1.622	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCCNC(=O)[O-]	ZINC000833874527	594954405	/nfs/dbraw/zinc/95/44/05/594954405.db2.gz	QGMMGUOPSWEJHE-UHFFFAOYSA-N	-1	0	349.431	1.920	20	10		EDCDRM
O=C([O-])N(CC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	ZINC000833998481	594985618	/nfs/dbraw/zinc/98/56/18/594985618.db2.gz	SDYOAGJBFJEORX-UHFFFAOYSA-N	-1	0	349.456	1.998	20	10		EDCDRM
O=C([O-])N[C@H](CC(=O)NCc1ccc(O)c(O)c1)Cc1ccccc1	ZINC000834128721	595022218	/nfs/dbraw/zinc/02/22/18/595022218.db2.gz	VHNCNCSZYRACSW-AWEZNQCLSA-N	-1	0	344.367	1.983	20	10		EDCDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)N1	ZINC000846160850	595161606	/nfs/dbraw/zinc/16/16/06/595161606.db2.gz	TVIIZVSBVLSNMG-VIFPVBQESA-N	-1	0	339.200	1.007	20	10		EDCDRM
CC1(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)CC1	ZINC000844784767	595395328	/nfs/dbraw/zinc/39/53/28/595395328.db2.gz	QQVXCWZLJSTZMM-UHFFFAOYSA-N	-1	0	348.402	1.051	20	10		EDCDRM
O=C([O-])C1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC=CC1	ZINC000852951892	595626345	/nfs/dbraw/zinc/62/63/45/595626345.db2.gz	RVHGBJSPGBFYGA-UHFFFAOYSA-N	-1	0	330.384	1.560	20	10		EDCDRM
CN1CCOC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000858838907	595901919	/nfs/dbraw/zinc/90/19/19/595901919.db2.gz	PWDVZJFQMATSOW-LLVKDONJSA-N	-1	0	348.230	1.829	20	10		EDCDRM
C[C@@H]1CCCN(S(=O)(=O)[N-]N=c2[nH]c3cccnc3s2)C1	ZINC000857225654	596191105	/nfs/dbraw/zinc/19/11/05/596191105.db2.gz	PFBCCIAHQDLKQM-SECBINFHSA-N	-1	0	327.435	1.585	20	10		EDCDRM
Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cccc(F)c3[O-])C2)cn1	ZINC000874050692	596908161	/nfs/dbraw/zinc/90/81/61/596908161.db2.gz	NIQCIZKIFIEIFQ-OLZOCXBDSA-N	-1	0	333.363	1.955	20	10		EDCDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000874382334	597049823	/nfs/dbraw/zinc/04/98/23/597049823.db2.gz	AYGSUTZHFKYDLQ-KRWDZBQOSA-N	-1	0	335.404	1.385	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)c2ccns2)cc1	ZINC000872881191	597109203	/nfs/dbraw/zinc/10/92/03/597109203.db2.gz	IPGOOGLNNCVRMT-LLVKDONJSA-N	-1	0	349.412	1.920	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC[C@H]2CCCO2)cc1	ZINC000872892616	597113531	/nfs/dbraw/zinc/11/35/31/597113531.db2.gz	OUIDQTVHCWXJNY-OAHLLOKOSA-N	-1	0	336.388	1.272	20	10		EDCDRM
Cc1nnccc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000833927112	605985093	/nfs/dbraw/zinc/98/50/93/605985093.db2.gz	KLBZZVWCTFQRKU-OAHLLOKOSA-N	-1	0	343.387	1.590	20	10		EDCDRM
CCCCN(C(=O)c1cccc(O)c1O)[C@H]1CCS(=O)(=O)C1	ZINC000274986122	443617473	/nfs/dbraw/zinc/61/74/73/443617473.db2.gz	MDQHUDYKBKJKGZ-NSHDSACASA-N	-1	0	327.402	1.527	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2nc(=O)[n-][nH]2)c1O	ZINC000289384034	444125416	/nfs/dbraw/zinc/12/54/16/444125416.db2.gz	QGPWNBVRFHVUSH-ZDUSSCGKSA-N	-1	0	334.351	1.873	20	10		EDCDRM
CSCC[C@H](NC(=O)[O-])C(=O)C(=O)[C@@H]1COc2ccccc2C1	ZINC000372305208	447037035	/nfs/dbraw/zinc/03/70/35/447037035.db2.gz	NIAAPAQHPBYYTI-RYUDHWBXSA-N	-1	0	337.397	1.765	20	10		EDCDRM
Cc1nn(C)c2ncc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc12	ZINC000728696780	578550683	/nfs/dbraw/zinc/55/06/83/578550683.db2.gz	DBKXVUZSHLFPGD-DHDCSXOGSA-N	-1	0	333.351	1.738	20	10		EDCDRM
CC(C)Cn1[n-]c(CC(=O)NCCc2ccc(O)c(O)c2)cc1=O	ZINC000750791678	579781449	/nfs/dbraw/zinc/78/14/49/579781449.db2.gz	MZXXQLIJXNXTOH-UHFFFAOYSA-N	-1	0	333.388	1.145	20	10		EDCDRM
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c[nH]1	ZINC000757653686	579969613	/nfs/dbraw/zinc/96/96/13/579969613.db2.gz	CKFXXINHQDTPHN-UHFFFAOYSA-N	-1	0	340.313	1.006	20	10		EDCDRM
Cn1ccnc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)c1=O	ZINC000775712320	580398272	/nfs/dbraw/zinc/39/82/72/580398272.db2.gz	OWEOAALNOCGTEJ-UHFFFAOYSA-N	-1	0	334.807	1.462	20	10		EDCDRM
C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)c1ccc(N2CCOCC2)cc1	ZINC000785401838	580642459	/nfs/dbraw/zinc/64/24/59/580642459.db2.gz	NTHJBCRRFRKUIV-MAZHCROVSA-N	-1	0	348.399	1.333	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N(CC(=O)[O-])C3CC3)C2)cc1	ZINC000909131290	592737300	/nfs/dbraw/zinc/73/73/00/592737300.db2.gz	GFKJFKQCXBDMTI-CYBMUJFWSA-N	-1	0	347.415	1.780	20	10		EDCDRM
Cc1cc(C(=O)N2CC([C@H](F)C(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000910130059	592770226	/nfs/dbraw/zinc/77/02/26/592770226.db2.gz	PHNPJRVBSUCVMT-HNNXBMFYSA-N	-1	0	331.347	1.984	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)CN1CCc2ccccc21	ZINC000911485176	592928523	/nfs/dbraw/zinc/92/85/23/592928523.db2.gz	HBATZZDHDYSHTG-UHFFFAOYSA-N	-1	0	340.379	1.868	20	10		EDCDRM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1cc(Br)ccc1O	ZINC000911555107	592944697	/nfs/dbraw/zinc/94/46/97/592944697.db2.gz	HLEDSSNRMDMLET-VHSXEESVSA-N	-1	0	328.162	1.882	20	10		EDCDRM
CN(C)S(=O)(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807836795	593203178	/nfs/dbraw/zinc/20/31/78/593203178.db2.gz	PKIMMBPWCMFIKO-UHFFFAOYSA-N	-1	0	341.216	1.207	20	10		EDCDRM
Cn1cc(C[C@@H](O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000807837883	593203248	/nfs/dbraw/zinc/20/32/48/593203248.db2.gz	FVGTZQLILDVXOV-GFCCVEGCSA-N	-1	0	344.198	1.652	20	10		EDCDRM
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1n[nH]c(C)c1[O-]	ZINC000819697144	593764055	/nfs/dbraw/zinc/76/40/55/593764055.db2.gz	QLFOPTIHVHDRHN-UHFFFAOYSA-N	-1	0	333.344	1.335	20	10		EDCDRM
Cc1ocnc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830952271	594522034	/nfs/dbraw/zinc/52/20/34/594522034.db2.gz	GJVDZCIBTVGSIR-CYBMUJFWSA-N	-1	0	332.360	1.788	20	10		EDCDRM
O=C([O-])N1CCO[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1	ZINC000831715047	594695413	/nfs/dbraw/zinc/69/54/13/594695413.db2.gz	LIIPOPJNYZZCOP-MRXNPFEDSA-N	-1	0	347.415	1.672	20	10		EDCDRM
O=C([O-])NC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1	ZINC000832171607	594732078	/nfs/dbraw/zinc/73/20/78/594732078.db2.gz	DGAWAIGYPKPJGY-UHFFFAOYSA-N	-1	0	347.415	1.312	20	10		EDCDRM
O=C([O-])NC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	ZINC000832172473	594732207	/nfs/dbraw/zinc/73/22/07/594732207.db2.gz	KHKNGBLKOKIHIN-UHFFFAOYSA-N	-1	0	335.429	1.656	20	10		EDCDRM
Cc1oc(C(=O)[O-])cc1COc1ccc(C(=O)N(C)CCO)cc1	ZINC000833025381	594792330	/nfs/dbraw/zinc/79/23/30/594792330.db2.gz	IZEOEYVUXXNKGL-UHFFFAOYSA-N	-1	0	333.340	1.930	20	10		EDCDRM
Cn1ncc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)n1	ZINC000840729801	594812674	/nfs/dbraw/zinc/81/26/74/594812674.db2.gz	DGHOLPOBWXHVPC-YFHOEESVSA-N	-1	0	340.430	1.661	20	10		EDCDRM
O=C([O-])N[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1	ZINC000834148633	595028921	/nfs/dbraw/zinc/02/89/21/595028921.db2.gz	WTOZTWNXWDNSGT-INIZCTEOSA-N	-1	0	344.415	1.908	20	10		EDCDRM
C[C@@H]1C(=O)N(C)CN1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-]	ZINC000842643236	595154356	/nfs/dbraw/zinc/15/43/56/595154356.db2.gz	YJOVSFWDDKLYOU-GFCCVEGCSA-N	-1	0	340.379	1.949	20	10		EDCDRM
CN(C[C@H]1CCCS(=O)(=O)C1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279996	595195452	/nfs/dbraw/zinc/19/54/52/595195452.db2.gz	SAMCWBRMMVCJNP-GFCCVEGCSA-N	-1	0	327.402	1.411	20	10		EDCDRM
CCN(CC)c1ccc(CNS(=O)(=O)c2ncc[n-]2)cc1F	ZINC000866754855	596323766	/nfs/dbraw/zinc/32/37/66/596323766.db2.gz	LYTCGDXDNOXZRV-UHFFFAOYSA-N	-1	0	326.397	1.874	20	10		EDCDRM
CCOC(=O)c1[n-]n(-c2ccc(C(=O)OC)cc2OC)c(=O)c1C	ZINC000871955065	596758935	/nfs/dbraw/zinc/75/89/35/596758935.db2.gz	QDVWSUDNQDJLMS-VIFPVBQESA-N	-1	0	334.328	1.384	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCCSCC2)cc1	ZINC000872913093	597121278	/nfs/dbraw/zinc/12/12/78/597121278.db2.gz	ACTUGXLLRGLRQQ-UHFFFAOYSA-N	-1	0	338.429	1.552	20	10		EDCDRM
O=C(CN1CCN(Cc2ccc(F)c(F)c2[O-])CC1)NC1CC1	ZINC000876548737	597235523	/nfs/dbraw/zinc/23/55/23/597235523.db2.gz	RRPGNRZDVCKCAI-UHFFFAOYSA-N	-1	0	325.359	1.067	20	10		EDCDRM
C[C@@H](CCNC(=O)NCc1ccc(N(C)C)c(F)c1)NC(=O)[O-]	ZINC000738898871	602559758	/nfs/dbraw/zinc/55/97/58/602559758.db2.gz	BNTJOQHKHCPSKS-JTQLQIEISA-N	-1	0	326.372	1.737	20	10		EDCDRM
O=C([O-])NC[C@H]1CCN(C(=O)NCCCSc2nccs2)C1	ZINC000832584462	604337622	/nfs/dbraw/zinc/33/76/22/604337622.db2.gz	VHFDUIADXMKMRG-SNVBAGLBSA-N	-1	0	344.462	1.924	20	10		EDCDRM
O=C(c1cccc(O)c1O)N1CCOC[C@H]1C[C@@H](O)c1ccco1	ZINC000279867903	443633183	/nfs/dbraw/zinc/63/31/83/443633183.db2.gz	QKJJFSGYLNDGAJ-BXUZGUMPSA-N	-1	0	333.340	1.656	20	10		EDCDRM
COC(=O)C(C)(C)CS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000287274068	443739907	/nfs/dbraw/zinc/73/99/07/443739907.db2.gz	QXZMXDGTMNGMRH-UHFFFAOYSA-N	-1	0	331.346	1.031	20	10		EDCDRM
CS(=O)(=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCCC1	ZINC000285377682	443961241	/nfs/dbraw/zinc/96/12/41/443961241.db2.gz	CHZMLYOENVRHAG-UHFFFAOYSA-N	-1	0	328.390	1.747	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)NC2CCC(NC(=O)[O-])CC2)c1	ZINC000739933362	579270001	/nfs/dbraw/zinc/27/00/01/579270001.db2.gz	XTPBVVHKHCINIT-UHFFFAOYSA-N	-1	0	337.376	1.779	20	10		EDCDRM
O=C([O-])NCc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1	ZINC000739987219	579278596	/nfs/dbraw/zinc/27/85/96/579278596.db2.gz	WTOMHAAUDMEBIS-UHFFFAOYSA-N	-1	0	343.339	1.415	20	10		EDCDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1	ZINC000766048038	580157461	/nfs/dbraw/zinc/15/74/61/580157461.db2.gz	PIOLQIXWOIECJV-UHFFFAOYSA-N	-1	0	339.325	1.775	20	10		EDCDRM
Cn1cnc2cc(S(=O)(=O)Nc3ccc(O)c(C(=O)[O-])c3)ccc21	ZINC000776434446	580417197	/nfs/dbraw/zinc/41/71/97/580417197.db2.gz	GEDOIJVYQFVOJO-UHFFFAOYSA-N	-1	0	347.352	1.778	20	10		EDCDRM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCO[C@H]3C[C@H]32)c1	ZINC000793625276	580849233	/nfs/dbraw/zinc/84/92/33/580849233.db2.gz	YZDFWMFQZIGTCJ-MSOLQXFVSA-N	-1	0	346.427	1.400	20	10		EDCDRM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)o1	ZINC000797820311	580981650	/nfs/dbraw/zinc/98/16/50/580981650.db2.gz	QRSMUZUJBFZUKC-UHFFFAOYSA-N	-1	0	341.341	1.971	20	10		EDCDRM
O=C1NCC2(CN(Cc3cc(Br)cc(F)c3[O-])C2)O1	ZINC000895036682	591530908	/nfs/dbraw/zinc/53/09/08/591530908.db2.gz	OQZPAUXQPPIDHY-UHFFFAOYSA-N	-1	0	331.141	1.588	20	10		EDCDRM
COCC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(=O)[O-]	ZINC000909627134	591867508	/nfs/dbraw/zinc/86/75/08/591867508.db2.gz	YVOMBFRREYXDAF-CQSZACIVSA-N	-1	0	331.372	1.709	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)c2cncs2)cc1	ZINC000899851311	591959617	/nfs/dbraw/zinc/95/96/17/591959617.db2.gz	PDQMVYMGFPQHLO-LLVKDONJSA-N	-1	0	349.412	1.920	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@H](Cc2cncs2)C(=O)[O-])cc1	ZINC000908759017	592601314	/nfs/dbraw/zinc/60/13/14/592601314.db2.gz	WEUGEWLGYJNNJB-CQSZACIVSA-N	-1	0	348.428	1.704	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)CC1(C(=O)[O-])CCOCC1	ZINC000911408154	592913911	/nfs/dbraw/zinc/91/39/11/592913911.db2.gz	AMMFBZMPQIBYSP-UHFFFAOYSA-N	-1	0	334.416	1.949	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H]1CCOC1	ZINC000911359773	593005523	/nfs/dbraw/zinc/00/55/23/593005523.db2.gz	FUCHBQVEKMUFBU-SNVBAGLBSA-N	-1	0	327.764	1.885	20	10		EDCDRM
CCn1[n-]nnc1=NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	ZINC000888339420	593030676	/nfs/dbraw/zinc/03/06/76/593030676.db2.gz	AYXROJUPRIHNNH-UHFFFAOYSA-N	-1	0	331.424	1.623	20	10		EDCDRM
O=S1(=O)CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H]2CCOC[C@H]21	ZINC000839185667	593272384	/nfs/dbraw/zinc/27/23/84/593272384.db2.gz	FRGLUDRSBHFZRF-QWHCGFSZSA-N	-1	0	349.811	1.573	20	10		EDCDRM
CCN(CC)c1ccc(CN(C)CCS(=O)(=O)CC(=O)[O-])cc1	ZINC000806564489	593457742	/nfs/dbraw/zinc/45/77/42/593457742.db2.gz	CXKDLLSZUTXZIU-UHFFFAOYSA-N	-1	0	342.461	1.464	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000829687947	594240338	/nfs/dbraw/zinc/24/03/38/594240338.db2.gz	RNRVAUYJYAJHNX-MRXNPFEDSA-N	-1	0	349.431	1.918	20	10		EDCDRM
Cc1cc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)[nH]n1	ZINC000829946960	594298431	/nfs/dbraw/zinc/29/84/31/594298431.db2.gz	SXQBVKKGWAHOTJ-CQSZACIVSA-N	-1	0	331.376	1.523	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000828354731	594399411	/nfs/dbraw/zinc/39/94/11/594399411.db2.gz	BCHMYEYAZIXHQK-MRXNPFEDSA-N	-1	0	349.431	1.870	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)[C@@H]3CN(C(=O)[O-])CCO3)ccc21	ZINC000828486661	594434023	/nfs/dbraw/zinc/43/40/23/594434023.db2.gz	FBSCKMYGEVRLKW-HNNXBMFYSA-N	-1	0	333.388	1.064	20	10		EDCDRM
COC(=O)/C=C/c1ccc(N2CC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000828649143	594472293	/nfs/dbraw/zinc/47/22/93/594472293.db2.gz	XTLQIKUXQDSANE-FVOPLDGLSA-N	-1	0	349.343	1.970	20	10		EDCDRM
O=C([O-])N1CC(CC(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000831360436	594614921	/nfs/dbraw/zinc/61/49/21/594614921.db2.gz	FURNNUUTLHOCGI-UHFFFAOYSA-N	-1	0	333.388	1.139	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000827156502	594648834	/nfs/dbraw/zinc/64/88/34/594648834.db2.gz	HIFGYWMQATZYPK-HNNXBMFYSA-N	-1	0	335.404	1.480	20	10		EDCDRM
CC(=O)NCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H](C)C(=O)[O-]	ZINC000840997104	594836569	/nfs/dbraw/zinc/83/65/69/594836569.db2.gz	TZGRUBOQVFMNLA-GEXIGZQTSA-N	-1	0	333.432	1.677	20	10		EDCDRM
Cc1c(CO)cc([N+](=O)[O-])c(N(C)C[C@@H](C)C(=O)[O-])c1[N+](=O)[O-]	ZINC000841511206	594912071	/nfs/dbraw/zinc/91/20/71/594912071.db2.gz	PWHFMSOIVPKOTG-SSDOTTSWSA-N	-1	0	327.293	1.461	20	10		EDCDRM
O=C([O-])[C@@H](O)C1CC[NH+](Cc2cccc(Br)c2[O-])CC1	ZINC000833770279	594926080	/nfs/dbraw/zinc/92/60/80/594926080.db2.gz	BRQTVSBNQUOAFW-ZDUSSCGKSA-N	-1	0	344.205	1.812	20	10		EDCDRM
Cc1nc(C(=O)NCc2cccc(Br)c2O)n(C)n1	ZINC000836208829	594938810	/nfs/dbraw/zinc/93/88/10/594938810.db2.gz	OCDJMZONXUMEPU-UHFFFAOYSA-N	-1	0	325.166	1.522	20	10		EDCDRM
O=C([O-])N1CC[C@H](N(C(=O)/C=C\c2ccc(O)c(O)c2)C2CC2)C1	ZINC000834086705	595010868	/nfs/dbraw/zinc/01/08/68/595010868.db2.gz	WETPGUMNXVYETA-XYRDXQRHSA-N	-1	0	332.356	1.854	20	10		EDCDRM
O=S1(=O)CC[C@@]2(C1)CN(Cc1cc(Cl)c(F)cc1[O-])CCO2	ZINC000843425733	595107696	/nfs/dbraw/zinc/10/76/96/595107696.db2.gz	HGDAGACQALTWRD-AWEZNQCLSA-N	-1	0	349.811	1.574	20	10		EDCDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)C[C@@H](OC)C(C)C	ZINC000842587036	595133587	/nfs/dbraw/zinc/13/35/87/595133587.db2.gz	UKHUYAIKFOYZSS-CYBMUJFWSA-N	-1	0	349.380	1.731	20	10		EDCDRM
CCO[N-]C(=O)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	ZINC000846499852	595254278	/nfs/dbraw/zinc/25/42/78/595254278.db2.gz	ZDVXTLDSBSPGOG-UHFFFAOYSA-N	-1	0	345.399	1.900	20	10		EDCDRM
O=C([O-])c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)nn1	ZINC000844207433	595302220	/nfs/dbraw/zinc/30/22/20/595302220.db2.gz	FPVPIBKPZTYHPP-UHFFFAOYSA-N	-1	0	342.399	1.996	20	10		EDCDRM
COC[C@]1(CO)CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000844213525	595303676	/nfs/dbraw/zinc/30/36/76/595303676.db2.gz	IKLUNEDFRUZFBL-LLCTXKFZSA-N	-1	0	336.344	1.528	20	10		EDCDRM
COc1ccc(N2CCN(c3ncc(C(=O)[O-])cn3)CC2)cc1F	ZINC000844213955	595303830	/nfs/dbraw/zinc/30/38/30/595303830.db2.gz	BCYJLHNBCFLFQL-UHFFFAOYSA-N	-1	0	332.335	1.649	20	10		EDCDRM
Nc1ccc(Cc2nc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cs2)cc1	ZINC000844932190	595416077	/nfs/dbraw/zinc/41/60/77/595416077.db2.gz	QGSVWARDQLOFBS-CYBMUJFWSA-N	-1	0	347.396	1.242	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@]3(C(=O)[O-])CC3(C)C)CC2)cc1	ZINC000852942264	595621672	/nfs/dbraw/zinc/62/16/72/595621672.db2.gz	HIZXTTAZESSAPB-GOSISDBHSA-N	-1	0	332.400	1.845	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@H]2C[C@H]2C2CC2)cc1	ZINC000853010488	595640794	/nfs/dbraw/zinc/64/07/94/595640794.db2.gz	CYXWSLILCPTWLD-BBRMVZONSA-N	-1	0	332.400	1.749	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)NCC2(C(=O)[O-])CCC2)cc1	ZINC000851687445	595885655	/nfs/dbraw/zinc/88/56/55/595885655.db2.gz	UTWGMDIXILXDQU-UHFFFAOYSA-N	-1	0	347.415	1.082	20	10		EDCDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	ZINC000874397969	597059221	/nfs/dbraw/zinc/05/92/21/597059221.db2.gz	CPQVMMZTRCMLBI-ACJLOTCBSA-N	-1	0	349.431	1.946	20	10		EDCDRM
O=C([O-])[C@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	ZINC000874424570	597072129	/nfs/dbraw/zinc/07/21/29/597072129.db2.gz	ATEYKFWIDHRBCN-RBSFLKMASA-N	-1	0	348.399	1.946	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)Cc2ccco2)cc1	ZINC000872885139	597110505	/nfs/dbraw/zinc/11/05/05/597110505.db2.gz	FXLQHHIVNXKLDW-UHFFFAOYSA-N	-1	0	332.356	1.838	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H]2CCO[C@H](C)C2)cc1	ZINC000872960832	597140698	/nfs/dbraw/zinc/14/06/98/597140698.db2.gz	PHLZLARCMOOPCI-OLZOCXBDSA-N	-1	0	336.388	1.270	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@]23C[C@@H]2COC3(C)C)cc1	ZINC000872987429	597151375	/nfs/dbraw/zinc/15/13/75/597151375.db2.gz	MWRGURGLGJCIMG-XIKOKIGWSA-N	-1	0	348.399	1.270	20	10		EDCDRM
