smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-n2c(=S)[n-]c(=O)c3c2NCN(C(C)C)C3)cc1	ZINC000020567587	202048887	/nfs/dbraw/zinc/04/88/87/202048887.db2.gz	ZLZNYTNAZPJXJN-UHFFFAOYSA-N	-1	1	332.429	2.497	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Cl)o1	ZINC000031486835	202206072	/nfs/dbraw/zinc/20/60/72/202206072.db2.gz	YIUGKLJIODZHLP-SECBINFHSA-N	-1	1	342.804	2.332	50	0		EEAAMM
CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000032502292	202225391	/nfs/dbraw/zinc/22/53/91/202225391.db2.gz	AAKURRUKBFRTGM-UHFFFAOYSA-N	-1	1	345.424	2.240	50	0		EEAAMM
Cc1cnn(C2(C(=O)[O-])CCN(Cc3cc(CC(C)C)n[nH]3)CC2)c1	ZINC000072473568	203230824	/nfs/dbraw/zinc/23/08/24/203230824.db2.gz	YMRSSEYJVSTFMN-UHFFFAOYSA-N	-1	1	345.447	2.189	50	0		EEAAMM
CC(C)(C)c1ccc(NC(=O)CSc2nc(N)cc(=O)[n-]2)cc1	ZINC000011902992	211264983	/nfs/dbraw/zinc/26/49/83/211264983.db2.gz	PZCMJIOFGDEBOJ-UHFFFAOYSA-N	-1	1	332.429	2.380	50	0		EEAAMM
O=c1[n-]c(=S)n(Cc2cccnc2)c2c1CN(C1CCCC1)CN2	ZINC000020479392	285195059	/nfs/dbraw/zinc/19/50/59/285195059.db2.gz	MYETUXORBWEPAY-UHFFFAOYSA-N	-1	1	343.456	2.477	50	0		EEAAMM
Cc1cc(C(=O)[N-]c2nnc(-c3ccc4c(c3)OCCO4)o2)no1	ZINC000009204671	280375251	/nfs/dbraw/zinc/37/52/51/280375251.db2.gz	GKHPXWJQFMSMKY-UHFFFAOYSA-N	-1	1	328.284	2.057	50	0		EEAAMM
CC[C@@H](Sc1nc(N)cc(=O)[n-]1)C(=O)N[C@H](C)c1ccccc1	ZINC000000467807	462564661	/nfs/dbraw/zinc/56/46/61/462564661.db2.gz	SMMIZXBUSRAFQG-ZYHUDNBSSA-N	-1	1	332.429	2.100	50	0		EEAAMM
COc1cc(OC)cc(C(=O)OCC(=O)c2ccc([O-])cc2O)c1	ZINC000003333319	462617578	/nfs/dbraw/zinc/61/75/78/462617578.db2.gz	KBDZLMBQXAPRIW-UHFFFAOYSA-N	-1	1	332.308	2.155	50	0		EEAAMM
CCCN1C(=O)N/C(=C/c2ccc([O-])c(Br)c2)C1=O	ZINC000004814911	462638812	/nfs/dbraw/zinc/63/88/12/462638812.db2.gz	ZQGIUPCGACLOMT-JXMROGBWSA-N	-1	1	325.162	2.457	50	0		EEAAMM
O=C(COC(=O)c1ccc2c(c1)OCCCO2)c1ccc([O-])cc1O	ZINC000009077019	462799182	/nfs/dbraw/zinc/79/91/82/462799182.db2.gz	VNMWWUWPTMYGTO-UHFFFAOYSA-N	-1	1	344.319	2.299	50	0		EEAAMM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)cc1	ZINC000012544771	462855687	/nfs/dbraw/zinc/85/56/87/462855687.db2.gz	HGKQHYWFOSEKKC-UHFFFAOYSA-N	-1	1	345.380	2.297	50	0		EEAAMM
COCc1cc(CNc2ncnc3sc(C(=O)[O-])c(C)c32)n[nH]1	ZINC000067605534	463025186	/nfs/dbraw/zinc/02/51/86/463025186.db2.gz	DBYOTNHVXRIXKV-UHFFFAOYSA-N	-1	1	333.373	2.180	50	0		EEAAMM
COc1ccccc1NC(=O)c1cnn(-c2nc(C)cc(=O)[n-]2)c1C	ZINC000035598413	463432935	/nfs/dbraw/zinc/43/29/35/463432935.db2.gz	PGICTBIOBXRBPZ-UHFFFAOYSA-N	-1	1	339.355	2.246	50	0		EEAAMM
CCn1nc(C)c([C@@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)c1C	ZINC000823593481	798745651	/nfs/dbraw/zinc/74/56/51/798745651.db2.gz	YSODSKAEHGWVCM-SECBINFHSA-N	-1	1	329.404	2.384	50