COCCN(Cc1ccc(F)c(F)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000877531378	597532137	/nfs/dbraw/zinc/53/21/37/597532137.db2.gz	PHCCCNJNJMBYNP-NSHDSACASA-N	-1	0	335.372	1.306	20	10		EDCDRM
O=C(c1cccc(O)c1O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1	ZINC000279867934	443633066	/nfs/dbraw/zinc/63/30/66/443633066.db2.gz	QKJJFSGYLNDGAJ-SMDDNHRTSA-N	-1	0	333.340	1.656	20	10		EDCDRM
O=C([O-])c1cc(O)ccc1NS(=O)(=O)CCC1CCOCC1	ZINC000292480908	443796903	/nfs/dbraw/zinc/79/69/03/443796903.db2.gz	QRIKAEPKWJJFBD-UHFFFAOYSA-N	-1	0	329.374	1.649	20	10		EDCDRM
CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C)c(O)c1O	ZINC000365024212	445978408	/nfs/dbraw/zinc/97/84/08/445978408.db2.gz	WOODYBZOPOQNFN-OAHLLOKOSA-N	-1	0	340.379	1.719	20	10		EDCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1nccn1CC(F)(F)F	ZINC000728697544	578550726	/nfs/dbraw/zinc/55/07/26/578550726.db2.gz	RMKGNIFPNTWALF-FLIBITNWSA-N	-1	0	336.273	1.907	20	10		EDCDRM
CN(c1ccccc1C(N)=O)S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753014751	579870504	/nfs/dbraw/zinc/87/05/04/579870504.db2.gz	CZUWITXBJQASOC-UHFFFAOYSA-N	-1	0	342.323	1.594	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000795346631	580919662	/nfs/dbraw/zinc/91/96/62/580919662.db2.gz	BJSPNWNKYGHCGQ-SNVBAGLBSA-N	-1	0	329.374	1.347	20	10		EDCDRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1c(Cl)cnn1C	ZINC000797432152	580975573	/nfs/dbraw/zinc/97/55/73/580975573.db2.gz	OWXGMJGJWQZZSW-UHFFFAOYSA-N	-1	0	331.781	1.979	20	10		EDCDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1	ZINC000840918435	590805163	/nfs/dbraw/zinc/80/51/63/590805163.db2.gz	SVHQXNVLMKEKRA-UHFFFAOYSA-N	-1	0	331.781	1.726	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)C34CC(C(=O)[O-])(C3)C4)CC2)cc1	ZINC000911094413	592922169	/nfs/dbraw/zinc/92/21/69/592922169.db2.gz	UMUMJDFVQXHYHY-UHFFFAOYSA-N	-1	0	330.384	1.599	20	10		EDCDRM
CCC(=O)N1CCC[C@H](C(=O)N(CC(=O)[O-])Cc2ccccc2O)C1	ZINC000911485273	592928525	/nfs/dbraw/zinc/92/85/25/592928525.db2.gz	UYZNATQSOWXMBT-AWEZNQCLSA-N	-1	0	348.399	1.454	20	10		EDCDRM
Cn1cncc1[C@@H]1C[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911490563	592929685	/nfs/dbraw/zinc/92/96/85/592929685.db2.gz	ZXOYGMOFENEPTO-CHWSQXEVSA-N	-1	0	329.356	1.343	20	10		EDCDRM
Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c(C)n1-c1ccccn1	ZINC000733723750	592953158	/nfs/dbraw/zinc/95/31/58/592953158.db2.gz	VDAZJDCNCYZQAT-CYBMUJFWSA-N	-1	0	349.412	1.338	20	10		EDCDRM
COC(=O)[C@@H]1CSCCN(C(=O)c2c(F)ccc(O)c2O)C1	ZINC000839936048	593217257	/nfs/dbraw/zinc/21/72/57/593217257.db2.gz	YTVMVMGHKIYKFB-QMMMGPOBSA-N	-1	0	329.349	1.215	20	10		EDCDRM
CN1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1=O	ZINC000805142991	593374700	/nfs/dbraw/zinc/37/47/00/593374700.db2.gz	BZSHDFTXLKUTHH-SNVBAGLBSA-N	-1	0	332.187	1.729	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000817113750	593571808	/nfs/dbraw/zinc/57/18/08/593571808.db2.gz	FCJXAWFCFJEVHK-UHFFFAOYSA-N	-1	0	347.415	1.000	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCCC(=O)[O-]	ZINC000817113949	593571834	/nfs/dbraw/zinc/57/18/34/593571834.db2.gz	YIKBUBOWZZXRSI-UHFFFAOYSA-N	-1	0	349.431	1.472	20	10		EDCDRM
CC[C@@H](CS(=O)(=O)[N-]c1cc(F)c(O)cc1C(=O)OC)OC	ZINC000817352123	593594319	/nfs/dbraw/zinc/59/43/19/593594319.db2.gz	DADLZVMGQKRFOQ-QMMMGPOBSA-N	-1	0	335.353	1.485	20	10		EDCDRM
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000817897315	593646679	/nfs/dbraw/zinc/64/66/79/593646679.db2.gz	KEPPTYHEUZBAPH-GOSISDBHSA-N	-1	0	348.399	1.454	20	10		EDCDRM
O=C([O-])CN(C(=O)/C=C\c1cccnc1)c1ccc2c(c1)OCO2	ZINC000819507482	593757243	/nfs/dbraw/zinc/75/72/43/593757243.db2.gz	FXKBKGYXQYOBOD-UTCJRWHESA-N	-1	0	326.308	1.941	20	10		EDCDRM
CN(Cc1ccccc1O)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825981081	594296697	/nfs/dbraw/zinc/29/66/97/594296697.db2.gz	OIKZJGJFAVYQSD-HNNXBMFYSA-N	-1	0	339.355	1.264	20	10		EDCDRM
O=C([O-])N1CC[C@@](F)(C(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000831900961	594710140	/nfs/dbraw/zinc/71/01/40/594710140.db2.gz	DKYBBULERRULFC-KRWDZBQOSA-N	-1	0	335.379	1.995	20	10		EDCDRM
Cc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000832861395	594781700	/nfs/dbraw/zinc/78/17/00/594781700.db2.gz	FWJOVPQISRDHCP-AWEZNQCLSA-N	-1	0	343.383	1.805	20	10		EDCDRM
CN(Cc1ccc(N2CCCCC2)cc1)CN1C[C@H](C(=O)[O-])CC1=O	ZINC000833695531	594908717	/nfs/dbraw/zinc/90/87/17/594908717.db2.gz	PTVQSWVXJGITIL-MRXNPFEDSA-N	-1	0	345.443	1.999	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CCO[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1	ZINC000844209540	595303010	/nfs/dbraw/zinc/30/30/10/595303010.db2.gz	GPERFBYYCCOGBV-OUMXJLHTSA-N	-1	0	334.328	1.688	20	10		EDCDRM
COc1cc([N+](=O)[O-])c(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1OC	ZINC000852910729	595610988	/nfs/dbraw/zinc/61/09/88/595610988.db2.gz	ZXBHERKVTVLXLW-RFAUZJTJSA-N	-1	0	338.316	1.149	20	10		EDCDRM
CC[C@@](C)(CNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1)OC	ZINC000853010564	595640966	/nfs/dbraw/zinc/64/09/66/595640966.db2.gz	FYHORBPVERPRQM-KRWDZBQOSA-N	-1	0	338.404	1.518	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)C2)cc1	ZINC000851651526	595868501	/nfs/dbraw/zinc/86/85/01/595868501.db2.gz	LZCHFFCOYKHSGY-CZUORRHYSA-N	-1	0	349.431	1.930	20	10		EDCDRM
COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O	ZINC000852414889	596152061	/nfs/dbraw/zinc/15/20/61/596152061.db2.gz	AQIZEMNOCGABDO-GXTWGEPZSA-N	-1	0	327.764	1.668	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)CSC)cc1	ZINC000872934393	597131555	/nfs/dbraw/zinc/13/15/55/597131555.db2.gz	BYFUTQREBNKDHI-NSHDSACASA-N	-1	0	326.418	1.454	20	10		EDCDRM
COC[C@H](NC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1)C(C)C	ZINC000872989798	597152644	/nfs/dbraw/zinc/15/26/44/597152644.db2.gz	FJJDYXWVEWMXOW-HNNXBMFYSA-N	-1	0	338.404	1.373	20	10		EDCDRM
COCC1(NC(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)CCC1	ZINC000872990859	597152777	/nfs/dbraw/zinc/15/27/77/597152777.db2.gz	PYYPGRSUWMKDRH-UHFFFAOYSA-N	-1	0	336.388	1.272	20	10		EDCDRM
CNC(=O)[C@H]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000326407583	600239110	/nfs/dbraw/zinc/23/91/10/600239110.db2.gz	RRPMCHMTTFDKCI-PZBABLGHSA-N	-1	0	333.344	1.655	20	10		EDCDRM
C[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000738959723	603231042	/nfs/dbraw/zinc/23/10/42/603231042.db2.gz	KPXGVGBQEDCAQS-DZGCQCFKSA-N	-1	0	347.415	1.700	20	10		EDCDRM
O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(O)c1O	ZINC000294030310	444099924	/nfs/dbraw/zinc/09/99/24/444099924.db2.gz	FPWXDLXCJOMCAJ-OAHLLOKOSA-N	-1	0	342.395	1.247	20	10		EDCDRM
COCCn1cc2c(n1)[C@H](NC(=O)c1cccc(O)c1O)CCC2	ZINC000366151611	446043905	/nfs/dbraw/zinc/04/39/05/446043905.db2.gz	LTEVHNKQPFMYBY-CYBMUJFWSA-N	-1	0	331.372	1.748	20	10		EDCDRM
O=C(c1cccc(O)c1O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1	ZINC000365682478	446298886	/nfs/dbraw/zinc/29/88/86/446298886.db2.gz	UWDCBMLZEMIDIA-SNVBAGLBSA-N	-1	0	332.316	1.680	20	10		EDCDRM
CCN(CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000739382659	578279868	/nfs/dbraw/zinc/27/98/68/578279868.db2.gz	LKUGAHUMCQHRBU-UHFFFAOYSA-N	-1	0	335.404	1.482	20	10		EDCDRM
CC(=O)Nc1nnc(SCC(=O)c2ccc(O)c(O)c2)s1	ZINC000729642793	578586036	/nfs/dbraw/zinc/58/60/36/578586036.db2.gz	IOUQHWHLTCZICZ-UHFFFAOYSA-N	-1	0	325.371	1.883	20	10		EDCDRM
CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1cccc2nonc21	ZINC000776657555	580425554	/nfs/dbraw/zinc/42/55/54/580425554.db2.gz	DPRMYOYAZYKECG-UHFFFAOYSA-N	-1	0	333.325	1.746	20	10		EDCDRM
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000840554362	590960957	/nfs/dbraw/zinc/96/09/57/590960957.db2.gz	GODYYZFHJGWXLG-SNVBAGLBSA-N	-1	0	331.376	1.018	20	10		EDCDRM
Cc1nnc(CN2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)[nH]1	ZINC000895265496	591691480	/nfs/dbraw/zinc/69/14/80/591691480.db2.gz	QQMIIKUDEJTEGV-UHFFFAOYSA-N	-1	0	339.802	1.929	20	10		EDCDRM
CC[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000908734610	592588575	/nfs/dbraw/zinc/58/85/75/592588575.db2.gz	VMKKUZSUQZYREQ-INIZCTEOSA-N	-1	0	334.416	1.622	20	10		EDCDRM
O=C([O-])[C@]1(NC(=O)NCc2ccc(N3CCCC3)cc2)CCOC1	ZINC000908848106	592641145	/nfs/dbraw/zinc/64/11/45/592641145.db2.gz	YWDCGMGYXUFCOA-KRWDZBQOSA-N	-1	0	333.388	1.330	20	10		EDCDRM
CC[C@@](COC)(NC(=O)NCc1ccc(N(C)C)cc1C)C(=O)[O-]	ZINC000909042429	592711938	/nfs/dbraw/zinc/71/19/38/592711938.db2.gz	CXPDPGVHXOQKMV-KRWDZBQOSA-N	-1	0	337.420	1.740	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000911409013	592913760	/nfs/dbraw/zinc/91/37/60/592913760.db2.gz	FCPNCSWOOCPZFL-GOEBONIOSA-N	-1	0	334.416	1.947	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](C)[C@@H](C(=O)[O-])O3)CC2)cc1	ZINC000911094264	592922143	/nfs/dbraw/zinc/92/21/43/592922143.db2.gz	NLEZMNGCWISHSH-RCBQFDQVSA-N	-1	0	348.399	1.222	20	10		EDCDRM
C[C@@H](OC[C@H]1CCCO1)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911487406	592928678	/nfs/dbraw/zinc/92/86/78/592928678.db2.gz	SVGQQKPSONNPQZ-TZMCWYRMSA-N	-1	0	337.372	1.390	20	10		EDCDRM
O=S1(=O)CCN(Cc2c(O)cccc2Cl)[C@H]2CCOC[C@@H]21	ZINC000839186709	593272662	/nfs/dbraw/zinc/27/26/62/593272662.db2.gz	OBCKLMOUKBNOHG-JSGCOSHPSA-N	-1	0	331.821	1.434	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000817108832	593570803	/nfs/dbraw/zinc/57/08/03/593570803.db2.gz	NLSOKSRGTDQOFN-CQSZACIVSA-N	-1	0	347.415	1.082	20	10		EDCDRM
C[C@@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1)n1cncn1	ZINC000823687634	593834893	/nfs/dbraw/zinc/83/48/93/593834893.db2.gz	YCRCOMXODUYTOT-SMDDNHRTSA-N	-1	0	346.391	1.030	20	10		EDCDRM
O=C([O-])[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCO1	ZINC000821512439	593850979	/nfs/dbraw/zinc/85/09/79/593850979.db2.gz	IGQULDQLNVOMJC-INIZCTEOSA-N	-1	0	349.387	1.871	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccon2)NC(=O)[O-])cc1	ZINC000828063918	594333647	/nfs/dbraw/zinc/33/36/47/594333647.db2.gz	JHNHVGVJBNWNMB-CQSZACIVSA-N	-1	0	332.360	1.408	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)CN(CC1CC1)C(=O)[O-]	ZINC000828072990	594334939	/nfs/dbraw/zinc/33/49/39/594334939.db2.gz	DLGCIPOZMKDPAS-UHFFFAOYSA-N	-1	0	333.388	1.868	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)COC(=O)C2(NC(=O)[O-])CC2)cc1	ZINC000828355458	594399776	/nfs/dbraw/zinc/39/97/76/594399776.db2.gz	LWJQLVNSPOWMTI-UHFFFAOYSA-N	-1	0	349.387	1.054	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)CC3CN(C(=O)[O-])C3)CC2)cc1	ZINC000829425018	594611580	/nfs/dbraw/zinc/61/15/80/594611580.db2.gz	XKZYZBVPNVFOKW-UHFFFAOYSA-N	-1	0	333.388	1.344	20	10		EDCDRM
O=C(C[C@H]1CN(C(=O)[O-])CCO1)NCc1ccc(N2CCCC2)cc1	ZINC000831388502	594621130	/nfs/dbraw/zinc/62/11/30/594621130.db2.gz	VMQIKNIUDHPDPI-INIZCTEOSA-N	-1	0	347.415	1.672	20	10		EDCDRM
COc1cccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1O	ZINC000829558550	594639838	/nfs/dbraw/zinc/63/98/38/594639838.db2.gz	ABCMMUTYAPAQMZ-YHWZYXNKSA-N	-1	0	349.387	1.873	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000843257457	595054707	/nfs/dbraw/zinc/05/47/07/595054707.db2.gz	PMVRUKPEZVQGCN-GXTWGEPZSA-N	-1	0	347.415	1.047	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CCC(OCCO)CC2)c([N+](=O)[O-])c1	ZINC000844212337	595303495	/nfs/dbraw/zinc/30/34/95/595303495.db2.gz	GCVAUFYTVXZRNO-RQOWECAXSA-N	-1	0	336.344	1.670	20	10		EDCDRM
CCN(CC)C(=O)CN1CCC(NC(=O)c2cccc(O)c2O)CC1	ZINC000848064342	595314006	/nfs/dbraw/zinc/31/40/06/595314006.db2.gz	SOKPMJGZNMCTBE-UHFFFAOYSA-N	-1	0	349.431	1.160	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)C2)cc1	ZINC000851651009	595868624	/nfs/dbraw/zinc/86/86/24/595868624.db2.gz	ICTCPIPBFKJRKE-BFHYXJOUSA-N	-1	0	347.415	1.826	20	10		EDCDRM
CO[C@H](CS(=O)(=O)[N-]N=c1[nH]c2cccnc2s1)C1CC1	ZINC000857225683	596190928	/nfs/dbraw/zinc/19/09/28/596190928.db2.gz	QAAGFMWLOSSBED-SNVBAGLBSA-N	-1	0	328.419	1.363	20	10		EDCDRM
O=S(=O)(C[C@H]1CCCOC1)[N-]N=c1[nH]c2cccnc2s1	ZINC000857224974	596191083	/nfs/dbraw/zinc/19/10/83/596191083.db2.gz	BWVFHCQRXJKKBY-VIFPVBQESA-N	-1	0	328.419	1.364	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CC[C@@]3(CCOC3)C2)cc1	ZINC000872953310	597138212	/nfs/dbraw/zinc/13/82/12/597138212.db2.gz	DDILOCMGVZVNTG-GOSISDBHSA-N	-1	0	348.399	1.225	20	10		EDCDRM
C[C@@H]1CS(=O)(=O)CCN1c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000322524869	600560364	/nfs/dbraw/zinc/56/03/64/600560364.db2.gz	NJOKXVOEYPLGII-RXNUUUNCSA-N	-1	0	340.357	1.316	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)CN2CCC[C@H](N(C)C(=O)[O-])C2)cc1	ZINC000739616339	601977287	/nfs/dbraw/zinc/97/72/87/601977287.db2.gz	AODZQGDZJAJJQD-INIZCTEOSA-N	-1	0	348.447	1.443	20	10		EDCDRM
O=C(CSc1n[n-]c(=S)s1)NCCc1ccc(O)c(O)c1	ZINC000271250376	443498347	/nfs/dbraw/zinc/49/83/47/443498347.db2.gz	RNANOXVXSUQSNR-UHFFFAOYSA-N	-1	0	343.455	1.689	20	10		EDCDRM
CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C)[C@H]2C(N)=O)c1O	ZINC000285206459	443894410	/nfs/dbraw/zinc/89/44/10/443894410.db2.gz	OKBQBDKJUAGTAJ-RNCFNFMXSA-N	-1	0	326.780	1.323	20	10		EDCDRM
C[C@H](C[S@@](C)=O)NC(=O)NCc1cccc(Br)c1O	ZINC000277283409	443951751	/nfs/dbraw/zinc/95/17/51/443951751.db2.gz	BADHCZUABYWGHV-LILOVNGRSA-N	-1	0	349.250	1.721	20	10		EDCDRM
CCONC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000748012917	579666752	/nfs/dbraw/zinc/66/67/52/579666752.db2.gz	PWRLGNLJXJVWDD-UHFFFAOYSA-N	-1	0	342.398	1.936	20	10		EDCDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000766047059	580157409	/nfs/dbraw/zinc/15/74/09/580157409.db2.gz	DGOXEVOLXMVAPP-UHFFFAOYSA-N	-1	0	333.325	1.932	20	10		EDCDRM
Cc1cnc(N)c(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1	ZINC000766895792	580176508	/nfs/dbraw/zinc/17/65/08/580176508.db2.gz	IDDHIJZENRVWFV-UHFFFAOYSA-N	-1	0	348.428	1.610	20	10		EDCDRM
CC(C)(NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-]	ZINC000780446089	580522649	/nfs/dbraw/zinc/52/26/49/580522649.db2.gz	ZQTNEAVECJIECZ-UHFFFAOYSA-N	-1	0	339.367	1.325	20	10		EDCDRM
Cn1cc(N2CCC[C@@H](NC(=O)c3c(F)ccc(O)c3O)C2)cn1	ZINC000790070562	580761436	/nfs/dbraw/zinc/76/14/36/580761436.db2.gz	DDNSZQPLMDXQEN-SNVBAGLBSA-N	-1	0	334.351	1.369	20	10		EDCDRM
O=C1CCN1c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000790350809	580767301	/nfs/dbraw/zinc/76/73/01/580767301.db2.gz	KFDKACHOBPUXKJ-UHFFFAOYSA-N	-1	0	344.352	1.760	20	10		EDCDRM
CNS(=O)(=O)C[C@@H]1CCCN1Cc1c([O-])ccc(Cl)c1F	ZINC000792169941	580812251	/nfs/dbraw/zinc/81/22/51/580812251.db2.gz	NPXRYKPLDRPAEE-VIFPVBQESA-N	-1	0	336.816	1.698	20	10		EDCDRM
C[C@H](NC(=O)N[C@H](C(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1	ZINC000797714909	580979518	/nfs/dbraw/zinc/97/95/18/580979518.db2.gz	NJGDXNOOICPRKO-LRDDRELGSA-N	-1	0	347.415	1.747	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1F	ZINC000797715233	580979547	/nfs/dbraw/zinc/97/95/47/580979547.db2.gz	LCQUHVYVBWHNNF-GWCFXTLKSA-N	-1	0	327.331	1.598	20	10		EDCDRM
COC[C@](C)(NC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-]	ZINC000797715802	580979586	/nfs/dbraw/zinc/97/95/86/580979586.db2.gz	USTDPPUVOKOSCU-HNNXBMFYSA-N	-1	0	327.356	1.181	20	10		EDCDRM
COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1	ZINC000797820380	580981763	/nfs/dbraw/zinc/98/17/63/580981763.db2.gz	VBJCWSBPXWYRLR-UHFFFAOYSA-N	-1	0	325.342	1.916	20	10		EDCDRM
NC(=O)c1cn(C2CC[NH+](Cc3cc(F)cc(F)c3[O-])CC2)nn1	ZINC000895392727	591742521	/nfs/dbraw/zinc/74/25/21/591742521.db2.gz	AFJKWVRHYGUFJU-UHFFFAOYSA-N	-1	0	337.330	1.198	20	10		EDCDRM
C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3c(F)ccc(O)c3O)O2)[C@H]1C	ZINC000899485991	591825682	/nfs/dbraw/zinc/82/56/82/591825682.db2.gz	XMUKHUMMANQJRV-IJZKUYQOSA-N	-1	0	339.363	1.939	20	10		EDCDRM
COCCN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	ZINC000900684043	592093647	/nfs/dbraw/zinc/09/36/47/592093647.db2.gz	HUZVYDZQRFQJGH-UHFFFAOYSA-N	-1	0	336.413	1.717	20	10		EDCDRM
CO[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@](C)(C(=O)[O-])C1	ZINC000908758483	592600817	/nfs/dbraw/zinc/60/08/17/592600817.db2.gz	LWVGBSOOAHMKEC-YOEHRIQHSA-N	-1	0	335.404	1.526	20	10		EDCDRM
Cn1cc([C@@H]2C[C@@H]2C(=O)N(CC(=O)[O-])Cc2ccccc2O)cn1	ZINC000911484738	592928384	/nfs/dbraw/zinc/92/83/84/592928384.db2.gz	GPYBWBAALNHRPB-KBPBESRZSA-N	-1	0	329.356	1.343	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)CCn1cccn1	ZINC000911360617	593005931	/nfs/dbraw/zinc/00/59/31/593005931.db2.gz	WPDQNRFXJGFYLA-UHFFFAOYSA-N	-1	0	337.763	1.746	20	10		EDCDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1	ZINC000912525591	593102863	/nfs/dbraw/zinc/10/28/63/593102863.db2.gz	BCHHYPVKNHNPEJ-UHFFFAOYSA-N	-1	0	331.737	1.356	20	10		EDCDRM
CSCCO[N-]C(=O)C(=O)NCc1ccc(N(C)C)cc1C	ZINC000807103403	593145277	/nfs/dbraw/zinc/14/52/77/593145277.db2.gz	PLEWKNXJSPDHLH-UHFFFAOYSA-N	-1	0	325.434	1.088	20	10		EDCDRM
C[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C(=O)[O-]	ZINC000818330093	593693277	/nfs/dbraw/zinc/69/32/77/593693277.db2.gz	MQVSIGHWLCMBGL-SUMWQHHRSA-N	-1	0	333.432	1.554	20	10		EDCDRM
CN(Cc1ccccc1O)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-]	ZINC000825980919	594296842	/nfs/dbraw/zinc/29/68/42/594296842.db2.gz	LZEKRXUZUHKKLK-UHFFFAOYSA-N	-1	0	327.304	1.512	20	10		EDCDRM
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C(=O)[O-]	ZINC000828362720	594401541	/nfs/dbraw/zinc/40/15/41/594401541.db2.gz	REJSBKLONDUNPL-XJKSGUPXSA-N	-1	0	329.400	1.925	20	10		EDCDRM
C[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)c1ccc(N(C)C)cc1	ZINC000831039361	594543411	/nfs/dbraw/zinc/54/34/11/594543411.db2.gz	UVUHVTLEZSKSIE-CYBMUJFWSA-N	-1	0	349.431	1.994	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC2)cc1	ZINC000829423353	594611271	/nfs/dbraw/zinc/61/12/71/594611271.db2.gz	DYNCNXIZHRJWDR-CQSZACIVSA-N	-1	0	349.431	1.980	20	10		EDCDRM
COc1ccc(N(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1F	ZINC000832378301	594746072	/nfs/dbraw/zinc/74/60/72/594746072.db2.gz	IYPJGKARROGYAO-CYBMUJFWSA-N	-1	0	326.368	1.886	20	10		EDCDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000840917267	594827192	/nfs/dbraw/zinc/82/71/92/594827192.db2.gz	JOIWDLPTMYKDJU-UHFFFAOYSA-N	-1	0	337.401	1.946	20	10		EDCDRM
CN(CC(=O)[N-]OCc1ccccc1)c1ccc(OCC(=O)[O-])cc1	ZINC000833691751	594907636	/nfs/dbraw/zinc/90/76/36/594907636.db2.gz	HKEIBAIZMAZNQA-UHFFFAOYSA-N	-1	0	344.367	1.834	20	10		EDCDRM
C[C@H](NC(=O)[O-])[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	ZINC000833815668	594936929	/nfs/dbraw/zinc/93/69/29/594936929.db2.gz	AXUKQJFDRCJJOG-XHDPSFHLSA-N	-1	0	325.384	1.749	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1	ZINC000843257107	595053929	/nfs/dbraw/zinc/05/39/29/595053929.db2.gz	LNLGONZNMIEKRN-UHFFFAOYSA-N	-1	0	347.415	1.082	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)N[C@H](CF)C(=O)[O-])cc1F	ZINC000837298120	595079907	/nfs/dbraw/zinc/07/99/07/595079907.db2.gz	JIOJMSMDFXFLQQ-GFCCVEGCSA-N	-1	0	329.347	1.894	20	10		EDCDRM
C[C@H](C(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000842570707	595129468	/nfs/dbraw/zinc/12/94/68/595129468.db2.gz	FTFJJCLLSIRERF-TUAOUCFPSA-N	-1	0	338.379	1.776	20	10		EDCDRM
Oc1cccc(Br)c1CNCc1nnc2n1CCOC2	ZINC000858160263	595716560	/nfs/dbraw/zinc/71/65/60/595716560.db2.gz	GJSKEIZMQHPHCO-UHFFFAOYSA-N	-1	0	339.193	1.566	20	10		EDCDRM
CCO[N-]C(=O)CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C	ZINC000858589468	595835381	/nfs/dbraw/zinc/83/53/81/595835381.db2.gz	MIADJMYJOVAPTB-UHFFFAOYSA-N	-1	0	344.415	1.961	20	10		EDCDRM
COCCS(=O)(=O)[N-]C(=O)c1sccc1-n1c(C)ccc1C	ZINC000111993447	595999921	/nfs/dbraw/zinc/99/99/21/595999921.db2.gz	FRJVORGRFSSMAK-UHFFFAOYSA-N	-1	0	342.442	1.862	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@]2(C)CCCOC2)cc1	ZINC000872986039	597151419	/nfs/dbraw/zinc/15/14/19/597151419.db2.gz	QIUQTIOGGAPBPG-QGZVFWFLSA-N	-1	0	336.388	1.272	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccc(C)o2)cc1	ZINC000872995310	597153633	/nfs/dbraw/zinc/15/36/33/597153633.db2.gz	RDBNZDXDTCKSES-UHFFFAOYSA-N	-1	0	332.356	1.804	20	10		EDCDRM
CCC[C@H](NC(=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000739315739	602334812	/nfs/dbraw/zinc/33/48/12/602334812.db2.gz	XYICNKBOWFNRLK-HNNXBMFYSA-N	-1	0	335.404	1.780	20	10		EDCDRM
COCCn1c(C)c(C)c2cc(C(=O)NCc3n[nH]c(=O)[n-]3)ccc21	ZINC000358956029	250149349	/nfs/dbraw/zinc/14/93/49/250149349.db2.gz	RKPHUHCAZFGOSQ-UHFFFAOYSA-N	-1	0	343.387	1.658	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@@H]2c2nc(C)no2)c1O	ZINC000370437496	446279588	/nfs/dbraw/zinc/27/95/88/446279588.db2.gz	XBUNZNBSPMEXHY-TZMCWYRMSA-N	-1	0	335.335	1.733	20	10		EDCDRM
CNC(=O)NC[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1	ZINC000529640158	448913285	/nfs/dbraw/zinc/91/32/85/448913285.db2.gz	BOIORGZDPPDXIL-VIFPVBQESA-N	-1	0	331.775	1.315	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](NC(=O)[O-])C2)cc1	ZINC000739711017	579239753	/nfs/dbraw/zinc/23/97/53/579239753.db2.gz	YJEQXXPNKSPPNG-AWEZNQCLSA-N	-1	0	334.420	1.053	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000739928727	579269185	/nfs/dbraw/zinc/26/91/85/579269185.db2.gz	BEEWXMOZCVCFQS-LLVKDONJSA-N	-1	0	337.376	1.590	20	10		EDCDRM
O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cncc(F)c1	ZINC000749155604	579714428	/nfs/dbraw/zinc/71/44/28/579714428.db2.gz	WXJDYRUUKIESFQ-UHFFFAOYSA-N	-1	0	337.376	1.858	20	10		EDCDRM
NC(=O)c1cccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753020689	579870725	/nfs/dbraw/zinc/87/07/25/579870725.db2.gz	UHZJWJJNRGPAQX-UHFFFAOYSA-N	-1	0	328.296	1.570	20	10		EDCDRM
NC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765037115	580133621	/nfs/dbraw/zinc/13/36/21/580133621.db2.gz	MZVBBPXSCOJBLN-UHFFFAOYSA-N	-1	0	333.329	1.514	20	10		EDCDRM
CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765038817	580133743	/nfs/dbraw/zinc/13/37/43/580133743.db2.gz	YKLFPRLEQIKSJX-UHFFFAOYSA-N	-1	0	347.356	1.775	20	10		EDCDRM
COC(=O)[C@H]1COCCN1Cc1cccc(Br)c1[O-]	ZINC000769398922	580235885	/nfs/dbraw/zinc/23/58/85/580235885.db2.gz	NQTKCRKRYQPYAT-LLVKDONJSA-N	-1	0	330.178	1.529	20	10		EDCDRM
C[C@@H](O)c1cn(C2CN(Cc3cc(Cl)cc(F)c3[O-])C2)nn1	ZINC000779614207	580491344	/nfs/dbraw/zinc/49/13/44/580491344.db2.gz	QKMGFRZEOSXXIW-MRVPVSSYSA-N	-1	0	326.759	1.886	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CCCn2c(=O)[n-][nH]c2=O)cc1	ZINC000905447836	592528297	/nfs/dbraw/zinc/52/82/97/592528297.db2.gz	HIRKIJCHTLOEJY-UHFFFAOYSA-N	-1	0	333.392	1.194	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000909042757	592712012	/nfs/dbraw/zinc/71/20/12/592712012.db2.gz	JGQYVOJEVGBQDN-MRXNPFEDSA-N	-1	0	337.445	1.821	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)C3(C(=O)[O-])CCOCC3)CC2)cc1	ZINC000911094351	592922151	/nfs/dbraw/zinc/92/21/51/592922151.db2.gz	RFZKPUFOAYSHEQ-UHFFFAOYSA-N	-1	0	348.399	1.225	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC000911492136	592930103	/nfs/dbraw/zinc/93/01/03/592930103.db2.gz	CDDJMIVQVYGXHJ-LSDHHAIUSA-N	-1	0	333.384	1.868	20	10		EDCDRM
COCC(=O)N(C)CC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807836522	593202653	/nfs/dbraw/zinc/20/26/53/593202653.db2.gz	ZESVONYAZRFZMZ-UHFFFAOYSA-N	-1	0	335.187	1.420	20	10		EDCDRM
O=S1(=O)CCN(Cc2c(O)cccc2Cl)[C@@H]2CCOC[C@@H]21	ZINC000839186710	593272223	/nfs/dbraw/zinc/27/22/23/593272223.db2.gz	OBCKLMOUKBNOHG-OCCSQVGLSA-N	-1	0	331.821	1.434	20	10		EDCDRM
C[C@H](NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000817113304	593571718	/nfs/dbraw/zinc/57/17/18/593571718.db2.gz	AXRGNZGYTDOPEJ-KPZWWZAWSA-N	-1	0	347.415	1.253	20	10		EDCDRM
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000817896789	593646680	/nfs/dbraw/zinc/64/66/80/593646680.db2.gz	TZBOFPWJSDRTMW-LBPRGKRZSA-N	-1	0	334.372	1.064	20	10		EDCDRM
O=C([O-])[C@H]1CN(C(=O)NCCCSc2nccs2)CCO1	ZINC000819310680	593749975	/nfs/dbraw/zinc/74/99/75/593749975.db2.gz	ROJGQSFWIUCVIA-SECBINFHSA-N	-1	0	331.419	1.120	20	10		EDCDRM
O=C([O-])CN(C(=O)/C=C/c1cccnc1)c1ccc2c(c1)OCO2	ZINC000819507483	593757285	/nfs/dbraw/zinc/75/72/85/593757285.db2.gz	FXKBKGYXQYOBOD-ZZXKWVIFSA-N	-1	0	326.308	1.941	20	10		EDCDRM
Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)NCC(=O)[O-]	ZINC000821075880	593959987	/nfs/dbraw/zinc/95/99/87/593959987.db2.gz	KLRJNJHRUDVGOO-UHFFFAOYSA-N	-1	0	336.369	1.513	20	10		EDCDRM
CS[C@@H](C)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000829704539	594244270	/nfs/dbraw/zinc/24/42/70/594244270.db2.gz	RSGBHCSMRYLLHV-GWCFXTLKSA-N	-1	0	325.434	1.929	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccc(C=O)[nH]2)NC(=O)[O-])cc1	ZINC000828063346	594333216	/nfs/dbraw/zinc/33/32/16/594333216.db2.gz	CXYVGBIGHHNUQZ-HNNXBMFYSA-N	-1	0	344.371	1.632	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cncs2)NC(=O)[O-])cc1	ZINC000828064132	594333632	/nfs/dbraw/zinc/33/36/32/594333632.db2.gz	LWZITAFRULTDQD-GFCCVEGCSA-N	-1	0	334.401	1.948	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2cccn2C)NC(=O)[O-])cc1	ZINC000828064345	594333663	/nfs/dbraw/zinc/33/36/63/594333663.db2.gz	PRCDOECWEPUFQY-AWEZNQCLSA-N	-1	0	330.388	1.830	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000828067019	594334145	/nfs/dbraw/zinc/33/41/45/594334145.db2.gz	CUMHZQCWPXZBJP-OAHLLOKOSA-N	-1	0	335.404	1.528	20	10		EDCDRM
COC(=O)/C=C\c1ccc(N2CC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000828649145	594472397	/nfs/dbraw/zinc/47/23/97/594472397.db2.gz	XTLQIKUXQDSANE-RNZFLTOJSA-N	-1	0	349.343	1.970	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)cc1	ZINC000829424110	594611211	/nfs/dbraw/zinc/61/12/11/594611211.db2.gz	MGGWAIPYJGLLEV-UHFFFAOYSA-N	-1	0	348.403	1.279	20	10		EDCDRM
O=C([O-])/C=C/c1ccc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1	ZINC000833196310	594803804	/nfs/dbraw/zinc/80/38/04/594803804.db2.gz	QRFSRKGKCLGQNG-DZTBXEGKSA-N	-1	0	345.355	1.940	20	10		EDCDRM
CC(C)[C@H]1C(=O)NCCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833470731	594854012	/nfs/dbraw/zinc/85/40/12/594854012.db2.gz	LEIFNEGVCNOJNQ-VOKGJARPSA-N	-1	0	333.344	1.653	20	10		EDCDRM
C[C@H](NC(=O)N[C@@H](CF)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000837296250	595079209	/nfs/dbraw/zinc/07/92/09/595079209.db2.gz	OOCYPYZFCFBEAO-FZMZJTMJSA-N	-1	0	339.367	1.306	20	10		EDCDRM
O=C([O-])C1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1	ZINC000837302223	595080929	/nfs/dbraw/zinc/08/09/29/595080929.db2.gz	UMFGPVTUIMWEOL-UHFFFAOYSA-N	-1	0	336.363	1.533	20	10		EDCDRM
CCC[C@@H](C(=O)OCC)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000844656135	595368938	/nfs/dbraw/zinc/36/89/38/595368938.db2.gz	FSNMZCKSIHTAAV-LBPRGKRZSA-N	-1	0	345.373	1.564	20	10		EDCDRM
C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-]	ZINC000848576459	595406815	/nfs/dbraw/zinc/40/68/15/595406815.db2.gz	QMHCNTGYEHECBS-GFCCVEGCSA-N	-1	0	337.445	1.760	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H](C)C(=O)[O-])C2)cc1	ZINC000848583462	595409360	/nfs/dbraw/zinc/40/93/60/595409360.db2.gz	RDRNIBGIKHIXAD-OLZOCXBDSA-N	-1	0	335.404	1.541	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)[C@H](C(=O)[O-])C3CC3)C2)cc1	ZINC000852944558	595623003	/nfs/dbraw/zinc/62/30/03/595623003.db2.gz	IOWDEOKIGLKWJH-MLGOLLRUSA-N	-1	0	332.400	1.749	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(C(=O)[O-])CC=CC1	ZINC000852949314	595625070	/nfs/dbraw/zinc/62/50/70/595625070.db2.gz	FFEBTAKNNAHFKS-UHFFFAOYSA-N	-1	0	344.411	1.903	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)CSc3n[nH]c(=O)[n-]3)C2)cc1	ZINC000855228152	595635872	/nfs/dbraw/zinc/63/58/72/595635872.db2.gz	WINUUWVWYBLOBG-SNVBAGLBSA-N	-1	0	349.416	1.006	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@]2(C)CC2(F)F)cc1	ZINC000853011735	595641565	/nfs/dbraw/zinc/64/15/65/595641565.db2.gz	ZWCSJCPCOFGNFE-OAHLLOKOSA-N	-1	0	342.342	1.748	20	10		EDCDRM
O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ncc[n-]1	ZINC000866533558	596242971	/nfs/dbraw/zinc/24/29/71/596242971.db2.gz	SACRUSZHQDISSK-UHFFFAOYSA-N	-1	0	338.458	1.441	20	10		EDCDRM
CCn1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cn1	ZINC000207387583	596815817	/nfs/dbraw/zinc/81/58/17/596815817.db2.gz	PBDZBYAMDZQOPK-UXBLZVDNSA-N	-1	0	325.415	1.969	20	10		EDCDRM
C[C@H](CCNC(=O)NCc1ccc(N(C)C)c(F)c1)NC(=O)[O-]	ZINC000738898874	602559767	/nfs/dbraw/zinc/55/97/67/602559767.db2.gz	BNTJOQHKHCPSKS-SNVBAGLBSA-N	-1	0	326.372	1.737	20	10		EDCDRM
Cc1nnccc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000833927111	605985096	/nfs/dbraw/zinc/98/50/96/605985096.db2.gz	KLBZZVWCTFQRKU-HNNXBMFYSA-N	-1	0	343.387	1.590	20	10		EDCDRM
COC(=O)C1(CS(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])CCC1	ZINC000290905862	443707465	/nfs/dbraw/zinc/70/74/65/443707465.db2.gz	FQVBBYYMIUGGFR-UHFFFAOYSA-N	-1	0	343.357	1.175	20	10		EDCDRM
CC(C)OCc1cc([N-]S(=O)(=O)c2cnn(C)c2)ccc1O	ZINC000290602590	444300177	/nfs/dbraw/zinc/30/01/77/444300177.db2.gz	ZFKFMDCVUMCHQS-UHFFFAOYSA-N	-1	0	325.390	1.852	20	10		EDCDRM
CCN(CCS(C)(=O)=O)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093815988	528582117	/nfs/dbraw/zinc/58/21/17/528582117.db2.gz	CCPZHHHJHMTURV-UHFFFAOYSA-N	-1	0	336.797	1.820	20	10		EDCDRM
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000740446389	579348014	/nfs/dbraw/zinc/34/80/14/579348014.db2.gz	FELWKPGVUKESIS-CABCVRRESA-N	-1	0	333.388	1.016	20	10		EDCDRM
O=C([O-])NCCOCC(=O)NCc1ccc(N2CCCCC2)cc1	ZINC000740664864	579375931	/nfs/dbraw/zinc/37/59/31/579375931.db2.gz	NTHAIMKGUADRCH-UHFFFAOYSA-N	-1	0	335.404	1.577	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC2)cc1	ZINC000738021099	579150845	/nfs/dbraw/zinc/15/08/45/579150845.db2.gz	HHTJKGNQVPFYJY-HNNXBMFYSA-N	-1	0	335.404	1.636	20	10		EDCDRM
CCCNC(=O)NC(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739363082	579196735	/nfs/dbraw/zinc/19/67/35/579196735.db2.gz	RBBUUPUOHWKXNY-UHFFFAOYSA-N	-1	0	348.403	1.443	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)[C@H]2CSCN2C(=O)[O-])cc1F	ZINC000739618389	579226999	/nfs/dbraw/zinc/22/69/99/579226999.db2.gz	LYAPNUPYPBPEKC-GFCCVEGCSA-N	-1	0	327.381	1.561	20	10		EDCDRM
COCCn1c(C)c(C)c2cc(C(=O)NC3CN(C(=O)[O-])C3)ccc21	ZINC000739839627	579257934	/nfs/dbraw/zinc/25/79/34/579257934.db2.gz	KNUSJKIAMQPBIU-UHFFFAOYSA-N	-1	0	345.399	1.997	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])CC2)cc1	ZINC000739911180	579266743	/nfs/dbraw/zinc/26/67/43/579266743.db2.gz	YEPGFZPSZUZTPJ-CVEARBPZSA-N	-1	0	347.415	1.780	20	10		EDCDRM
O=C([O-])c1cc(O)ccc1NS(=O)(=O)C1Cc2ccccc2C1	ZINC000776434834	580417214	/nfs/dbraw/zinc/41/72/14/580417214.db2.gz	NVFJIOQFNOSQFQ-UHFFFAOYSA-N	-1	0	333.365	2.000	20	10		EDCDRM
CCN(CC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000780445832	580522658	/nfs/dbraw/zinc/52/26/58/580522658.db2.gz	SZWXIQLYSRLLLU-UHFFFAOYSA-N	-1	0	339.367	1.278	20	10		EDCDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cnc1C	ZINC000793413357	580843628	/nfs/dbraw/zinc/84/36/28/580843628.db2.gz	YAYGJHRKIPLHPO-UHFFFAOYSA-N	-1	0	336.369	1.991	20	10		EDCDRM
COC(=O)[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])[C@@H](C(=O)OC)C1	ZINC000894430458	591310263	/nfs/dbraw/zinc/31/02/63/591310263.db2.gz	GFJKXULMHHILHN-NOZJJQNGSA-N	-1	0	343.326	1.597	20	10		EDCDRM
CC(=O)NCC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](C)C(=O)[O-]	ZINC000840997102	591379002	/nfs/dbraw/zinc/37/90/02/591379002.db2.gz	TXHOBUGFPUISGN-MRVPVSSYSA-N	-1	0	332.759	1.596	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC000901917078	591859711	/nfs/dbraw/zinc/85/97/11/591859711.db2.gz	GDVUHVMRFCEFTP-OCCSQVGLSA-N	-1	0	348.399	1.748	20	10		EDCDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000901933736	591868926	/nfs/dbraw/zinc/86/89/26/591868926.db2.gz	DSOCYNBIUYMFPK-UHFFFAOYSA-N	-1	0	328.372	1.649	20	10		EDCDRM
CN(Cc1cn(C[C@H]2CCCO2)nn1)c1ccc(OCC(=O)[O-])cc1	ZINC000902014656	591897622	/nfs/dbraw/zinc/89/76/22/591897622.db2.gz	FGQYLHUCAFGYMB-MRXNPFEDSA-N	-1	0	346.387	1.557	20	10		EDCDRM
COC1(C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C(=O)[O-])CCC1	ZINC000908758594	592601555	/nfs/dbraw/zinc/60/15/55/592601555.db2.gz	NZWWFCSUZQDIJK-OAHLLOKOSA-N	-1	0	349.431	1.964	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])cc1	ZINC000908758907	592601569	/nfs/dbraw/zinc/60/15/69/592601569.db2.gz	SOVRCRYQNMXWQU-INIZCTEOSA-N	-1	0	349.431	1.822	20	10		EDCDRM
CC[C@@H](NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)[O-]	ZINC000909132635	592737992	/nfs/dbraw/zinc/73/79/92/592737992.db2.gz	VYQWNKHDELSOIN-IUODEOHRSA-N	-1	0	335.404	1.684	20	10		EDCDRM
Cc1cc(C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000910321892	592840616	/nfs/dbraw/zinc/84/06/16/592840616.db2.gz	AJQLAMZWJVRLBN-GOSISDBHSA-N	-1	0	343.383	1.805	20	10		EDCDRM
C[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000757640154	593384349	/nfs/dbraw/zinc/38/43/49/593384349.db2.gz	VYFWPSHQNAYPES-SNVBAGLBSA-N	-1	0	333.348	1.758	20	10		EDCDRM
CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-]	ZINC000806662256	593462894	/nfs/dbraw/zinc/46/28/94/593462894.db2.gz	BCSRQSLKDJORBF-GWCFXTLKSA-N	-1	0	340.445	1.697	20	10		EDCDRM
COC(=O)c1cn(C2CN(Cc3cc(Cl)c(F)cc3[O-])C2)nn1	ZINC000816565229	593531942	/nfs/dbraw/zinc/53/19/42/593531942.db2.gz	GXKXWKGFFPJSOP-UHFFFAOYSA-N	-1	0	340.742	1.620	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCC(=O)[O-])cc1	ZINC000817108625	593570856	/nfs/dbraw/zinc/57/08/56/593570856.db2.gz	LOAXGQKAMMAWMV-UHFFFAOYSA-N	-1	0	335.404	1.082	20	10		EDCDRM
C[C@@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000817113313	593571663	/nfs/dbraw/zinc/57/16/63/593571663.db2.gz	AXRGNZGYTDOPEJ-XIKOKIGWSA-N	-1	0	347.415	1.253	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000830073168	594330943	/nfs/dbraw/zinc/33/09/43/594330943.db2.gz	OFHDXHMDSTVCNP-INIZCTEOSA-N	-1	0	349.431	1.836	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cc1F	ZINC000828066979	594333910	/nfs/dbraw/zinc/33/39/10/594333910.db2.gz	AZYQJSXQMJLSQL-LBPRGKRZSA-N	-1	0	339.367	1.277	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)C3(NC(=O)[O-])CC3)CC2)cc1	ZINC000829423175	594611259	/nfs/dbraw/zinc/61/12/59/594611259.db2.gz	COJUTWLYAPNPJE-UHFFFAOYSA-N	-1	0	333.388	1.534	20	10		EDCDRM
CN(CC(=O)NCc1ccccc1)c1ccc(OCC(=O)[O-])cc1	ZINC000833692130	594907986	/nfs/dbraw/zinc/90/79/86/594907986.db2.gz	MBWQWGRQEVKNMQ-UHFFFAOYSA-N	-1	0	328.368	1.903	20	10		EDCDRM
COc1ccc(O)c(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)c1	ZINC000833734004	594918401	/nfs/dbraw/zinc/91/84/01/594918401.db2.gz	YQMLIDAZIHBBIN-UHFFFAOYSA-N	-1	0	327.314	1.171	20	10		EDCDRM
CCC1CCN(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])CC1	ZINC000849218320	595494204	/nfs/dbraw/zinc/49/42/04/595494204.db2.gz	UKSBUCBEKRIUNQ-UHFFFAOYSA-N	-1	0	328.390	1.869	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccnc(C)n2)cc1	ZINC000853003833	595639406	/nfs/dbraw/zinc/63/94/06/595639406.db2.gz	DDMAOMMPPQYSGR-UHFFFAOYSA-N	-1	0	344.371	1.001	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC[C@H]2CCOC2)cc1	ZINC000853006492	595640035	/nfs/dbraw/zinc/64/00/35/595640035.db2.gz	HADZZGZTBKMKTL-ZDUSSCGKSA-N	-1	0	336.388	1.129	20	10		EDCDRM
Cn1nccc1C(NCc1cc([N+](=O)[O-])ccc1[O-])c1ccnn1C	ZINC000858322362	595764157	/nfs/dbraw/zinc/76/41/57/595764157.db2.gz	XBMZHJLHOGPFIU-UHFFFAOYSA-N	-1	0	342.359	1.647	20	10		EDCDRM
O=C([O-])CCCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000851651449	595868586	/nfs/dbraw/zinc/86/85/86/595868586.db2.gz	KEFDXHWLDOPRCO-UHFFFAOYSA-N	-1	0	349.431	1.702	20	10		EDCDRM
COc1ccc(N(C)CCN(C)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1	ZINC000874416601	597068627	/nfs/dbraw/zinc/06/86/27/597068627.db2.gz	SNYXQZSKYFXLBO-BETUJISGSA-N	-1	0	335.404	1.636	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)C2)cc1	ZINC000872877449	597107316	/nfs/dbraw/zinc/10/73/16/597107316.db2.gz	IJIIRJNXCMXXCY-NILFDRSVSA-N	-1	0	332.400	1.747	20	10		EDCDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	ZINC000739202432	603108411	/nfs/dbraw/zinc/10/84/11/603108411.db2.gz	OACWAAFJLQMHCK-RISCZKNCSA-N	-1	0	335.404	1.872	20	10		EDCDRM
COCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C)C(N)=O	ZINC000093137825	441859227	/nfs/dbraw/zinc/85/92/27/441859227.db2.gz	BPKNGPKOYDLZTA-QMMMGPOBSA-N	-1	0	331.756	1.276	20	10		EDCDRM
CCCOc1ccc(CN2CCCN(CCOC)C(=O)C2)c(O)c1	ZINC000191700264	442492033	/nfs/dbraw/zinc/49/20/33/442492033.db2.gz	OBIJIEFHNBVQLA-UHFFFAOYSA-N	-1	0	336.432	1.862	20	10		EDCDRM
CCN(CC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-]	ZINC000739393865	579200092	/nfs/dbraw/zinc/20/00/92/579200092.db2.gz	HLXDEKRWUVXEQW-UHFFFAOYSA-N	-1	0	337.445	1.856	20	10		EDCDRM
O=C([O-])NCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000739938203	579270864	/nfs/dbraw/zinc/27/08/64/579270864.db2.gz	OLKZUWDURQDRLF-UHFFFAOYSA-N	-1	0	335.404	1.169	20	10		EDCDRM
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCc1ccccc1O	ZINC000769363012	580234639	/nfs/dbraw/zinc/23/46/39/580234639.db2.gz	DTNALNZHHKZXOK-UHFFFAOYSA-N	-1	0	338.360	1.833	20	10		EDCDRM
CCOC(=O)c1nn(C)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O	ZINC000792884591	580830161	/nfs/dbraw/zinc/83/01/61/580830161.db2.gz	PORHJRUJRJJICA-UKTHLTGXSA-N	-1	0	340.339	1.058	20	10		EDCDRM
COCCN1CN(Cc2cc(Br)cc(F)c2[O-])CC1=O	ZINC000894679401	591385831	/nfs/dbraw/zinc/38/58/31/591385831.db2.gz	MZPMYIGQVZBWMP-UHFFFAOYSA-N	-1	0	347.184	1.542	20	10		EDCDRM
C[N@@H+]1CCN(Cc2cc(Br)cc(F)c2[O-])[C@@H](CO)C1	ZINC000895358833	591726725	/nfs/dbraw/zinc/72/67/25/591726725.db2.gz	DLICFEPVUQIAPW-LLVKDONJSA-N	-1	0	333.201	1.402	20	10		EDCDRM
O=C([O-])[C@@H]1CSCCN1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000908846636	592640568	/nfs/dbraw/zinc/64/05/68/592640568.db2.gz	BJZYXHPPXBMVDP-HNNXBMFYSA-N	-1	0	349.456	1.998	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)c3csc(C(=O)[O-])n3)CC2)cc1	ZINC000911094196	592922028	/nfs/dbraw/zinc/92/20/28/592922028.db2.gz	LAEWYJFEIBWVTN-UHFFFAOYSA-N	-1	0	347.396	1.812	20	10		EDCDRM
Cc1ccn([C@H](C)CC(=O)N(CC(=O)[O-])Cc2ccccc2O)n1	ZINC000911488674	592929107	/nfs/dbraw/zinc/92/91/07/592929107.db2.gz	MDVVJVUPGUBTEH-CYBMUJFWSA-N	-1	0	331.372	1.962	20	10		EDCDRM
Cn1ncc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000806001050	593176240	/nfs/dbraw/zinc/17/62/40/593176240.db2.gz	MBCKWPTWPHAZSB-UHFFFAOYSA-N	-1	0	330.175	1.827	20	10		EDCDRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(O)cc2C)s1	ZINC000808092894	593221813	/nfs/dbraw/zinc/22/18/13/593221813.db2.gz	BIASIUZTBJSHQE-UHFFFAOYSA-N	-1	0	327.387	1.916	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(=O)n(C)[n-]1	ZINC000819973763	593780380	/nfs/dbraw/zinc/78/03/80/593780380.db2.gz	CRVOWLUYXWUTLU-UHFFFAOYSA-N	-1	0	330.388	1.235	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)CC[C@@H]2CCOC2)NC(=O)[O-])cc1	ZINC000828064704	594333702	/nfs/dbraw/zinc/33/37/02/594333702.db2.gz	WPOKTADQKVXJKS-CJNGLKHVSA-N	-1	0	349.431	1.994	20	10		EDCDRM
Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1-c1nn[nH]n1	ZINC000826303831	594416647	/nfs/dbraw/zinc/41/66/47/594416647.db2.gz	HMVYCBPRLGFAMU-UHFFFAOYSA-N	-1	0	331.357	1.682	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000831021899	594540154	/nfs/dbraw/zinc/54/01/54/594540154.db2.gz	MVUJIJLGOBBPKE-UHFFFAOYSA-N	-1	0	349.431	1.742	20	10		EDCDRM
Cn1[n-]c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1=O	ZINC000829264483	594589740	/nfs/dbraw/zinc/58/97/40/594589740.db2.gz	RGBRNSWPGNFMID-UHFFFAOYSA-N	-1	0	348.378	1.156	20	10		EDCDRM
COc1cccc(CNC(=O)C[C@H]2CSCCN2C(=O)[O-])c1O	ZINC000829561187	594640908	/nfs/dbraw/zinc/64/09/08/594640908.db2.gz	ZUYQWRUQDCLXJB-NSHDSACASA-N	-1	0	340.401	1.503	20	10		EDCDRM
COc1cc(O)c(CN2CCO[C@H]([C@H](C)NC(=O)[O-])C2)cc1OC	ZINC000833887200	594958651	/nfs/dbraw/zinc/95/86/51/594958651.db2.gz	CHEIZASSWVOTSJ-BONVTDFDSA-N	-1	0	340.376	1.266	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)N[C@@H](CF)C(=O)[O-])cc1F	ZINC000837298121	595079738	/nfs/dbraw/zinc/07/97/38/595079738.db2.gz	JIOJMSMDFXFLQQ-LBPRGKRZSA-N	-1	0	329.347	1.894	20	10		EDCDRM
CC(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000843339029	595079796	/nfs/dbraw/zinc/07/97/96/595079796.db2.gz	NDJBLSYZOLOBEF-OAHLLOKOSA-N	-1	0	338.379	1.635	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C[C@H](OC)C(C)C	ZINC000842590343	595134413	/nfs/dbraw/zinc/13/44/13/595134413.db2.gz	XSSJCRCJSGUYFF-ZDUSSCGKSA-N	-1	0	331.390	1.592	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H](C)C(=O)[O-])C2)cc1	ZINC000848583464	595409639	/nfs/dbraw/zinc/40/96/39/595409639.db2.gz	RDRNIBGIKHIXAD-STQMWFEESA-N	-1	0	335.404	1.541	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@]3(C(=O)[O-])CC3(C)C)CC2)cc1	ZINC000852942265	595621547	/nfs/dbraw/zinc/62/15/47/595621547.db2.gz	HIZXTTAZESSAPB-SFHVURJKSA-N	-1	0	332.400	1.845	20	10		EDCDRM
CO[C@](C)(C(=O)[O-])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852950514	595624865	/nfs/dbraw/zinc/62/48/65/595624865.db2.gz	IRVBEAPIQVAGKK-SJCJKPOMSA-N	-1	0	336.388	1.190	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)C2)cc1	ZINC000852954467	595627622	/nfs/dbraw/zinc/62/76/22/595627622.db2.gz	IHGCUDICCQNJSP-RDBSUJKOSA-N	-1	0	332.400	1.891	20	10		EDCDRM
O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000854476022	596092916	/nfs/dbraw/zinc/09/29/16/596092916.db2.gz	ZMSVHHMXJFZNCA-VIFPVBQESA-N	-1	0	346.170	1.303	20	10		EDCDRM
COc1cc(N(C)Cc2cn(C)nc2C(=O)[O-])cc(OC)c1OC	ZINC000864786138	596353633	/nfs/dbraw/zinc/35/36/33/596353633.db2.gz	OJIFGXJJNSRLCJ-UHFFFAOYSA-N	-1	0	335.360	1.781	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)CCCc3nnn[n-]3)CC2)cc1	ZINC000874279391	596997275	/nfs/dbraw/zinc/99/72/75/596997275.db2.gz	YEIMQMHPYHPTKS-UHFFFAOYSA-N	-1	0	344.419	1.316	20	10		EDCDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000738931277	602623960	/nfs/dbraw/zinc/62/39/60/602623960.db2.gz	OZQXSLXKYUSDID-SNVBAGLBSA-N	-1	0	326.372	1.689	20	10		EDCDRM
COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)c1O	ZINC000284398146	443774038	/nfs/dbraw/zinc/77/40/38/443774038.db2.gz	POTDRJAJDQQVIS-KBPBESRZSA-N	-1	0	326.824	1.959	20	10		EDCDRM
CS(=O)(=O)C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000292880111	443868380	/nfs/dbraw/zinc/86/83/80/443868380.db2.gz	XNQRIKBHAGEPGK-VIFPVBQESA-N	-1	0	348.808	1.820	20	10		EDCDRM
COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(Cl)c(F)cc1[O-]	ZINC000294936107	444160956	/nfs/dbraw/zinc/16/09/56/444160956.db2.gz	PCUKEBIKRRDTRA-NSHDSACASA-N	-1	0	330.743	1.048	20	10		EDCDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cn(C)c(C)n2)ccc1O	ZINC000295272015	444174132	/nfs/dbraw/zinc/17/41/32/444174132.db2.gz	ZHDVBMIJSJUVJU-UHFFFAOYSA-N	-1	0	339.373	1.412	20	10		EDCDRM
O=C([O-])N1CCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000740451228	579349043	/nfs/dbraw/zinc/34/90/43/579349043.db2.gz	QAFDWGIHXCWDTP-INIZCTEOSA-N	-1	0	347.415	1.672	20	10		EDCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CC(=O)NC[C@@H]1CCCO1	ZINC000740674987	579376819	/nfs/dbraw/zinc/37/68/19/579376819.db2.gz	XQALQKBPNKIHIE-HNNXBMFYSA-N	-1	0	347.415	1.502	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)N[C@H](CNC(=O)[O-])C2CC2)cc1	ZINC000739711168	579239748	/nfs/dbraw/zinc/23/97/48/579239748.db2.gz	ZDBMPUCJSMBMTE-OAHLLOKOSA-N	-1	0	334.420	1.940	20	10		EDCDRM
COCCN(CC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(=O)[O-]	ZINC000739822955	579255510	/nfs/dbraw/zinc/25/55/10/579255510.db2.gz	PCFPPNUFDOPLNP-JTQLQIEISA-N	-1	0	326.349	1.204	20	10		EDCDRM
CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc2nonc21	ZINC000776647645	580425323	/nfs/dbraw/zinc/42/53/23/580425323.db2.gz	LBPOQSZCDDWHEC-UHFFFAOYSA-N	-1	0	333.325	1.746	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000795346627	580919619	/nfs/dbraw/zinc/91/96/19/580919619.db2.gz	BJSPNWNKYGHCGQ-JTQLQIEISA-N	-1	0	329.374	1.347	20	10		EDCDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(Cl)cnn1C	ZINC000797432121	580975595	/nfs/dbraw/zinc/97/55/95/580975595.db2.gz	MYRWCBNKBFCOGE-UHFFFAOYSA-N	-1	0	329.765	1.783	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)c3cc(C(=O)[O-])nn3C)C2)cc1	ZINC000902046224	591902965	/nfs/dbraw/zinc/90/29/65/591902965.db2.gz	LLXOFXOATWDNHS-NSHDSACASA-N	-1	0	344.371	1.136	20	10		EDCDRM
Cn1ncc(C(=O)[O-])c1C(=O)NCCCSc1nccs1	ZINC000901719285	592443058	/nfs/dbraw/zinc/44/30/58/592443058.db2.gz	BDRWDSHRLPCEST-UHFFFAOYSA-N	-1	0	326.403	1.487	20	10		EDCDRM
CCN(Cc1cc(Br)ccc1O)C(=O)CCC(N)=O	ZINC000906993583	592465592	/nfs/dbraw/zinc/46/55/92/592465592.db2.gz	JAQWCXKXIFSVDP-UHFFFAOYSA-N	-1	0	329.194	1.769	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)CC1(O)CCC1	ZINC000911360203	593005842	/nfs/dbraw/zinc/00/58/42/593005842.db2.gz	OPKNZKPKEDLHAG-UHFFFAOYSA-N	-1	0	327.764	1.764	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000808103951	593223124	/nfs/dbraw/zinc/22/31/24/593223124.db2.gz	FMJUSABGAIPHFU-UHFFFAOYSA-N	-1	0	325.346	1.022	20	10		EDCDRM
O=C([O-])c1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1O	ZINC000809154698	593320922	/nfs/dbraw/zinc/32/09/22/593320922.db2.gz	BVZMCRQNUFDOGW-WQLSENKSSA-N	-1	0	334.353	1.393	20	10		EDCDRM
CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1O	ZINC000825946525	594288307	/nfs/dbraw/zinc/28/83/07/594288307.db2.gz	CNUBLTATQSLBJX-LBPRGKRZSA-N	-1	0	340.763	1.023	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)C[C@H]2COC(=O)C2)NC(=O)[O-])cc1	ZINC000828064847	594333519	/nfs/dbraw/zinc/33/35/19/594333519.db2.gz	ZWHTULRWWRUKIN-RISCZKNCSA-N	-1	0	349.387	1.131	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2cc[nH]c(=O)c2)NC(=O)[O-])cc1	ZINC000828064712	594333757	/nfs/dbraw/zinc/33/37/57/594333757.db2.gz	WQRHXCQUMBCDCU-CQSZACIVSA-N	-1	0	344.371	1.592	20	10		EDCDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)NCc1ccccc1O	ZINC000826125055	594337988	/nfs/dbraw/zinc/33/79/88/594337988.db2.gz	FTUIRURSCASOLY-CMPLNLGQSA-N	-1	0	337.376	1.695	20	10		EDCDRM
O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1ccccc1-c1nn[nH]n1	ZINC000826482368	594496131	/nfs/dbraw/zinc/49/61/31/594496131.db2.gz	BWEVYIADAHRBRH-GXDHUFHOSA-N	-1	0	332.323	1.328	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000827052256	594631062	/nfs/dbraw/zinc/63/10/62/594631062.db2.gz	PEEBQXXDBNNCDO-HUUCEWRRSA-N	-1	0	335.404	1.262	20	10		EDCDRM
CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)C[C@H]21	ZINC000827390581	594667939	/nfs/dbraw/zinc/66/79/39/594667939.db2.gz	XRGIUYYUSZFWRN-BIMULSAOSA-N	-1	0	349.811	1.429	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1O	ZINC000833400847	594840996	/nfs/dbraw/zinc/84/09/96/594840996.db2.gz	OPKGVILFUXGQJX-HNNXBMFYSA-N	-1	0	325.336	1.391	20	10		EDCDRM
COc1ccc(O)c(CNS(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000833733480	594918306	/nfs/dbraw/zinc/91/83/06/594918306.db2.gz	INUXLMGRUDGQQU-UHFFFAOYSA-N	-1	0	343.382	1.639	20	10		EDCDRM
COc1cc([N+](=O)[O-])c(N2CCC(O)(C(=O)[O-])CC2)cc1OC	ZINC000844219674	595305333	/nfs/dbraw/zinc/30/53/33/595305333.db2.gz	XEUWSKABMWQXII-UHFFFAOYSA-N	-1	0	326.305	1.028	20	10		EDCDRM
CN(C)c1ncc(CNC(=O)NCc2cc(Cl)ccc2O)n1C	ZINC000845025616	595428418	/nfs/dbraw/zinc/42/84/18/595428418.db2.gz	MFKFDIGTRNUUPZ-UHFFFAOYSA-N	-1	0	337.811	1.845	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)cc1	ZINC000852942687	595621575	/nfs/dbraw/zinc/62/15/75/595621575.db2.gz	LVEIWUZUYLDOCA-UHFFFAOYSA-N	-1	0	330.384	1.765	20	10		EDCDRM
COCC(C)(C)CNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000853008302	595640107	/nfs/dbraw/zinc/64/01/07/595640107.db2.gz	NTUSGLFILYRNCM-UHFFFAOYSA-N	-1	0	338.404	1.375	20	10		EDCDRM
CO[C@@H](CS(=O)(=O)[N-]N=c1[nH]c2ccncc2s1)C(C)C	ZINC000872385290	596896681	/nfs/dbraw/zinc/89/66/81/596896681.db2.gz	VLLBWDOTRRGAOD-JTQLQIEISA-N	-1	0	330.435	1.609	20	10		EDCDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	ZINC000874391124	597054959	/nfs/dbraw/zinc/05/49/59/597054959.db2.gz	MBLCVPYSCANPDL-SFHVURJKSA-N	-1	0	349.431	1.694	20	10		EDCDRM
CNS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000092067854	441767385	/nfs/dbraw/zinc/76/73/85/441767385.db2.gz	LAVCFYROHKOLJS-SNVBAGLBSA-N	-1	0	349.796	1.077	20	10		EDCDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cn(C)nc2C)ccc1O	ZINC000295166202	444168040	/nfs/dbraw/zinc/16/80/40/444168040.db2.gz	FNFRUQIMOSFEMC-UHFFFAOYSA-N	-1	0	339.373	1.412	20	10		EDCDRM
Cn1cc(/C=C\C(=O)N2CCN(C(=O)[O-])Cc3ccccc32)cn1	ZINC000740287752	579327296	/nfs/dbraw/zinc/32/72/96/579327296.db2.gz	QXUTXJLRLKRAHX-SREVYHEPSA-N	-1	0	326.356	1.960	20	10		EDCDRM
O=C([O-])NCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000740659224	579375583	/nfs/dbraw/zinc/37/55/83/579375583.db2.gz	HTLWDPNEFXVMCA-ZDUSSCGKSA-N	-1	0	337.376	1.350	20	10		EDCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nn1	ZINC000728696710	578550728	/nfs/dbraw/zinc/55/07/28/578550728.db2.gz	AYHKGDPHULCVSU-LFIBNONCSA-N	-1	0	331.335	1.729	20	10		EDCDRM
COc1cccc(CNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c1O	ZINC000732284378	578702776	/nfs/dbraw/zinc/70/27/76/578702776.db2.gz	RIUOEFNEEAQAND-UHFFFAOYSA-N	-1	0	341.323	1.674	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCN(C(=O)[O-])CC1	ZINC000738228943	579175050	/nfs/dbraw/zinc/17/50/50/579175050.db2.gz	BHSPQTIIZBOMEC-UHFFFAOYSA-N	-1	0	334.420	1.956	20	10		EDCDRM
O=C([O-])NCCCC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000739960582	579274439	/nfs/dbraw/zinc/27/44/39/579274439.db2.gz	XUQUQTYACULEMK-UHFFFAOYSA-N	-1	0	337.445	1.904	20	10		EDCDRM
COC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765038550	580133694	/nfs/dbraw/zinc/13/36/94/580133694.db2.gz	WEKRXRWFPOMGRY-UHFFFAOYSA-N	-1	0	347.352	1.739	20	10		EDCDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2	ZINC000766048269	580157389	/nfs/dbraw/zinc/15/73/89/580157389.db2.gz	QCKIUZYOGZAFCD-UHFFFAOYSA-N	-1	0	335.385	1.928	20	10		EDCDRM
COc1ccc2c(c1)nc(CNC(=O)c1cccc(O)c1O)n2C	ZINC000790938578	580781735	/nfs/dbraw/zinc/78/17/35/580781735.db2.gz	ZAMIUNVNONCNKG-UHFFFAOYSA-N	-1	0	327.340	1.923	20	10		EDCDRM
C[C@@H](NC(=O)N(C)[C@H](C)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000797714525	580979501	/nfs/dbraw/zinc/97/95/01/580979501.db2.gz	JPUVZGCWBCVDBC-CHWSQXEVSA-N	-1	0	335.404	1.699	20	10		EDCDRM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000023397977	590655299	/nfs/dbraw/zinc/65/52/99/590655299.db2.gz	NMFWSQQUZKNIBP-UHFFFAOYSA-N	-1	0	332.428	1.920	20	10		EDCDRM
O=C(NCC(=O)N1CCCCC1)NCc1cccc(Cl)c1O	ZINC000891895951	590677788	/nfs/dbraw/zinc/67/77/88/590677788.db2.gz	HPAFGUGBNUTRGD-UHFFFAOYSA-N	-1	0	325.796	1.857	20	10		EDCDRM
C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Br)cc(F)c1[O-]	ZINC000895326676	591714786	/nfs/dbraw/zinc/71/47/86/591714786.db2.gz	ZNRSRBDHSQGEGU-ZWNOBZJWSA-N	-1	0	334.185	1.611	20	10		EDCDRM
COc1ccc(N2CC[C@@H](NC(=O)c3cc(C(=O)[O-])nn3C)C2)cc1	ZINC000902046223	591903092	/nfs/dbraw/zinc/90/30/92/591903092.db2.gz	LLXOFXOATWDNHS-LLVKDONJSA-N	-1	0	344.371	1.136	20	10		EDCDRM
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](OC)C(=O)[O-]	ZINC000901743226	592454222	/nfs/dbraw/zinc/45/42/22/592454222.db2.gz	ICFMXPPRKUJAJJ-NSHDSACASA-N	-1	0	346.177	1.603	20	10		EDCDRM
O=C([O-])COCCOCC[NH2+]Cc1cccc(Br)c1[O-]	ZINC000904271932	592464077	/nfs/dbraw/zinc/46/40/77/592464077.db2.gz	FIWLGYGANBFSLG-UHFFFAOYSA-N	-1	0	348.193	1.362	20	10		EDCDRM
CC[C@](COC)(NC(=O)NCc1ccc(N(C)C)cc1C)C(=O)[O-]	ZINC000909042430	592711998	/nfs/dbraw/zinc/71/19/98/592711998.db2.gz	CXPDPGVHXOQKMV-QGZVFWFLSA-N	-1	0	337.420	1.740	20	10		EDCDRM
COCC[C@@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000839810925	593153029	/nfs/dbraw/zinc/15/30/29/593153029.db2.gz	OTGSYAFCLMDIKF-SNVBAGLBSA-N	-1	0	330.406	1.166	20	10		EDCDRM
CC(=O)C(=O)COC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O	ZINC000808492039	593262255	/nfs/dbraw/zinc/26/22/55/593262255.db2.gz	WSIQRSKKHLTIIH-UHFFFAOYSA-N	-1	0	349.364	1.526	20	10		EDCDRM
C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(=O)N(C)C	ZINC000804964585	593322171	/nfs/dbraw/zinc/32/21/71/593322171.db2.gz	MBSJSXYEMPNOPJ-SSDOTTSWSA-N	-1	0	334.203	1.975	20	10		EDCDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)NCc1ccccc1O	ZINC000826125057	594338349	/nfs/dbraw/zinc/33/83/49/594338349.db2.gz	FTUIRURSCASOLY-JQWIXIFHSA-N	-1	0	337.376	1.695	20	10		EDCDRM
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C(=O)[O-]	ZINC000828362715	594401094	/nfs/dbraw/zinc/40/10/94/594401094.db2.gz	REJSBKLONDUNPL-BBRMVZONSA-N	-1	0	329.400	1.925	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)[C@H]3CN(C(=O)[O-])CCO3)ccc21	ZINC000828486665	594433986	/nfs/dbraw/zinc/43/39/86/594433986.db2.gz	FBSCKMYGEVRLKW-OAHLLOKOSA-N	-1	0	333.388	1.064	20	10		EDCDRM
Cc1nn(C)cc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000830864261	594499772	/nfs/dbraw/zinc/49/97/72/594499772.db2.gz	AUXYNDCXURBHIC-OAHLLOKOSA-N	-1	0	345.403	1.533	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)C[C@H](C)NC(=O)[O-])CC2)cc1F	ZINC000829423097	594610901	/nfs/dbraw/zinc/61/09/01/594610901.db2.gz	AEHSBORMLGIKGD-NSHDSACASA-N	-1	0	339.367	1.529	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)C[C@H]3CCCN3C(=O)[O-])CC2)cc1	ZINC000829423661	594611177	/nfs/dbraw/zinc/61/11/77/594611177.db2.gz	JQVXYDAAJJDQDE-OAHLLOKOSA-N	-1	0	347.415	1.876	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)CC3(NC(=O)[O-])CCC3)CC2)cc1	ZINC000829423134	594611267	/nfs/dbraw/zinc/61/12/67/594611267.db2.gz	BKEBKAZUDVKGQE-UHFFFAOYSA-N	-1	0	347.415	1.924	20	10		EDCDRM
O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCCCSc1nccs1	ZINC000831381499	594619536	/nfs/dbraw/zinc/61/95/36/594619536.db2.gz	KSNKSKFCWJDJGX-SNVBAGLBSA-N	-1	0	345.446	1.510	20	10		EDCDRM
COc1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])c1O	ZINC000829559646	594639741	/nfs/dbraw/zinc/63/97/41/594639741.db2.gz	MBWZFMJKJTYNNY-CQSZACIVSA-N	-1	0	344.367	1.896	20	10		EDCDRM
CCN(CCCNC(=O)NCc1cccc(OC)c1O)C(=O)[O-]	ZINC000827123327	594644680	/nfs/dbraw/zinc/64/46/80/594644680.db2.gz	APXGWIIPRMLIDA-UHFFFAOYSA-N	-1	0	325.365	1.590	20	10		EDCDRM
Cc1cc(C(=O)OCC(=O)NCC(=O)[O-])c(C)n1-c1ccccc1C	ZINC000833752860	594922325	/nfs/dbraw/zinc/92/23/25/594922325.db2.gz	BVKUBYIQQHVRQY-UHFFFAOYSA-N	-1	0	344.367	1.760	20	10		EDCDRM
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000843329300	595075747	/nfs/dbraw/zinc/07/57/47/595075747.db2.gz	GEEQFOAMVBZHOW-BRWVUGGUSA-N	-1	0	346.427	1.981	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNS(=O)(=O)c3ncc[n-]3)C2)cc1	ZINC000867427925	595262675	/nfs/dbraw/zinc/26/26/75/595262675.db2.gz	CVOPRBPJDCMIQO-GFCCVEGCSA-N	-1	0	336.417	1.223	20	10		EDCDRM
CC[C@@H](C(=O)[O-])N(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000844839209	595402045	/nfs/dbraw/zinc/40/20/45/595402045.db2.gz	KDLNYKDAMBAPBL-INIZCTEOSA-N	-1	0	349.431	1.139	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CCO[C@@H](C)C2)cc1	ZINC000872960833	597140846	/nfs/dbraw/zinc/14/08/46/597140846.db2.gz	PHLZLARCMOOPCI-QWHCGFSZSA-N	-1	0	336.388	1.270	20	10		EDCDRM
CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000739242000	602135702	/nfs/dbraw/zinc/13/57/02/602135702.db2.gz	SYDVQRBBRNLAQS-CZUORRHYSA-N	-1	0	349.431	1.822	20	10		EDCDRM
COC(=O)CN(CC(=O)OC)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000271120382	291077845	/nfs/dbraw/zinc/07/78/45/291077845.db2.gz	HTUOHFVUVDMZHT-UHFFFAOYSA-N	-1	0	336.171	1.847	20	10		EDCDRM
CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1(=O)=O	ZINC000093735378	281245795	/nfs/dbraw/zinc/24/57/95/281245795.db2.gz	DLZNWJYJQMPKLK-UHFFFAOYSA-N	-1	0	348.808	1.963	20	10		EDCDRM
C[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000273492518	443576405	/nfs/dbraw/zinc/57/64/05/443576405.db2.gz	WXVYIVYRTDBIOQ-SNVBAGLBSA-N	-1	0	345.359	1.949	20	10		EDCDRM
CCN1C(=O)[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)CCN2C1=O	ZINC000365256362	446105031	/nfs/dbraw/zinc/10/50/31/446105031.db2.gz	MZWFITOBAIRKDU-NSHDSACASA-N	-1	0	341.770	1.653	20	10		EDCDRM
COc1cc(CNC(=O)C2=CC(=O)CS2)ccc1OCC(N)=O	ZINC000731871316	578681768	/nfs/dbraw/zinc/68/17/68/578681768.db2.gz	BASIEKWIXGREPQ-UHFFFAOYSA-N	-1	0	336.369	1.256	20	10		EDCDRM
CCN(CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000739387864	579199151	/nfs/dbraw/zinc/19/91/51/579199151.db2.gz	ANMRSKXPOAGIDG-CYBMUJFWSA-N	-1	0	335.404	1.700	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)N[C@@H](CNC(=O)[O-])C3CC3)ccc21	ZINC000739729216	579242416	/nfs/dbraw/zinc/24/24/16/579242416.db2.gz	CKIHLPNLVLACNZ-HNNXBMFYSA-N	-1	0	346.431	1.914	20	10		EDCDRM
COC1(C(=O)NCc2ccc(N(C)C)cc2C)CCN(C(=O)[O-])CC1	ZINC000739797634	579252411	/nfs/dbraw/zinc/25/24/11/579252411.db2.gz	PBLZLJOVJJHQPN-UHFFFAOYSA-N	-1	0	349.431	1.836	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])c1	ZINC000739930009	579269289	/nfs/dbraw/zinc/26/92/89/579269289.db2.gz	IELMUABVSIWLLV-OAHLLOKOSA-N	-1	0	344.367	1.896	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000775286780	580387372	/nfs/dbraw/zinc/38/73/72/580387372.db2.gz	NVWYFFGNCFMWCR-UHFFFAOYSA-N	-1	0	325.346	1.022	20	10		EDCDRM
CCOc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cn1	ZINC000775289136	580387424	/nfs/dbraw/zinc/38/74/24/580387424.db2.gz	SBQNTXLQLYNAJR-UHFFFAOYSA-N	-1	0	339.329	1.895	20	10		EDCDRM
O=C([O-])CNC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21	ZINC000781136154	580542530	/nfs/dbraw/zinc/54/25/30/580542530.db2.gz	HKXRYQCJOJNKBY-UHFFFAOYSA-N	-1	0	332.278	1.539	20	10		EDCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)NC(=O)CO2	ZINC000794934045	580908519	/nfs/dbraw/zinc/90/85/19/580908519.db2.gz	FWGCEAFKXXODCS-JYRVWZFOSA-N	-1	0	335.319	1.479	20	10		EDCDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000902080936	591909531	/nfs/dbraw/zinc/90/95/31/591909531.db2.gz	NYUDYAPXSSUSFI-XIKOKIGWSA-N	-1	0	332.400	1.375	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cc1	ZINC000900287552	591972635	/nfs/dbraw/zinc/97/26/35/591972635.db2.gz	JTJHUCFCFKPZIQ-KRWDZBQOSA-N	-1	0	345.403	1.292	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c(OC)c1	ZINC000902412006	591988305	/nfs/dbraw/zinc/98/83/05/591988305.db2.gz	ANEJBYXAORDPJO-CHWSQXEVSA-N	-1	0	334.372	1.073	20	10		EDCDRM
CC[C@@H](O)[C@H](C)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911360643	593006018	/nfs/dbraw/zinc/00/60/18/593006018.db2.gz	XNTGQONVYDFGEW-JOYOIKCWSA-N	-1	0	329.780	1.866	20	10		EDCDRM
Cn1cnc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1	ZINC000805135604	593364788	/nfs/dbraw/zinc/36/47/88/593364788.db2.gz	OTOBJTSBSZHXFJ-UHFFFAOYSA-N	-1	0	336.200	1.911	20	10		EDCDRM
C[C@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)NC(=O)[O-]	ZINC000824565645	594039796	/nfs/dbraw/zinc/03/97/96/594039796.db2.gz	OXUOSOVSMXWLOH-TZMCWYRMSA-N	-1	0	336.388	1.946	20	10		EDCDRM
C[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)NC(=O)[O-]	ZINC000824664363	594052865	/nfs/dbraw/zinc/05/28/65/594052865.db2.gz	KCWXZTRQSAZIEQ-LBPRGKRZSA-N	-1	0	337.445	1.902	20	10		EDCDRM
C[C@H](CN(C)C(=O)[O-])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000824846330	594083716	/nfs/dbraw/zinc/08/37/16/594083716.db2.gz	BZJYCJUVPVBQEK-ZIAGYGMSSA-N	-1	0	349.431	1.946	20	10		EDCDRM
CS[C@H](C)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000829704547	594244309	/nfs/dbraw/zinc/24/43/09/594244309.db2.gz	RSGBHCSMRYLLHV-MFKMUULPSA-N	-1	0	325.434	1.929	20	10		EDCDRM
Cc1cc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)on1	ZINC000829947525	594298401	/nfs/dbraw/zinc/29/84/01/594298401.db2.gz	WFKMMDHVLWVMPP-CYBMUJFWSA-N	-1	0	332.360	1.788	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)C2(O)CCCCC2)NC(=O)[O-])cc1	ZINC000828055241	594332000	/nfs/dbraw/zinc/33/20/00/594332000.db2.gz	GGVZPINKEQRMFK-OAHLLOKOSA-N	-1	0	349.431	1.873	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2cccc[n+]2[O-])NC(=O)[O-])cc1	ZINC000828063608	594333033	/nfs/dbraw/zinc/33/30/33/594333033.db2.gz	HOYVAFHBCCDIIB-AWEZNQCLSA-N	-1	0	344.371	1.125	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2cnns2)NC(=O)[O-])cc1	ZINC000828064655	594333629	/nfs/dbraw/zinc/33/36/29/594333629.db2.gz	VNHSZVSLAYWNKF-NSHDSACASA-N	-1	0	335.389	1.343	20	10		EDCDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)NCc1ccccc1O	ZINC000826125059	594338213	/nfs/dbraw/zinc/33/82/13/594338213.db2.gz	FTUIRURSCASOLY-PWSUYJOCSA-N	-1	0	337.376	1.695	20	10		EDCDRM
COc1cccc(CNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c1O	ZINC000829559700	594640368	/nfs/dbraw/zinc/64/03/68/594640368.db2.gz	MKBJRUDRTVOFAJ-JQWIXIFHSA-N	-1	0	337.376	1.636	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)c2cnc(NC(=O)[O-])cn2)cc1	ZINC000833874806	594954739	/nfs/dbraw/zinc/95/47/39/594954739.db2.gz	ZWJVZHORAPWSBO-UHFFFAOYSA-N	-1	0	329.360	1.905	20	10		EDCDRM
COC(=O)[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccnn1C	ZINC000843430245	595109485	/nfs/dbraw/zinc/10/94/85/595109485.db2.gz	QXBRPXXJGLRUFW-LBPRGKRZSA-N	-1	0	327.743	1.922	20	10		EDCDRM
CN(CC1(O)CCOCC1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000844214407	595304102	/nfs/dbraw/zinc/30/41/02/595304102.db2.gz	PWQCBUIYGGXCML-HYXAFXHYSA-N	-1	0	336.344	1.670	20	10		EDCDRM
CCO[N-]C(=O)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	ZINC000845545168	595516451	/nfs/dbraw/zinc/51/64/51/595516451.db2.gz	FRNNBMBHYCFDHH-UHFFFAOYSA-N	-1	0	336.436	1.740	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)[C@](C)(OC)C(=O)[O-])C2)cc1	ZINC000852944765	595623075	/nfs/dbraw/zinc/62/30/75/595623075.db2.gz	LEKCNUIEPYJNMN-PXAZEXFGSA-N	-1	0	336.388	1.127	20	10		EDCDRM
O=C([O-])[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CC1	ZINC000852957542	595628961	/nfs/dbraw/zinc/62/89/61/595628961.db2.gz	VOOPTJNEGPEELJ-INIZCTEOSA-N	-1	0	332.400	1.375	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000851649110	595868163	/nfs/dbraw/zinc/86/81/63/595868163.db2.gz	IYFCTJQUDDUYKQ-RDTXWAMCSA-N	-1	0	347.415	1.304	20	10		EDCDRM
C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000739153713	602755438	/nfs/dbraw/zinc/75/54/38/602755438.db2.gz	OACWMAOPIBVFHR-LLVKDONJSA-N	-1	0	338.383	1.785	20	10		EDCDRM
C[C@H](CC(=O)[O-])CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000325375559	703002903	/nfs/dbraw/zinc/00/29/03/703002903.db2.gz	LPEGGEIZDWLZCE-LBPRGKRZSA-N	-1	0	338.379	1.779	20	10		EDCDRM
COc1ccc(-n2c(C)cc(C(=O)NCCOCC(=O)[O-])c2C)cc1	ZINC000262770773	443211674	/nfs/dbraw/zinc/21/16/74/443211674.db2.gz	ACGDAYUTWYNHCD-UHFFFAOYSA-N	-1	0	346.383	1.934	20	10		EDCDRM
O=C([O-])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000274215255	443597979	/nfs/dbraw/zinc/59/79/79/443597979.db2.gz	XPBCGIQOAGGBFJ-UHFFFAOYSA-N	-1	0	332.278	1.243	20	10		EDCDRM
COC(=O)CC1(CS(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1	ZINC000274876340	443613610	/nfs/dbraw/zinc/61/36/10/443613610.db2.gz	BTNYMSVUWYEKOW-UHFFFAOYSA-N	-1	0	343.357	1.175	20	10		EDCDRM
C[C@@H]1CN(c2ccc(CNC(=O)CNC(=O)[O-])cc2F)C[C@H](C)O1	ZINC000285550202	444025216	/nfs/dbraw/zinc/02/52/16/444025216.db2.gz	DZBZYQWZQGAQDS-PHIMTYICSA-N	-1	0	339.367	1.323	20	10		EDCDRM
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000368319498	446784490	/nfs/dbraw/zinc/78/44/90/446784490.db2.gz	XNULPLQYJROPON-CMPLNLGQSA-N	-1	0	347.198	1.297	20	10		EDCDRM
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000740446391	579348020	/nfs/dbraw/zinc/34/80/20/579348020.db2.gz	FELWKPGVUKESIS-HUUCEWRRSA-N	-1	0	333.388	1.016	20	10		EDCDRM
Cc1nn(C)c2ncc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc12	ZINC000728696781	578550720	/nfs/dbraw/zinc/55/07/20/578550720.db2.gz	DBKXVUZSHLFPGD-OQLLNIDSSA-N	-1	0	333.351	1.738	20	10		EDCDRM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000739713211	579240131	/nfs/dbraw/zinc/24/01/31/579240131.db2.gz	BHJMGYLDVKURHG-UHFFFAOYSA-N	-1	0	344.327	1.474	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCN2C(=O)[O-])c1	ZINC000739926103	579268764	/nfs/dbraw/zinc/26/87/64/579268764.db2.gz	ZCXONSDKQRVTLR-GHMZBOCLSA-N	-1	0	337.376	1.903	20	10		EDCDRM
COc1cccc(CNC(=O)[C@H](CCSC)NC(=O)[O-])c1O	ZINC000739948486	579272479	/nfs/dbraw/zinc/27/24/79/579272479.db2.gz	YVYRVDMHAJCEKF-JTQLQIEISA-N	-1	0	328.390	1.406	20	10		EDCDRM
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000765464892	580143137	/nfs/dbraw/zinc/14/31/37/580143137.db2.gz	GIEMCOCBDYTSCV-UHFFFAOYSA-N	-1	0	343.387	1.545	20	10		EDCDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1	ZINC000797820026	580981664	/nfs/dbraw/zinc/98/16/64/580981664.db2.gz	CIVJUCMHVYMRSH-UHFFFAOYSA-N	-1	0	327.314	1.581	20	10		EDCDRM
[O-]c1c(Br)cc(Cl)cc1CN1CCN(CCO)CC1	ZINC000893864209	591120249	/nfs/dbraw/zinc/12/02/49/591120249.db2.gz	TYHFOSSIZFEVOD-UHFFFAOYSA-N	-1	0	349.656	1.918	20	10		EDCDRM
CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1cc(F)cc(F)c1[O-]	ZINC000895197159	591652333	/nfs/dbraw/zinc/65/23/33/591652333.db2.gz	JZAPERFNPDTBGU-LBPRGKRZSA-N	-1	0	332.372	1.889	20	10		EDCDRM
CCS(=O)(=O)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	ZINC000897908696	591717834	/nfs/dbraw/zinc/71/78/34/591717834.db2.gz	LMFYNARJISSZIZ-UHFFFAOYSA-N	-1	0	341.410	1.572	20	10		EDCDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C2CC2)nn1C	ZINC000901932921	591868718	/nfs/dbraw/zinc/86/87/18/591868718.db2.gz	XQESUUPAJDMIOR-UHFFFAOYSA-N	-1	0	337.401	1.950	20	10		EDCDRM
Cc1ccn([C@@H](C)CC(=O)N(CC(=O)[O-])Cc2ccccc2O)n1	ZINC000911488675	592929116	/nfs/dbraw/zinc/92/91/16/592929116.db2.gz	MDVVJVUPGUBTEH-ZDUSSCGKSA-N	-1	0	331.372	1.962	20	10		EDCDRM
CCO[C@@H](C(=O)N(CC(=O)[O-])Cc1ccccc1O)[C@H]1CCOC1	ZINC000911492592	592930147	/nfs/dbraw/zinc/93/01/47/592930147.db2.gz	IGCKHNJULICKIE-XJKSGUPXSA-N	-1	0	337.372	1.247	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)CCn1cc(Cl)cn1	ZINC000911493810	592930532	/nfs/dbraw/zinc/93/05/32/592930532.db2.gz	PLCPJYBLPOTURZ-UHFFFAOYSA-N	-1	0	337.763	1.746	20	10		EDCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(C(=O)[O-])on1	ZINC000911131563	592932619	/nfs/dbraw/zinc/93/26/19/592932619.db2.gz	SQMHIRBBVHAZNH-UHFFFAOYSA-N	-1	0	345.355	1.482	20	10		EDCDRM
Cc1cc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c(C)n1-c1ccccn1	ZINC000911633009	592970574	/nfs/dbraw/zinc/97/05/74/592970574.db2.gz	AACJZGQBQAIUCU-GOEBONIOSA-N	-1	0	343.383	1.539	20	10		EDCDRM
Cn1cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cc1C(N)=O	ZINC000808115075	593224334	/nfs/dbraw/zinc/22/43/34/593224334.db2.gz	NLDCNPJYJDOYQV-UHFFFAOYSA-N	-1	0	347.755	1.423	20	10		EDCDRM
CN1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1=O	ZINC000805183509	593406663	/nfs/dbraw/zinc/40/66/63/593406663.db2.gz	HJKNCMMJXRWBNF-SECBINFHSA-N	-1	0	332.187	1.729	20	10		EDCDRM
C[C@@H](CN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000817114201	593572098	/nfs/dbraw/zinc/57/20/98/593572098.db2.gz	HXVPYNKTSRSRCP-RYUDHWBXSA-N	-1	0	335.404	1.109	20	10		EDCDRM
O=C([O-])CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000819429946	593754307	/nfs/dbraw/zinc/75/43/07/593754307.db2.gz	BZVBUNNQBKLZIG-CQSZACIVSA-N	-1	0	336.388	1.948	20	10		EDCDRM
Cc1cc(C(=O)NCCCO)c(C)n1-c1ccc(-c2nn[nH]n2)cc1	ZINC000822176336	594003768	/nfs/dbraw/zinc/00/37/68/594003768.db2.gz	JTDLKKAHECGEGV-UHFFFAOYSA-N	-1	0	340.387	1.386	20	10		EDCDRM
C[C@@H]1CC[C@H](C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)O1	ZINC000825868012	594265636	/nfs/dbraw/zinc/26/56/36/594265636.db2.gz	YTMVLFOFCBLHCL-BYCMXARLSA-N	-1	0	335.404	1.745	20	10		EDCDRM
Cc1cc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)[nH]n1	ZINC000829946956	594298338	/nfs/dbraw/zinc/29/83/38/594298338.db2.gz	SXQBVKKGWAHOTJ-AWEZNQCLSA-N	-1	0	331.376	1.523	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)c2cnsn2)NC(=O)[O-])cc1	ZINC000828063397	594333117	/nfs/dbraw/zinc/33/31/17/594333117.db2.gz	FNKBENVXTJBRRT-NSHDSACASA-N	-1	0	335.389	1.343	20	10		EDCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000828074038	594335371	/nfs/dbraw/zinc/33/53/71/594335371.db2.gz	SWPPKWWAIMPDAB-INIZCTEOSA-N	-1	0	337.351	1.570	20	10		EDCDRM
CN(C)c1ccc(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)cc1F	ZINC000830639682	594444987	/nfs/dbraw/zinc/44/49/87/594444987.db2.gz	MPPBKPWMIMCJIM-UHFFFAOYSA-N	-1	0	344.408	1.566	20	10		EDCDRM
COC(=O)/C=C\c1ccc(N2C[C@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000831118490	594561560	/nfs/dbraw/zinc/56/15/60/594561560.db2.gz	AJYXOFJUMTUCJF-IHZVSJIRSA-N	-1	0	334.328	1.938	20	10		EDCDRM
O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCc1ccc(N2CCCC2)cc1	ZINC000831388504	594621098	/nfs/dbraw/zinc/62/10/98/594621098.db2.gz	VMQIKNIUDHPDPI-MRXNPFEDSA-N	-1	0	347.415	1.672	20	10		EDCDRM
O=C([O-])N1CCC2(C[C@@H]2C(=O)NCCc2ccc(O)c(O)c2)CC1	ZINC000834041922	594998953	/nfs/dbraw/zinc/99/89/53/594998953.db2.gz	BTPXNVGYCLJJCE-GFCCVEGCSA-N	-1	0	334.372	1.537	20	10		EDCDRM
C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1C(=O)[O-]	ZINC000843035193	595269977	/nfs/dbraw/zinc/26/99/77/595269977.db2.gz	HMKZMKDLZQVTBQ-RKDXNWHRSA-N	-1	0	335.316	1.473	20	10		EDCDRM
O=C([O-])c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1F	ZINC000849244352	595497660	/nfs/dbraw/zinc/49/76/60/595497660.db2.gz	ZIOVUWKCZFIEJX-WQLSENKSSA-N	-1	0	336.344	1.826	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)C[C@H]2CCOC2)cc1	ZINC000872940258	597133422	/nfs/dbraw/zinc/13/34/22/597133422.db2.gz	BSFZFVMOELQDQL-CYBMUJFWSA-N	-1	0	336.388	1.081	20	10		EDCDRM
Cc1cc(Cn2cc(C[N-]C(=O)C(F)(F)F)nn2)ccc1N(C)C	ZINC000881377350	598136199	/nfs/dbraw/zinc/13/61/99/598136199.db2.gz	KDEVPYXRSGTGFT-UHFFFAOYSA-N	-1	0	341.337	1.879	20	10		EDCDRM
CCN1C(=O)[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)CCN2C1=O	ZINC000365256361	446104904	/nfs/dbraw/zinc/10/49/04/446104904.db2.gz	MZWFITOBAIRKDU-LLVKDONJSA-N	-1	0	341.770	1.653	20	10		EDCDRM
O=C([O-])N[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000740585194	579364575	/nfs/dbraw/zinc/36/45/75/579364575.db2.gz	LXMNGJKZTKGJHG-CQSZACIVSA-N	-1	0	332.404	1.838	20	10		EDCDRM
COCCCNC(=O)[C@H](C)N1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739808886	579253935	/nfs/dbraw/zinc/25/39/35/579253935.db2.gz	YWUDOIVYTBDJDZ-ZDUSSCGKSA-N	-1	0	349.431	1.748	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)[C@H](CCSC)NC(=O)[O-])c1	ZINC000739933736	579270112	/nfs/dbraw/zinc/27/01/12/579270112.db2.gz	ZWFCLLALMZCERR-NSHDSACASA-N	-1	0	328.390	1.406	20	10		EDCDRM
CCOc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1CO	ZINC000765059356	580134232	/nfs/dbraw/zinc/13/42/32/580134232.db2.gz	BVFAJMVBKUPMHQ-UHFFFAOYSA-N	-1	0	349.368	1.915	20	10		EDCDRM
CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000779609349	580491184	/nfs/dbraw/zinc/49/11/84/580491184.db2.gz	PNRHDDRSCQNPJN-LLVKDONJSA-N	-1	0	336.816	1.698	20	10		EDCDRM
COc1ccc(CNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c(O)c1	ZINC000796351733	580951835	/nfs/dbraw/zinc/95/18/35/580951835.db2.gz	XEPWJMGZZZEKOO-UHFFFAOYSA-N	-1	0	341.323	1.674	20	10		EDCDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1	ZINC000910219759	592796101	/nfs/dbraw/zinc/79/61/01/592796101.db2.gz	PWAQUKGQSZLWLJ-SFHVURJKSA-N	-1	0	343.383	1.805	20	10		EDCDRM
Cc1cc(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)c(C)n1-c1ccccn1	ZINC000910321893	592840708	/nfs/dbraw/zinc/84/07/08/592840708.db2.gz	AJQLAMZWJVRLBN-SFHVURJKSA-N	-1	0	343.383	1.805	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)Cn2ccc(C(=O)[O-])n2)cc1F	ZINC000911352350	593001939	/nfs/dbraw/zinc/00/19/39/593001939.db2.gz	KCFVJJMYRDDCNZ-UHFFFAOYSA-N	-1	0	348.378	1.883	20	10		EDCDRM
Cc1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cc1S(N)(=O)=O	ZINC000808440464	593259020	/nfs/dbraw/zinc/25/90/20/593259020.db2.gz	MRGMFJBDOQJNLF-UHFFFAOYSA-N	-1	0	337.357	1.868	20	10		EDCDRM
CN(C)c1ccc(CN(C(=O)C(=O)N(C)CCC(=O)[O-])C2CC2)cc1	ZINC000817895251	593646312	/nfs/dbraw/zinc/64/63/12/593646312.db2.gz	VTRHMWVDKLMGFK-UHFFFAOYSA-N	-1	0	347.415	1.177	20	10		EDCDRM
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000820607598	593843580	/nfs/dbraw/zinc/84/35/80/593843580.db2.gz	JOXXYOJPUWAYAO-UHFFFAOYSA-N	-1	0	328.324	1.688	20	10		EDCDRM
O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1cnn2c1OCCC2	ZINC000821190642	593986914	/nfs/dbraw/zinc/98/69/14/593986914.db2.gz	DILCLEBTLCYRLN-UHFFFAOYSA-N	-1	0	329.765	1.825	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000829718968	594246939	/nfs/dbraw/zinc/24/69/39/594246939.db2.gz	SZFWOFVRPSQTJI-GFCCVEGCSA-N	-1	0	328.434	1.625	20	10		EDCDRM
CCC1(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)COC1	ZINC000826640432	594545065	/nfs/dbraw/zinc/54/50/65/594545065.db2.gz	VQQFQRKEGAGGDQ-AWEZNQCLSA-N	-1	0	335.404	1.604	20	10		EDCDRM
COc1cccc(CNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)c1O	ZINC000829560080	594640166	/nfs/dbraw/zinc/64/01/66/594640166.db2.gz	ONVLEHLYHPKAPB-GFCCVEGCSA-N	-1	0	338.360	1.176	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000832888530	594783142	/nfs/dbraw/zinc/78/31/42/594783142.db2.gz	JSJPHHIXLDVJJF-UHFFFAOYSA-N	-1	0	331.376	1.664	20	10		EDCDRM
NC(=O)C[C@@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000833080482	594796283	/nfs/dbraw/zinc/79/62/83/594796283.db2.gz	SERFZNARULSGJZ-RNZFLTOJSA-N	-1	0	333.344	1.784	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)CC2(CC(=O)[O-])CC2)c1	ZINC000833733816	594918328	/nfs/dbraw/zinc/91/83/28/594918328.db2.gz	RKFQTSXPBOHLQT-SNVBAGLBSA-N	-1	0	343.401	1.636	20	10		EDCDRM
CC[C@](C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)OC	ZINC000833798799	594932016	/nfs/dbraw/zinc/93/20/16/594932016.db2.gz	FPSKQYZBOCOXOP-CQSZACIVSA-N	-1	0	330.406	1.309	20	10		EDCDRM
O=C([O-])N1CC[C@@H](N(C(=O)/C=C\c2ccc(O)c(O)c2)C2CC2)C1	ZINC000834086703	595010883	/nfs/dbraw/zinc/01/08/83/595010883.db2.gz	WETPGUMNXVYETA-IUAZIXFQSA-N	-1	0	332.356	1.854	20	10		EDCDRM
C[C@@H](NC(=O)N[C@@H](CF)C(=O)[O-])c1ccc(N2CCOCC2)cc1	ZINC000837296251	595079144	/nfs/dbraw/zinc/07/91/44/595079144.db2.gz	OOCYPYZFCFBEAO-RISCZKNCSA-N	-1	0	339.367	1.306	20	10		EDCDRM
C[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000842570706	595129514	/nfs/dbraw/zinc/12/95/14/595129514.db2.gz	FTFJJCLLSIRERF-IJLUTSLNSA-N	-1	0	338.379	1.776	20	10		EDCDRM
COC[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1	ZINC000844212036	595303522	/nfs/dbraw/zinc/30/35/22/595303522.db2.gz	OVNPZIUTFCLHQU-IKHFIWMDSA-N	-1	0	336.344	1.933	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)c3cc(=O)n(C)[n-]3)C2)cc1	ZINC000854981380	595554090	/nfs/dbraw/zinc/55/40/90/595554090.db2.gz	PZNGIUHFKLXKOI-LBPRGKRZSA-N	-1	0	330.388	1.391	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)[C@@H]2CCOC2)cc1	ZINC000853007481	595640103	/nfs/dbraw/zinc/64/01/03/595640103.db2.gz	AUZJKMPNYUOVOU-CHWSQXEVSA-N	-1	0	336.388	1.127	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)c2ccn(C)n2)cc1	ZINC000853011704	595641789	/nfs/dbraw/zinc/64/17/89/595641789.db2.gz	YXEDPDXYQZSPNE-LBPRGKRZSA-N	-1	0	346.387	1.197	20	10		EDCDRM
COCCNC(=O)C1(NCc2c(O)cccc2Br)CC1	ZINC000858177453	595721067	/nfs/dbraw/zinc/72/10/67/595721067.db2.gz	LLCJENQFUNTBIN-UHFFFAOYSA-N	-1	0	343.221	1.540	20	10		EDCDRM
O=C(CCc1nnn[n-]1)NCc1ccc(N2CCSCC2)cc1	ZINC000864918509	596416228	/nfs/dbraw/zinc/41/62/28/596416228.db2.gz	HTVDBFMDNYOHIS-UHFFFAOYSA-N	-1	0	332.433	1.002	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)cc1	ZINC000874413219	597066982	/nfs/dbraw/zinc/06/69/82/597066982.db2.gz	WARYUJVHXHATFH-OKILXGFUSA-N	-1	0	347.415	1.780	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCOC[C@H]2C2CC2)cc1	ZINC000872971584	597145258	/nfs/dbraw/zinc/14/52/58/597145258.db2.gz	PGKXBWALKWXBAO-INIZCTEOSA-N	-1	0	348.399	1.224	20	10		EDCDRM
CNC(=O)[C@@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000326407587	600239072	/nfs/dbraw/zinc/23/90/72/600239072.db2.gz	RRPMCHMTTFDKCI-SMYYYNMVSA-N	-1	0	333.344	1.655	20	10		EDCDRM
CC(C)(CCC(=O)NCc1ccc(N2CCOCC2)cc1)NC(=O)[O-]	ZINC000738742260	602825261	/nfs/dbraw/zinc/82/52/61/602825261.db2.gz	ZKIHJHHOWVEXAE-UHFFFAOYSA-N	-1	0	349.431	1.966	20	10		EDCDRM
Cc1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c(O)c1O	ZINC000177685467	442370431	/nfs/dbraw/zinc/37/04/31/442370431.db2.gz	ZIECGNBJABUDCA-VIFPVBQESA-N	-1	0	332.278	1.299	20	10		EDCDRM
CCOC(=O)c1[nH]c(=O)n(-c2cc(Cl)c(N)c(Cl)c2)c1[O-]	ZINC000278271501	444124785	/nfs/dbraw/zinc/12/47/85/444124785.db2.gz	YMWJBQXWDDBHIF-SECBINFHSA-N	-1	0	332.143	1.564	20	10		EDCDRM
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1[O-]	ZINC000377701403	447304426	/nfs/dbraw/zinc/30/44/26/447304426.db2.gz	PABJXSRCLCTANE-QPUJVOFHSA-N	-1	0	346.792	1.573	20	10		EDCDRM
O=C([O-])N[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000740586703	579364859	/nfs/dbraw/zinc/36/48/59/579364859.db2.gz	UZVGPRDBJGFSJH-AWEZNQCLSA-N	-1	0	330.388	1.614	20	10		EDCDRM
O=C1NC(=O)N2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]12	ZINC000761217509	580052042	/nfs/dbraw/zinc/05/20/42/580052042.db2.gz	UUJBJEGACXOUCW-JTQLQIEISA-N	-1	0	330.171	1.435	20	10		EDCDRM
CCN(CC)c1ccc(CNC(=O)N[C@@H](COC)C(=O)[O-])cc1F	ZINC000797720630	580979704	/nfs/dbraw/zinc/97/97/04/580979704.db2.gz	ZDPQVECBFUZEEI-ZDUSSCGKSA-N	-1	0	341.383	1.571	20	10		EDCDRM
O=C([C@H]1CCCO1)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000893891505	591132341	/nfs/dbraw/zinc/13/23/41/591132341.db2.gz	JGBAYAGNNIRLCU-CQSZACIVSA-N	-1	0	326.343	1.494	20	10		EDCDRM
C[C@@H]1CN(C)C(=O)CN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894534407	591335716	/nfs/dbraw/zinc/33/57/16/591335716.db2.gz	LYQFPEJEIJNTEQ-MRVPVSSYSA-N	-1	0	331.185	1.956	20	10		EDCDRM
[O-]c1c(Cl)cc(Cl)cc1CN1CCn2nnc(CO)c2C1	ZINC000894802975	591421953	/nfs/dbraw/zinc/42/19/53/591421953.db2.gz	JFHJDQFXUYIARS-UHFFFAOYSA-N	-1	0	329.187	1.799	20	10		EDCDRM
CS(=O)(=O)C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCO1	ZINC000897595268	591574424	/nfs/dbraw/zinc/57/44/24/591574424.db2.gz	KPDCHNBUIQPSPL-LLVKDONJSA-N	-1	0	337.800	1.430	20	10		EDCDRM
O=C([O-])CN1C(=O)/C(=C\c2cnn(CC3CCC3)c2)SC1=S	ZINC000899342460	591786561	/nfs/dbraw/zinc/78/65/61/591786561.db2.gz	XEYIOHFGFDAANC-NYYWCZLTSA-N	-1	0	337.426	1.969	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC000901977081	591875663	/nfs/dbraw/zinc/87/56/63/591875663.db2.gz	QTTYLVNRVOEMPB-GOEBONIOSA-N	-1	0	334.416	1.947	20	10		EDCDRM
Cc1c([C@@H](NCc2cc(F)c(N(C)C)cc2F)C(=O)[O-])cnn1C	ZINC000904048182	592420277	/nfs/dbraw/zinc/42/02/77/592420277.db2.gz	NTHDLXXYOLTDRQ-OAHLLOKOSA-N	-1	0	338.358	1.988	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@H]3C(=O)[O-])C2)cc1	ZINC000901681188	592436446	/nfs/dbraw/zinc/43/64/46/592436446.db2.gz	CKDWGDOPHWBLRK-DAXOMENPSA-N	-1	0	332.400	1.749	20	10		EDCDRM
CO[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](C(=O)[O-])C1	ZINC000908758990	592601608	/nfs/dbraw/zinc/60/16/08/592601608.db2.gz	VOXAMBLYYZDIRU-CABCVRRESA-N	-1	0	335.404	1.526	20	10		EDCDRM
COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C(=O)[O-])C3CC3)C2)cc1	ZINC000909130485	592737241	/nfs/dbraw/zinc/73/72/41/592737241.db2.gz	AGRUNMGQSHHFPQ-LRDDRELGSA-N	-1	0	347.415	1.684	20	10		EDCDRM
O=C([O-])c1cc(NCc2ccc(N3CCOCC3)c(F)c2)ncn1	ZINC000906141752	592752210	/nfs/dbraw/zinc/75/22/10/592752210.db2.gz	YWSNBJSQVHABGE-UHFFFAOYSA-N	-1	0	332.335	1.763	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)c1cn2c(n1)CCC2	ZINC000911359993	593005829	/nfs/dbraw/zinc/00/58/29/593005829.db2.gz	JRRRACXHPBKPLT-UHFFFAOYSA-N	-1	0	349.774	1.915	20	10		EDCDRM
C[C@@H](O)c1cn(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])nn1	ZINC000813683074	593548345	/nfs/dbraw/zinc/54/83/45/593548345.db2.gz	SCZGLMMFMZGMTO-SSDOTTSWSA-N	-1	0	345.186	1.660	20	10		EDCDRM
C[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C(=O)[O-]	ZINC000818330091	593693162	/nfs/dbraw/zinc/69/31/62/593693162.db2.gz	MQVSIGHWLCMBGL-DYVFJYSZSA-N	-1	0	333.432	1.554	20	10		EDCDRM
Cc1[nH]nc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1C	ZINC000829833728	594272990	/nfs/dbraw/zinc/27/29/90/594272990.db2.gz	MYNMXUIJTVNNKI-AWEZNQCLSA-N	-1	0	345.403	1.831	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)C2(O)CCCC2)NC(=O)[O-])cc1	ZINC000828055874	594331860	/nfs/dbraw/zinc/33/18/60/594331860.db2.gz	LFFBAPINNVSDSL-CQSZACIVSA-N	-1	0	335.404	1.483	20	10		EDCDRM
C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H]1C(=O)[O-]	ZINC000828355374	594399919	/nfs/dbraw/zinc/39/99/19/594399919.db2.gz	WJLBLRMQCDJKLR-ZJUUUORDSA-N	-1	0	329.447	1.987	20	10		EDCDRM
C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C(=O)[O-]	ZINC000828363448	594401562	/nfs/dbraw/zinc/40/15/62/594401562.db2.gz	WERNCMITTLZIDF-IUODEOHRSA-N	-1	0	331.416	1.931	20	10		EDCDRM
COC(=O)/C=C\c1ccc(N2CC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000828649149	594472405	/nfs/dbraw/zinc/47/24/05/594472405.db2.gz	XTLQIKUXQDSANE-TXNVCOODSA-N	-1	0	349.343	1.970	20	10		EDCDRM
Cc1ccc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(O)c1O	ZINC000831134464	594565284	/nfs/dbraw/zinc/56/52/84/594565284.db2.gz	LYRDDHREQSBNCN-UHFFFAOYSA-N	-1	0	332.278	1.157	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)C2(OC)CCN(C(=O)[O-])CC2)c1	ZINC000829483155	594623448	/nfs/dbraw/zinc/62/34/48/594623448.db2.gz	DTDXOEKOWMHPHA-UHFFFAOYSA-N	-1	0	338.360	1.176	20	10		EDCDRM
COc1cccc(CNC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c1O	ZINC000829559702	594640273	/nfs/dbraw/zinc/64/02/73/594640273.db2.gz	MKBJRUDRTVOFAJ-PWSUYJOCSA-N	-1	0	337.376	1.636	20	10		EDCDRM
CC[C@](C)(CNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1)OC	ZINC000853010565	595640882	/nfs/dbraw/zinc/64/08/82/595640882.db2.gz	FYHORBPVERPRQM-QGZVFWFLSA-N	-1	0	338.404	1.518	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)N3CC(C(=O)[O-])C3)CC2)cc1	ZINC000857097857	596157009	/nfs/dbraw/zinc/15/70/09/596157009.db2.gz	WLYPWEWYAQNHCO-UHFFFAOYSA-N	-1	0	333.388	1.390	20	10		EDCDRM
C[C@@H](NC(=O)CCCc1nnn[n-]1)c1ccc(N2CCOCC2)cc1	ZINC000874197462	596964166	/nfs/dbraw/zinc/96/41/66/596964166.db2.gz	WSHAULFUHHPVSK-CYBMUJFWSA-N	-1	0	344.419	1.236	20	10		EDCDRM
CN(C)c1ccc(CN(C(=O)CCCc2nnn[n-]2)C2CC2)cc1	ZINC000873967720	597474267	/nfs/dbraw/zinc/47/42/67/597474267.db2.gz	SKDNZLJCJIGRBJ-UHFFFAOYSA-N	-1	0	328.420	1.780	20	10		EDCDRM
CN1CCOc2ccc([N-]S(=O)(=O)c3cccc4nonc43)cc21	ZINC000129296291	597770395	/nfs/dbraw/zinc/77/03/95/597770395.db2.gz	UQEQFWMSLOLBBN-UHFFFAOYSA-N	-1	0	346.368	1.852	20	10		EDCDRM
O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000324696831	696801785	/nfs/dbraw/zinc/80/17/85/696801785.db2.gz	OIVOHWJWOSQDCG-UHFFFAOYSA-N	-1	0	349.324	1.061	20	10		EDCDRM
O=C1N[C@H](c2cc(Br)ccc2O)N2CCSC[C@H]12	ZINC000270829289	443482304	/nfs/dbraw/zinc/48/23/04/443482304.db2.gz	UATGSNYIFAGMOC-KOLCDFICSA-N	-1	0	329.219	1.701	20	10		EDCDRM
CS(=O)(=O)N1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1	ZINC000294909795	444157158	/nfs/dbraw/zinc/15/71/58/444157158.db2.gz	NGZXMEJZZWRYSN-UHFFFAOYSA-N	-1	0	336.816	1.652	20	10		EDCDRM
O=C(CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)NC1CC1	ZINC000295055158	444164702	/nfs/dbraw/zinc/16/47/02/444164702.db2.gz	ZJTLGTWUFSHDGK-UHFFFAOYSA-N	-1	0	341.814	1.581	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)[C@H]3CSCN3C(=O)[O-])ccc21	ZINC000739732064	579242956	/nfs/dbraw/zinc/24/29/56/579242956.db2.gz	SPKQULWZBGMAIP-CQSZACIVSA-N	-1	0	335.429	1.738	20	10		EDCDRM
COc1cccc(CNC(=O)c2csc(CNC(=O)[O-])n2)c1O	ZINC000739944469	579271783	/nfs/dbraw/zinc/27/17/83/579271783.db2.gz	KWSIZVMBLQBDGJ-UHFFFAOYSA-N	-1	0	337.357	1.555	20	10		EDCDRM
O=C1N=C(N2CCOCC2)S/C1=C/c1cc(F)c([O-])c(F)c1	ZINC000749891384	579743040	/nfs/dbraw/zinc/74/30/40/579743040.db2.gz	IUYQIAXNAAIERE-YRNVUSSQSA-N	-1	0	326.324	1.973	20	10		EDCDRM
Cn1cnc2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc21	ZINC000753924825	579891193	/nfs/dbraw/zinc/89/11/93/579891193.db2.gz	WWIAMAXETLOZTM-UHFFFAOYSA-N	-1	0	329.341	1.910	20	10		EDCDRM
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000775289287	580387422	/nfs/dbraw/zinc/38/74/22/580387422.db2.gz	UDZXYMSXRYYCIN-NXEZZACHSA-N	-1	0	329.378	1.935	20	10		EDCDRM
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(O)c(C)c1	ZINC000776748340	580427649	/nfs/dbraw/zinc/42/76/49/580427649.db2.gz	BUUYNLXWRMCPGS-UHFFFAOYSA-N	-1	0	339.373	1.710	20	10		EDCDRM
CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000780477961	580524098	/nfs/dbraw/zinc/52/40/98/580524098.db2.gz	HJBKYYLRHWBZEQ-CZUORRHYSA-N	-1	0	349.431	1.993	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cncc(OC)c1	ZINC000799124716	581017582	/nfs/dbraw/zinc/01/75/82/581017582.db2.gz	XJCJEOGXSWIAFJ-UHFFFAOYSA-N	-1	0	338.341	1.383	20	10		EDCDRM
CC[C@H](C)NC(=O)CN1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000893927157	591140293	/nfs/dbraw/zinc/14/02/93/591140293.db2.gz	BXXQXAZSHDOPLH-LBPRGKRZSA-N	-1	0	341.402	1.703	20	10		EDCDRM
[O-]c1c(Br)cccc1CN1CCn2nnc(CO)c2C1	ZINC000894802732	591422209	/nfs/dbraw/zinc/42/22/09/591422209.db2.gz	HDRIRVRHENMQIJ-UHFFFAOYSA-N	-1	0	339.193	1.254	20	10		EDCDRM
C[C@H](O)[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCO1	ZINC000895015681	591524068	/nfs/dbraw/zinc/52/40/68/591524068.db2.gz	HSSHKJRXWZSLNS-UFBFGSQYSA-N	-1	0	334.185	1.875	20	10		EDCDRM
CC[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)C(=O)[O-]	ZINC000909132637	592737898	/nfs/dbraw/zinc/73/78/98/592737898.db2.gz	VYQWNKHDELSOIN-WFASDCNBSA-N	-1	0	335.404	1.684	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)c1cn2c(n1)CCCC2	ZINC000911494854	592930797	/nfs/dbraw/zinc/93/07/97/592930797.db2.gz	YLRPDDJNHBZCRK-UHFFFAOYSA-N	-1	0	329.356	1.652	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)cc1	ZINC000817109359	593571105	/nfs/dbraw/zinc/57/11/05/593571105.db2.gz	FWPCWBNUVPQUQK-UHFFFAOYSA-N	-1	0	347.415	1.128	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCC(=O)[O-]	ZINC000817114347	593572056	/nfs/dbraw/zinc/57/20/56/593572056.db2.gz	FIZJNVWIXOHSEL-UHFFFAOYSA-N	-1	0	335.404	1.082	20	10		EDCDRM
O=C1NCc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3[O-])cc21	ZINC000821169130	593981538	/nfs/dbraw/zinc/98/15/38/593981538.db2.gz	RJSHOANKCVPOIH-UHFFFAOYSA-N	-1	0	340.307	1.715	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)Cc2cccnc2)NC(=O)[O-])cc1	ZINC000828063750	594333181	/nfs/dbraw/zinc/33/31/81/594333181.db2.gz	IFIPZNXYORMNCC-MRXNPFEDSA-N	-1	0	342.399	1.815	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)C[C@H]3CN(C(=O)[O-])CCO3)ccc21	ZINC000828490030	594435185	/nfs/dbraw/zinc/43/51/85/594435185.db2.gz	XOZZYZMIEPPNJU-HNNXBMFYSA-N	-1	0	347.415	1.454	20	10		EDCDRM
COC(=O)/C=C/c1ccc(N(C)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000828646697	594471602	/nfs/dbraw/zinc/47/16/02/594471602.db2.gz	KYJDTMWMBFGPOY-FUEXJSSKSA-N	-1	0	349.343	1.970	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000829482985	594623438	/nfs/dbraw/zinc/62/34/38/594623438.db2.gz	BWGAJPQMFQTJPW-ZYHUDNBSSA-N	-1	0	338.360	1.347	20	10		EDCDRM
COc1ccc(N2CCCN(c3ncncc3C(=O)[O-])CC2)cc1	ZINC000844207266	595302160	/nfs/dbraw/zinc/30/21/60/595302160.db2.gz	FFIZEXZDJHOSCT-UHFFFAOYSA-N	-1	0	328.372	1.900	20	10		EDCDRM
C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCN1CCO	ZINC000844211549	595303448	/nfs/dbraw/zinc/30/34/48/595303448.db2.gz	CZAGRTUIDJXZID-OGOUPESXSA-N	-1	0	335.360	1.195	20	10		EDCDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	ZINC000874391123	597055273	/nfs/dbraw/zinc/05/52/73/597055273.db2.gz	MBLCVPYSCANPDL-GOSISDBHSA-N	-1	0	349.431	1.694	20	10		EDCDRM
O=C([O-])[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	ZINC000874412364	597066027	/nfs/dbraw/zinc/06/60/27/597066027.db2.gz	ATEYKFWIDHRBCN-QLFBSQMISA-N	-1	0	348.399	1.946	20	10		EDCDRM
CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1	ZINC000919813357	697339372	/nfs/dbraw/zinc/33/93/72/697339372.db2.gz	SPFWHWLRHWHTMO-UHFFFAOYSA-N	-1	0	328.390	1.015	20	10		EDCDRM
COc1cccc(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1O	ZINC000277236111	443945790	/nfs/dbraw/zinc/94/57/90/443945790.db2.gz	BXQMUXIPDDLXFX-UHFFFAOYSA-N	-1	0	334.294	1.474	20	10		EDCDRM
CC(=O)c1cc(F)cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1O	ZINC000364209983	445901368	/nfs/dbraw/zinc/90/13/68/445901368.db2.gz	LYAIYURIBRGGFK-DLBZAZTESA-N	-1	0	336.407	1.765	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c1	ZINC000734016343	578795403	/nfs/dbraw/zinc/79/54/03/578795403.db2.gz	KDZZXFLPTQQOBY-UHFFFAOYSA-N	-1	0	341.323	1.674	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)[C@@H](CCSC)NC(=O)[O-])c1	ZINC000739933734	579270126	/nfs/dbraw/zinc/27/01/26/579270126.db2.gz	ZWFCLLALMZCERR-LLVKDONJSA-N	-1	0	328.390	1.406	20	10		EDCDRM
COC(=O)c1nscc1S(=O)(=O)[N-]c1ccc(O)cc1C	ZINC000755971541	579939864	/nfs/dbraw/zinc/93/98/64/579939864.db2.gz	BFHUPSWMWGQEQK-UHFFFAOYSA-N	-1	0	328.371	1.745	20	10		EDCDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c([N+](=O)[O-])n1	ZINC000758168749	579976072	/nfs/dbraw/zinc/97/60/72/579976072.db2.gz	FMLMUCMDZYHPPO-UHFFFAOYSA-N	-1	0	330.297	1.457	20	10		EDCDRM
O=c1nc(NCc2cccc(Br)c2[O-])nc2[nH][nH]cc1-2	ZINC000764934020	580131584	/nfs/dbraw/zinc/13/15/84/580131584.db2.gz	HOPDRJKRMKAPDJ-UHFFFAOYSA-N	-1	0	336.149	1.512	20	10		EDCDRM
CCc1ncc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)OC)s1	ZINC000775287243	580387361	/nfs/dbraw/zinc/38/73/61/580387361.db2.gz	WUTHTPGNKRTYCQ-UHFFFAOYSA-N	-1	0	342.398	1.999	20	10		EDCDRM
C[C@H]1C[C@H](C)CN(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000775289289	580387385	/nfs/dbraw/zinc/38/73/85/580387385.db2.gz	UDZXYMSXRYYCIN-UWVGGRQHSA-N	-1	0	329.378	1.935	20	10		EDCDRM
C[C@H](O)c1cn(C2CN(Cc3cc(Cl)cc(F)c3[O-])C2)nn1	ZINC000779614209	580491382	/nfs/dbraw/zinc/49/13/82/580491382.db2.gz	QKMGFRZEOSXXIW-QMMMGPOBSA-N	-1	0	326.759	1.886	20	10		EDCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cn(Cc2cccnc2)nn1	ZINC000783708260	580604439	/nfs/dbraw/zinc/60/44/39/580604439.db2.gz	WTGZIXUVKDGNKC-SXGWCWSVSA-N	-1	0	346.350	1.183	20	10		EDCDRM
CN1C(=O)Cc2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc21	ZINC000788488402	580722693	/nfs/dbraw/zinc/72/26/93/580722693.db2.gz	IUIWHASJIVVDOO-UHFFFAOYSA-N	-1	0	344.352	1.543	20	10		EDCDRM
CS(=O)(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000811528755	590656421	/nfs/dbraw/zinc/65/64/21/590656421.db2.gz	GLTINIWTWHMOKS-UHFFFAOYSA-N	-1	0	338.212	1.892	20	10		EDCDRM
NC(=O)[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1	ZINC000893986194	591160249	/nfs/dbraw/zinc/16/02/49/591160249.db2.gz	HXXSJZNYQAWMIU-SNVBAGLBSA-N	-1	0	349.612	1.494	20	10		EDCDRM
C[C@H]1CN(C)C(=O)CN1Cc1cc(Br)cc(F)c1[O-]	ZINC000894534408	591336046	/nfs/dbraw/zinc/33/60/46/591336046.db2.gz	LYQFPEJEIJNTEQ-QMMMGPOBSA-N	-1	0	331.185	1.956	20	10		EDCDRM
CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1	ZINC000894740109	591404436	/nfs/dbraw/zinc/40/44/36/591404436.db2.gz	OMYLIHSFSDDKCV-GFCCVEGCSA-N	-1	0	334.388	1.526	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC000901977080	591875957	/nfs/dbraw/zinc/87/59/57/591875957.db2.gz	QTTYLVNRVOEMPB-GDBMZVCRSA-N	-1	0	334.416	1.947	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1	ZINC000908757459	592600833	/nfs/dbraw/zinc/60/08/33/592600833.db2.gz	AGCXPXLGKPUPKQ-LLVKDONJSA-N	-1	0	333.310	1.957	20	10		EDCDRM
Cc1nc(N(C)Cc2ccc(N3CCOCC3)cc2)ncc1C(=O)[O-]	ZINC000910276694	592818156	/nfs/dbraw/zinc/81/81/56/592818156.db2.gz	HYALLLMEUZLIQJ-UHFFFAOYSA-N	-1	0	342.399	1.956	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2cncn2C1	ZINC000911487167	592928732	/nfs/dbraw/zinc/92/87/32/592928732.db2.gz	BQJMWZVDTUKMHC-CYBMUJFWSA-N	-1	0	329.356	1.265	20	10		EDCDRM
COCc1ncc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)s1	ZINC000911488844	592929324	/nfs/dbraw/zinc/92/93/24/592929324.db2.gz	OGLDRNPQMSFWBA-UHFFFAOYSA-N	-1	0	336.369	1.722	20	10		EDCDRM
CON1CCC(CC(=O)N(CC(=O)[O-])Cc2ccccc2O)CC1	ZINC000911489071	592929360	/nfs/dbraw/zinc/92/93/60/592929360.db2.gz	OMCSRLIWUBIKAY-UHFFFAOYSA-N	-1	0	336.388	1.469	20	10		EDCDRM
C[C@@H]1CCO[C@@H]1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000911359986	593005836	/nfs/dbraw/zinc/00/58/36/593005836.db2.gz	JLYKIHUHDVOGMI-OTYXRUKQSA-N	-1	0	327.764	1.884	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](O)C1CCC1	ZINC000911360157	593005912	/nfs/dbraw/zinc/00/59/12/593005912.db2.gz	MVOMHGXJSNNAFR-AWEZNQCLSA-N	-1	0	327.764	1.620	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000830073171	594330986	/nfs/dbraw/zinc/33/09/86/594330986.db2.gz	OFHDXHMDSTVCNP-MRXNPFEDSA-N	-1	0	349.431	1.836	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCOC2)NC(=O)[O-])cc1	ZINC000828063745	594333381	/nfs/dbraw/zinc/33/33/81/594333381.db2.gz	IEFAZJAQVTZTAA-SWLSCSKDSA-N	-1	0	335.404	1.604	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)Cc2cc[nH]n2)NC(=O)[O-])cc1	ZINC000828064685	594333532	/nfs/dbraw/zinc/33/35/32/594333532.db2.gz	WBDLEZGLRXCOAT-AWEZNQCLSA-N	-1	0	331.376	1.143	20	10		EDCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccnn2C)NC(=O)[O-])cc1	ZINC000828064555	594333553	/nfs/dbraw/zinc/33/35/53/594333553.db2.gz	SJALOWPFCCSIGC-CYBMUJFWSA-N	-1	0	331.376	1.225	20	10		EDCDRM
CN(C)c1ccc(CN(C(=O)Cn2cc(C(=O)[O-])nn2)C2CC2)cc1	ZINC000830634878	594444263	/nfs/dbraw/zinc/44/42/63/594444263.db2.gz	DNQANSAHLIPVBV-UHFFFAOYSA-N	-1	0	343.387	1.234	20	10		EDCDRM
COc1cccc(CNC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c1O	ZINC000829558555	594640006	/nfs/dbraw/zinc/64/00/06/594640006.db2.gz	AEIHCGJUSQHWJF-BXKDBHETSA-N	-1	0	338.360	1.520	20	10		EDCDRM
O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	ZINC000832757505	594774518	/nfs/dbraw/zinc/77/45/18/594774518.db2.gz	GQXPGVCHFYDINH-ZDUSSCGKSA-N	-1	0	330.340	1.593	20	10		EDCDRM
COc1ccc(O)c(CNS(=O)(=O)c2ccsc2C(=O)[O-])c1	ZINC000833733412	594918441	/nfs/dbraw/zinc/91/84/41/594918441.db2.gz	HDHVXXPSOVOCHF-UHFFFAOYSA-N	-1	0	343.382	1.639	20	10		EDCDRM
CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)C(=O)[O-])cc2)CC1	ZINC000843332210	595077173	/nfs/dbraw/zinc/07/71/73/595077173.db2.gz	LGOMHJHFIJIFRC-UHFFFAOYSA-N	-1	0	347.415	1.082	20	10		EDCDRM
CN(C[C@H](O)COC[C@H]1CCCO1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279852	595195865	/nfs/dbraw/zinc/19/58/65/595195865.db2.gz	OFFFLYXBUYALHO-GOEBONIOSA-N	-1	0	339.388	1.143	20	10		EDCDRM
C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCN1CCO	ZINC000844211548	595303388	/nfs/dbraw/zinc/30/33/88/595303388.db2.gz	CZAGRTUIDJXZID-KTLBGCOUSA-N	-1	0	335.360	1.195	20	10		EDCDRM
CCC[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000739313487	601896911	/nfs/dbraw/zinc/89/69/11/601896911.db2.gz	CDLFUPRRGBPYSC-OAHLLOKOSA-N	-1	0	335.404	1.576	20	10		EDCDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000738930132	602623967	/nfs/dbraw/zinc/62/39/67/602623967.db2.gz	MCIBVYIIKVWQKU-GFCCVEGCSA-N	-1	0	334.420	1.867	20	10		EDCDRM
C[C@H]1CN(C(=O)[O-])CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000739153686	602839023	/nfs/dbraw/zinc/83/90/23/602839023.db2.gz	NWHFBBPKKOEVIC-AWEZNQCLSA-N	-1	0	344.415	1.957	20	10		EDCDRM
C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C(=O)[O-]	ZINC000739172252	603358511	/nfs/dbraw/zinc/35/85/11/603358511.db2.gz	KXOXXRWDZFACJY-AWEZNQCLSA-N	-1	0	348.447	1.395	20	10		EDCDRM
O=C([O-])CN1C(=O)/C(=C/c2cnn(-c3ccccc3)n2)SC1=S	ZINC000916568818	696681394	/nfs/dbraw/zinc/68/13/94/696681394.db2.gz	BOYFQTVRVJLVFN-WDZFZDKYSA-N	-1	0	346.393	1.553	20	10		EDCDRM
COCCN1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1=O	ZINC000365334461	446153732	/nfs/dbraw/zinc/15/37/32/446153732.db2.gz	ADNDQYLPGAETNP-UHFFFAOYSA-N	-1	0	330.787	1.865	20	10		EDCDRM
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1cccc(O)c1O	ZINC000365674809	446295687	/nfs/dbraw/zinc/29/56/87/446295687.db2.gz	LCNXRPSFKXJURU-LBPRGKRZSA-N	-1	0	328.372	1.534	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)CCCNC(=O)[O-])CC2)cc1	ZINC000738020363	579150603	/nfs/dbraw/zinc/15/06/03/579150603.db2.gz	AUEMNOAVURLATG-UHFFFAOYSA-N	-1	0	335.404	1.828	20	10		EDCDRM
CCN(CC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(=O)[O-]	ZINC000739390674	579199733	/nfs/dbraw/zinc/19/97/33/579199733.db2.gz	RWVCUHMDJHMBSN-UHFFFAOYSA-N	-1	0	335.404	1.734	20	10		EDCDRM
[O-]c1c(Cl)cc(Cl)cc1CN1CCn2c(CO)nnc2C1	ZINC000769514857	580238900	/nfs/dbraw/zinc/23/89/00/580238900.db2.gz	BQOJYGMJJDLIEY-UHFFFAOYSA-N	-1	0	329.187	1.799	20	10		EDCDRM
COc1c([O-])c(C[NH2+]Cc2cccc(C(N)=O)c2)ccc1[N+](=O)[O-]	ZINC000774951194	580378739	/nfs/dbraw/zinc/37/87/39/580378739.db2.gz	PTBBPBBEPOCNPY-UHFFFAOYSA-N	-1	0	331.328	1.698	20	10		EDCDRM
C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])O1)c1ccc(N2CCOCC2)cc1	ZINC000785401836	580642493	/nfs/dbraw/zinc/64/24/93/580642493.db2.gz	NTHJBCRRFRKUIV-APHBMKBZSA-N	-1	0	348.399	1.333	20	10		EDCDRM
COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(F)cc(F)c2[O-])C1	ZINC000894581137	591352010	/nfs/dbraw/zinc/35/20/10/591352010.db2.gz	JPZQUYZWTRUATJ-SMDDNHRTSA-N	-1	0	331.359	1.516	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000909043908	592715750	/nfs/dbraw/zinc/71/57/50/592715750.db2.gz	YFCCQGALPBTXKY-UHFFFAOYSA-N	-1	0	349.431	1.836	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N[C@H](CF)C(=O)[O-])C2)cc1	ZINC000909133340	592738001	/nfs/dbraw/zinc/73/80/01/592738001.db2.gz	DSFJKFSVUWPNNV-BXUZGUMPSA-N	-1	0	339.367	1.243	20	10		EDCDRM
COc1ccc(N2CCCN(C(=O)c3cc(C(=O)[O-])on3)CC2)cc1	ZINC000911246303	592967434	/nfs/dbraw/zinc/96/74/34/592967434.db2.gz	CUFFCEUTLXNEPZ-UHFFFAOYSA-N	-1	0	345.355	1.734	20	10		EDCDRM
O=S1(=O)CCN(Cc2cc3c(cc2O)OCO3)CCC12CCC2	ZINC000840180767	593343529	/nfs/dbraw/zinc/34/35/29/593343529.db2.gz	KECBXENCDYNIST-UHFFFAOYSA-N	-1	0	339.413	1.664	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000817888334	593645095	/nfs/dbraw/zinc/64/50/95/593645095.db2.gz	FIAHUEXSDNZMIY-AWEZNQCLSA-N	-1	0	347.415	1.034	20	10		EDCDRM
CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1O	ZINC000825946524	594288323	/nfs/dbraw/zinc/28/83/23/594288323.db2.gz	CNUBLTATQSLBJX-GFCCVEGCSA-N	-1	0	340.763	1.023	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])cc1	ZINC000828067743	594334028	/nfs/dbraw/zinc/33/40/28/594334028.db2.gz	LINXEKCCFDFNTD-ZFWWWQNUSA-N	-1	0	334.420	1.988	20	10		EDCDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000830155235	594346588	/nfs/dbraw/zinc/34/65/88/594346588.db2.gz	COLRQIMSVYFIMZ-VIFPVBQESA-N	-1	0	347.364	1.486	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)NC3CN(C(=O)[O-])C3)CC2)cc1	ZINC000829424982	594611817	/nfs/dbraw/zinc/61/18/17/594611817.db2.gz	WSYGOZANAJXEBI-UHFFFAOYSA-N	-1	0	348.403	1.325	20	10		EDCDRM
O=C([O-])N1CC(CC(=O)NCc2ccc(N3CCSCC3)cc2)C1	ZINC000831360541	594614931	/nfs/dbraw/zinc/61/49/31/594614931.db2.gz	JLBVANBHGYALHS-UHFFFAOYSA-N	-1	0	349.456	1.856	20	10		EDCDRM
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccn(CC(=O)[O-])n2)c1	ZINC000832425344	594749554	/nfs/dbraw/zinc/74/95/54/594749554.db2.gz	VAJHSROUNYLQOS-VIFPVBQESA-N	-1	0	334.332	1.565	20	10		EDCDRM
CC[C@@H](C)[C@@H](NC(=O)CN1CCOc2cc(N(C)C)ccc21)C(=O)[O-]	ZINC000833637181	594894517	/nfs/dbraw/zinc/89/45/17/594894517.db2.gz	CQWCYRSANQOSBI-SJKOYZFVSA-N	-1	0	349.431	1.567	20	10		EDCDRM
O=C([O-])/C=C\c1ccc(N2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000844210104	595303040	/nfs/dbraw/zinc/30/30/40/595303040.db2.gz	OEJSOWORTFTCEA-LSYFEZSPSA-N	-1	0	333.344	1.213	20	10		EDCDRM
COc1cc([N+](=O)[O-])c(N2CCSC[C@H](C(=O)[O-])C2)cc1OC	ZINC000844217198	595304626	/nfs/dbraw/zinc/30/46/26/595304626.db2.gz	FASHIZWRHXJUOH-SECBINFHSA-N	-1	0	342.373	1.866	20	10		EDCDRM
CCO[N-]C(=O)CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	ZINC000845533456	595513154	/nfs/dbraw/zinc/51/31/54/595513154.db2.gz	DAGZEVSTWJZEON-CYBMUJFWSA-N	-1	0	336.436	1.359	20	10		EDCDRM
COc1ccc(O)c(CNC(=O)c2n[n-]c3ccccc3c2=O)c1	ZINC000114542875	596053299	/nfs/dbraw/zinc/05/32/99/596053299.db2.gz	WMUADMIXTSSUNX-UHFFFAOYSA-N	-1	0	325.324	1.567	20	10		EDCDRM
COc1c(O)cccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000011291188	596104527	/nfs/dbraw/zinc/10/45/27/596104527.db2.gz	NWRVMAQRNHFGJM-UITAMQMPSA-N	-1	0	325.367	1.687	20	10		EDCDRM
C[C@H](NC(=O)N1CC(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1	ZINC000857097121	596156633	/nfs/dbraw/zinc/15/66/33/596156633.db2.gz	LWIZNHUKXGTABV-LBPRGKRZSA-N	-1	0	333.388	1.310	20	10		EDCDRM
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)CC(=O)[O-])cc1	ZINC000874963190	597224477	/nfs/dbraw/zinc/22/44/77/597224477.db2.gz	CIXSJHBMOPIIDJ-UHFFFAOYSA-N	-1	0	328.368	1.992	20	10		EDCDRM
O=C([O-])CC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	ZINC000325678323	602314484	/nfs/dbraw/zinc/31/44/84/602314484.db2.gz	QEICBJLOARTPCZ-UHFFFAOYSA-N	-1	0	335.316	1.617	20	10		EDCDRM
Cc1cc(C(=O)Nc2nnc(C3=S=CC=C3)[n-]2)ccc1[N+](=O)[O-]	ZINC000917128382	696951568	/nfs/dbraw/zinc/95/15/68/696951568.db2.gz	ZLAVJDKOLIDRFD-UHFFFAOYSA-N	-1	0	329.341	1.899	20	10		EDCDRM
COCCN(CC(=O)OC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000271202094	443495916	/nfs/dbraw/zinc/49/59/16/443495916.db2.gz	UUTCLEBUTWMRBV-UHFFFAOYSA-N	-1	0	332.740	1.575	20	10		EDCDRM
COc1ccc(N(CC(=O)NCC(=O)[O-])Cc2cccs2)cc1	ZINC000294662447	444134524	/nfs/dbraw/zinc/13/45/24/444134524.db2.gz	CSZPPDGOBCLAIW-UHFFFAOYSA-N	-1	0	334.397	1.964	20	10		EDCDRM
CC(C)OCc1cc([N-]S(=O)(=O)c2ccnn2C)ccc1O	ZINC000290440442	444281180	/nfs/dbraw/zinc/28/11/80/444281180.db2.gz	BWNKTHVKRYWKOF-UHFFFAOYSA-N	-1	0	325.390	1.852	20	10		EDCDRM
CC(C)n1cc(/C=C\c2nc3ccccc3c(=O)n2CC(=O)[O-])nn1	ZINC000672775750	486796834	/nfs/dbraw/zinc/79/68/34/486796834.db2.gz	YNXGQCNTQMXAMR-FPLPWBNLSA-N	-1	0	339.355	1.824	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCN2C(=O)[O-])cc1F	ZINC000739617776	579227001	/nfs/dbraw/zinc/22/70/01/579227001.db2.gz	JCKSVFWAPJRTLF-LBPRGKRZSA-N	-1	0	338.383	1.833	20	10		EDCDRM
COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H](C)NC(=O)[O-])c1	ZINC000739925004	579268603	/nfs/dbraw/zinc/26/86/03/579268603.db2.gz	GLJXNTORHNZONK-NXEZZACHSA-N	-1	0	325.365	1.807	20	10		EDCDRM
O=C([O-])NCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000739937614	579270778	/nfs/dbraw/zinc/27/07/78/579270778.db2.gz	BSIHZIGONGYDAD-UHFFFAOYSA-N	-1	0	339.367	1.061	20	10		EDCDRM
O=C1Cc2cc(NS(=O)(=O)c3cc(F)cc(F)c3[O-])ccc2N1	ZINC000753018149	579870714	/nfs/dbraw/zinc/87/07/14/579870714.db2.gz	UERBUMFYNUYNTJ-UHFFFAOYSA-N	-1	0	340.307	1.966	20	10		EDCDRM
CCOC(=O)[C@@H]1CN(Cc2cccc(Br)c2[O-])CCO1	ZINC000769465939	580237741	/nfs/dbraw/zinc/23/77/41/580237741.db2.gz	FYHOWVWHDWHDNY-LBPRGKRZSA-N	-1	0	344.205	1.919	20	10		EDCDRM
CC[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000780477499	580523971	/nfs/dbraw/zinc/52/39/71/580523971.db2.gz	AQRFXSPJRQESQR-SWLSCSKDSA-N	-1	0	335.404	1.747	20	10		EDCDRM
CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)nc1	ZINC000790416112	580769100	/nfs/dbraw/zinc/76/91/00/580769100.db2.gz	QUOWYWPZCWCAOV-UHFFFAOYSA-N	-1	0	336.369	1.937	20	10		EDCDRM
CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1	ZINC000799519703	581030480	/nfs/dbraw/zinc/03/04/80/581030480.db2.gz	OPXUJLWLEZPXAI-UHFFFAOYSA-N	-1	0	342.398	1.101	20	10		EDCDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000901961246	591878917	/nfs/dbraw/zinc/87/89/17/591878917.db2.gz	OTLJVDMNIUMUOG-PXAZEXFGSA-N	-1	0	334.441	1.967	20	10		EDCDRM
Oc1cccc(F)c1CNC(=S)NCCCN1CCOCC1	ZINC000905660201	592599781	/nfs/dbraw/zinc/59/97/81/592599781.db2.gz	FQXCIOBZTXHBSC-UHFFFAOYSA-N	-1	0	327.425	1.218	20	10		EDCDRM
Cn1nc2c(c1C(=O)N(CC(=O)[O-])Cc1ccccc1O)CCCC2	ZINC000911488240	592929201	/nfs/dbraw/zinc/92/92/01/592929201.db2.gz	IPMMWGOQNXLVLJ-UHFFFAOYSA-N	-1	0	343.383	1.732	20	10		EDCDRM
C[C@@H]1CCn2ncc(C(=O)N(CC(=O)[O-])Cc3ccccc3O)c2C1	ZINC000911492856	592930014	/nfs/dbraw/zinc/93/00/14/592930014.db2.gz	KMPPCJSZQVLCIT-GFCCVEGCSA-N	-1	0	343.383	1.898	20	10		EDCDRM
CN1CCCc2cc(CNC(=O)CC3(C(=O)[O-])CCOCC3)ccc21	ZINC000911302068	592984686	/nfs/dbraw/zinc/98/46/86/592984686.db2.gz	UINKATBDIUHIBP-UHFFFAOYSA-N	-1	0	346.427	1.957	20	10		EDCDRM
O=C([O-])C1(CC(=O)NCc2cc(Cl)ccc2O)CCOCC1	ZINC000911328807	592994440	/nfs/dbraw/zinc/99/44/40/592994440.db2.gz	BADWQBQNMGCENS-UHFFFAOYSA-N	-1	0	327.764	1.933	20	10		EDCDRM
C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])N1CCN(C)CC1	ZINC000807839544	593203042	/nfs/dbraw/zinc/20/30/42/593203042.db2.gz	HCXBVQXOAWNVGW-SNVBAGLBSA-N	-1	0	346.258	1.951	20	10		EDCDRM
Cn1cnnc1COCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000816682060	593540349	/nfs/dbraw/zinc/54/03/49/593540349.db2.gz	NRCCYTICANCBMC-UHFFFAOYSA-N	-1	0	345.186	1.661	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1	ZINC000817110096	593571121	/nfs/dbraw/zinc/57/11/21/593571121.db2.gz	VESGFDBGZYMCEI-AWEZNQCLSA-N	-1	0	347.415	1.082	20	10		EDCDRM
CC(C)(CCNC(=O)NCc1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000818625784	593708611	/nfs/dbraw/zinc/70/86/11/593708611.db2.gz	UHJZXGOOEAXPKM-UHFFFAOYSA-N	-1	0	349.431	1.823	20	10		EDCDRM
COc1cc(Br)cc(CN2CCO[C@@H](C(=O)[O-])C2)c1O	ZINC000820755087	593882848	/nfs/dbraw/zinc/88/28/48/593882848.db2.gz	WVEZWOITDLHFQU-LLVKDONJSA-N	-1	0	346.177	1.449	20	10		EDCDRM
Cc1c(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cnn1C	ZINC000829850526	594276418	/nfs/dbraw/zinc/27/64/18/594276418.db2.gz	RVWGHOBCJBAMIW-OAHLLOKOSA-N	-1	0	345.403	1.533	20	10		EDCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000830072305	594330611	/nfs/dbraw/zinc/33/06/11/594330611.db2.gz	CMKJXFPXNNCZES-HNNXBMFYSA-N	-1	0	335.404	1.446	20	10		EDCDRM
O=C(/C=C/c1ccc(O)c(O)c1)N1CC(CNC(=O)C(F)(F)F)C1	ZINC000831134882	594565263	/nfs/dbraw/zinc/56/52/63/594565263.db2.gz	QVTMXMOVMKYQIQ-DUXPYHPUSA-N	-1	0	344.289	1.248	20	10		EDCDRM
O=C([O-])NC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000832173352	594732307	/nfs/dbraw/zinc/73/23/07/594732307.db2.gz	VOPPXLNFWUJEOU-UHFFFAOYSA-N	-1	0	337.351	1.079	20	10		EDCDRM
O=C([O-])N1CC(CNC(=O)NCCCSc2nccs2)C1	ZINC000834039099	594997749	/nfs/dbraw/zinc/99/77/49/594997749.db2.gz	PSLYXNJGEPRNCK-UHFFFAOYSA-N	-1	0	330.435	1.534	20	10		EDCDRM
C[C@@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000843256796	595054019	/nfs/dbraw/zinc/05/40/19/595054019.db2.gz	HYPWVWQBFKIJIC-KWCYVHTRSA-N	-1	0	347.415	1.299	20	10		EDCDRM
COc1ccc(N2CCC(NC(=O)[C@H](C(=O)[O-])C3CC3)CC2)cc1	ZINC000852950507	595624816	/nfs/dbraw/zinc/62/48/16/595624816.db2.gz	IMMCVVHRQBWSAV-MRXNPFEDSA-N	-1	0	332.400	1.891	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H](C(=O)[O-])C3CC3)CC2)cc1F	ZINC000852951678	595626232	/nfs/dbraw/zinc/62/62/32/595626232.db2.gz	RUBSHRUTDXSOSN-HNNXBMFYSA-N	-1	0	336.363	1.594	20	10		EDCDRM
O=S(=O)(C[C@H]1CCCCO1)[N-]N=c1[nH]c2cccnc2s1	ZINC000857225014	596191009	/nfs/dbraw/zinc/19/10/09/596191009.db2.gz	DDIQKJROVNPGSL-SECBINFHSA-N	-1	0	328.419	1.507	20	10		EDCDRM
COC[C@H]1CCN(C(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)C1	ZINC000872931003	597129860	/nfs/dbraw/zinc/12/98/60/597129860.db2.gz	TYXNIPZVJXELNI-ZDUSSCGKSA-N	-1	0	336.388	1.081	20	10		EDCDRM
CCN(CC(F)F)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872969996	597144675	/nfs/dbraw/zinc/14/46/75/597144675.db2.gz	AVGDUWDOHBSVHZ-UHFFFAOYSA-N	-1	0	330.331	1.700	20	10		EDCDRM
CC(=O)c1cc(Cl)cc(CN2CCc3n[nH]c(=O)cc3C2)c1O	ZINC000274984393	443617181	/nfs/dbraw/zinc/61/71/81/443617181.db2.gz	MTNZZWCIQNHIKO-UHFFFAOYSA-N	-1	0	333.775	1.890	20	10		EDCDRM
COC(=O)C1(CS(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)CCC1	ZINC000291072103	443745200	/nfs/dbraw/zinc/74/52/00/443745200.db2.gz	IXFDWCGNKAZSPK-UHFFFAOYSA-N	-1	0	343.357	1.175	20	10		EDCDRM
C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C)S1(=O)=O	ZINC000290829804	444327795	/nfs/dbraw/zinc/32/77/95/444327795.db2.gz	HMCXJCPJFLAKAM-RKDXNWHRSA-N	-1	0	348.808	1.961	20	10		EDCDRM
O=C1CO[C@@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@H]2N1	ZINC000366766407	446341636	/nfs/dbraw/zinc/34/16/36/446341636.db2.gz	FTFLIIAFUNJKGI-ZYHUDNBSSA-N	-1	0	341.751	1.043	20	10		EDCDRM
CCN1C(=O)[C@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CCN2C1=O	ZINC000775736727	580399057	/nfs/dbraw/zinc/39/90/57/580399057.db2.gz	XFKBKQFLBMNGQJ-GFCCVEGCSA-N	-1	0	341.770	1.653	20	10		EDCDRM
NS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1	ZINC000785983986	580657426	/nfs/dbraw/zinc/65/74/26/580657426.db2.gz	AYIYDFIOVKHBNH-VIFPVBQESA-N	-1	0	325.217	1.562	20	10		EDCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)Nc1ccncc1	ZINC000788317417	580717179	/nfs/dbraw/zinc/71/71/79/580717179.db2.gz	FAIWQRIUNGWAGE-UHFFFAOYSA-N	-1	0	335.747	1.981	20	10		EDCDRM
COC(=O)[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCO1	ZINC000894002012	591164756	/nfs/dbraw/zinc/16/47/56/591164756.db2.gz	LAOZXFICNWMXPY-LLVKDONJSA-N	-1	0	348.168	1.668	20	10		EDCDRM
COC(=O)C(C)(C)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000894493480	591326116	/nfs/dbraw/zinc/32/61/16/591326116.db2.gz	BUKUBWOYFRGANS-UHFFFAOYSA-N	-1	0	328.359	1.740	20	10		EDCDRM
CCn1nc(C)c(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)n1	ZINC000840729423	591335382	/nfs/dbraw/zinc/33/53/82/591335382.db2.gz	BXVUCOMBKHUKFD-YFHOEESVSA-N	-1	0	340.430	1.672	20	10		EDCDRM
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1cccc(Cl)c1O	ZINC000896506611	591483319	/nfs/dbraw/zinc/48/33/19/591483319.db2.gz	WMBIPJYYCPJOTG-KCJUWKMLSA-N	-1	0	332.809	1.278	20	10		EDCDRM
O=S1(=O)CC[C@@]2(C1)CN(Cc1cc(F)cc(F)c1[O-])CCO2	ZINC000895078100	591570379	/nfs/dbraw/zinc/57/03/79/591570379.db2.gz	CVMSKIFJGYAAOF-AWEZNQCLSA-N	-1	0	333.356	1.060	20	10		EDCDRM
C[C@H](CN1CCOCC1)N(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000910375129	592849267	/nfs/dbraw/zinc/84/92/67/592849267.db2.gz	YJPIKJCAMHDPOR-RYWCDNDXSA-N	-1	0	349.387	1.850	20	10		EDCDRM
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c(OC)c1	ZINC000911164804	592943383	/nfs/dbraw/zinc/94/33/83/592943383.db2.gz	ANEJBYXAORDPJO-OLZOCXBDSA-N	-1	0	334.372	1.073	20	10		EDCDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1COCCO1	ZINC000804969172	593322385	/nfs/dbraw/zinc/32/23/85/593322385.db2.gz	DTMQOAIMUOQMMG-SNVBAGLBSA-N	-1	0	335.187	1.914	20	10		EDCDRM
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000817897449	593646706	/nfs/dbraw/zinc/64/67/06/593646706.db2.gz	PVMQTDHGALKJGQ-CQSZACIVSA-N	-1	0	348.399	1.454	20	10		EDCDRM
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000829718969	594247179	/nfs/dbraw/zinc/24/71/79/594247179.db2.gz	SZFWOFVRPSQTJI-LBPRGKRZSA-N	-1	0	328.434	1.625	20	10		EDCDRM
CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCOC2)NC(=O)[O-])cc1	ZINC000828063746	594333062	/nfs/dbraw/zinc/33/30/62/594333062.db2.gz	IEFAZJAQVTZTAA-WFASDCNBSA-N	-1	0	335.404	1.604	20	10		EDCDRM
COC(=O)[C@]1(F)CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000831093221	594554693	/nfs/dbraw/zinc/55/46/93/594554693.db2.gz	FGBIGXAOABQWHA-UJAVWCLSSA-N	-1	0	338.291	1.784	20	10		EDCDRM
CCC[C@](C)(O)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000826727135	594564876	/nfs/dbraw/zinc/56/48/76/594564876.db2.gz	BSGLAGRVNUUBEA-PBHICJAKSA-N	-1	0	337.420	1.729	20	10		EDCDRM
O=C([O-])N1CC[C@H](NC(=O)NCCCSc2nccs2)C1	ZINC000831680651	594692162	/nfs/dbraw/zinc/69/21/62/594692162.db2.gz	LJJZWMDCWAEDBI-VIFPVBQESA-N	-1	0	330.435	1.677	20	10		EDCDRM
O=C([O-])NC[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1	ZINC000832594888	594762402	/nfs/dbraw/zinc/76/24/02/594762402.db2.gz	IGWDOPHKXUTHRU-QMMMGPOBSA-N	-1	0	336.304	1.020	20	10		EDCDRM
CC(C)C[C@@H](NC(=O)CN1CCOc2cc(N(C)C)ccc21)C(=O)[O-]	ZINC000833476514	594855195	/nfs/dbraw/zinc/85/51/95/594855195.db2.gz	CFCPUVJWJLHPPE-CQSZACIVSA-N	-1	0	349.431	1.567	20	10		EDCDRM
CC[C@@H](C)[C@H](NC(=O)CN(C)c1ccc(OC)cc1OC)C(=O)[O-]	ZINC000833637472	594894559	/nfs/dbraw/zinc/89/45/59/594894559.db2.gz	DXDSJOYQBNZZHT-BZNIZROVSA-N	-1	0	338.404	1.756	20	10		EDCDRM
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1	ZINC000848611555	595417951	/nfs/dbraw/zinc/41/79/51/595417951.db2.gz	WLADXKGVJYDPEQ-CYBMUJFWSA-N	-1	0	349.431	1.328	20	10		EDCDRM
COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[C@H](C(=O)[O-])O3)C2)cc1	ZINC000849182610	595492009	/nfs/dbraw/zinc/49/20/09/595492009.db2.gz	HAPSCASXDYKPQT-NILFDRSVSA-N	-1	0	334.372	1.022	20	10		EDCDRM
Cc1cc(CCNC(=O)CCc2nnn[n-]2)c(C)n1-c1ccccc1	ZINC000864644191	596294857	/nfs/dbraw/zinc/29/48/57/596294857.db2.gz	FLJVGKXXRZCXTO-UHFFFAOYSA-N	-1	0	338.415	1.899	20	10		EDCDRM
O=C(NCCc1ccc(O)c(O)c1)c1nn(-c2ccccc2)cc1[O-]	ZINC000122010447	596691593	/nfs/dbraw/zinc/69/15/93/596691593.db2.gz	RONGDOIUSHKVMK-UHFFFAOYSA-N	-1	0	339.351	1.962	20	10		EDCDRM
COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)cc1	ZINC000874404085	597062906	/nfs/dbraw/zinc/06/29/06/597062906.db2.gz	AUIDMKJSJAXUDY-MCIONIFRSA-N	-1	0	347.415	1.684	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)c2c(C)noc2C)cc1	ZINC000872961504	597141106	/nfs/dbraw/zinc/14/11/06/597141106.db2.gz	XJKPDRSOEWYOIF-UHFFFAOYSA-N	-1	0	347.371	1.854	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)CC2=CCCOC2)cc1	ZINC000872984033	597150487	/nfs/dbraw/zinc/15/04/87/597150487.db2.gz	HVJZXCKVEHJLFH-UHFFFAOYSA-N	-1	0	348.399	1.391	20	10		EDCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@]23C[C@H]2COC3(C)C)cc1	ZINC000872987426	597151756	/nfs/dbraw/zinc/15/17/56/597151756.db2.gz	MWRGURGLGJCIMG-KPZWWZAWSA-N	-1	0	348.399	1.270	20	10		EDCDRM
CCN(C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1)[C@H]1CCOC1	ZINC000872993344	597153485	/nfs/dbraw/zinc/15/34/85/597153485.db2.gz	ZQWLXXIBWXKQJJ-AWEZNQCLSA-N	-1	0	336.388	1.224	20	10		EDCDRM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCOC[C@H]2C)c1	ZINC000124579587	597313847	/nfs/dbraw/zinc/31/38/47/597313847.db2.gz	QWUCYYVAWQQIPU-CQSZACIVSA-N	-1	0	348.443	1.648	20	10		EDCDRM
O=C1NCCn2c(CNCc3cc(Cl)cc(Cl)c3[O-])nnc21	ZINC000883295776	597704093	/nfs/dbraw/zinc/70/40/93/597704093.db2.gz	SIAWMVWFHVWGQW-UHFFFAOYSA-N	-1	0	342.186	1.324	20	10		EDCDRM
C[C@H]1CS(=O)(=O)CCN1Cc1cccc(Br)c1[O-]	ZINC000179773032	698340628	/nfs/dbraw/zinc/34/06/28/698340628.db2.gz	MFIKLQXEOKTBBJ-VIFPVBQESA-N	-1	0	334.235	1.774	20	10		EDCDRM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2F)ccc1[O-]	ZINC000386888375	703458365	/nfs/dbraw/zinc/45/83/65/703458365.db2.gz	DZFRMJJFOORDMZ-UHFFFAOYSA-N	-1	0	328.277	1.946	20	10		EDCDRM
CN1CCc2cc(CNS(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc21	ZINC000373611452	250241490	/nfs/dbraw/zinc/24/14/90/250241490.db2.gz	VKMUBCHGHVSODQ-UHFFFAOYSA-N	-1	0	346.408	1.856	20	10		EDCDRM
COC(=O)[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000378337286	447418485	/nfs/dbraw/zinc/41/84/85/447418485.db2.gz	ARDLBJNNOJJFBV-JQWIXIFHSA-N	-1	0	344.751	1.716	20	10		EDCDRM
COc1c(O)c(C[N@@H+]2CCC[C@H](OCCO)C2)ccc1[N+](=O)[O-]	ZINC000278234176	444120720	/nfs/dbraw/zinc/12/07/20/444120720.db2.gz	NCACIATYZVKAJQ-LBPRGKRZSA-N	-1	0	326.349	1.282	20	10		EDCDRM
O=C1N[C@@H](c2cccc(Br)c2[O-])N2CCSC[C@H]12	ZINC000765516947	580144600	/nfs/dbraw/zinc/14/46/00/580144600.db2.gz	PDECSSWIPXSWGM-MWLCHTKSSA-N	-1	0	329.219	1.701	20	10		EDCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC000775287501	580387339	/nfs/dbraw/zinc/38/73/39/580387339.db2.gz	NQSLSFQRHMKFHY-UHFFFAOYSA-N	-1	0	339.373	1.757	20	10		EDCDRM
C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cccc(O)c2O)C1=O	ZINC000790890780	580780734	/nfs/dbraw/zinc/78/07/34/580780734.db2.gz	UAVMVPNYHMIFEK-KRWDZBQOSA-N	-1	0	341.323	1.210	20	10		EDCDRM
CN1Cc2cccc([N-]S(=O)(=O)c3cccc4nonc43)c2C1	ZINC000794043186	580867425	/nfs/dbraw/zinc/86/74/25/580867425.db2.gz	RECSDGHFQQBSPT-UHFFFAOYSA-N	-1	0	330.369	1.969	20	10		EDCDRM
CN(C)c1ccc(CNC(=O)N2CCSC[C@@H]2C(=O)[O-])cc1F	ZINC000797715249	580979578	/nfs/dbraw/zinc/97/95/78/580979578.db2.gz	LRTQPDDCIMRSAL-CYBMUJFWSA-N	-1	0	341.408	1.603	20	10		EDCDRM
CC[C@H](NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)[O-]	ZINC000909132634	592737985	/nfs/dbraw/zinc/73/79/85/592737985.db2.gz	VYQWNKHDELSOIN-DOMZBBRYSA-N	-1	0	335.404	1.684	20	10		EDCDRM
COc1ccc(N2CCN(c3ncncc3C(=O)[O-])CC2)c(OC)c1	ZINC000910339552	592837787	/nfs/dbraw/zinc/83/77/87/592837787.db2.gz	HDMMLEYTGDKTHK-UHFFFAOYSA-N	-1	0	344.371	1.519	20	10		EDCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)c1scc2c1OCCO2	ZINC000911493334	592930488	/nfs/dbraw/zinc/93/04/88/592930488.db2.gz	MYKWGODQGFAQLD-UHFFFAOYSA-N	-1	0	349.364	1.952	20	10		EDCDRM
CN(C)c1ccc(CN(C)C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cc1	ZINC000911118210	592936967	/nfs/dbraw/zinc/93/69/67/592936967.db2.gz	KOSFANHZVPDVQF-GOEBONIOSA-N	-1	0	334.416	1.981	20	10		EDCDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)O1	ZINC000911555522	592944742	/nfs/dbraw/zinc/94/47/42/592944742.db2.gz	LCWJXOJTOUOESR-MNOVXSKESA-N	-1	0	344.161	1.403	20	10		EDCDRM
CS(=O)(=O)CCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807839764	593202994	/nfs/dbraw/zinc/20/29/94/593202994.db2.gz	LBXNQADZTJLLBJ-UHFFFAOYSA-N	-1	0	326.201	1.750	20	10		EDCDRM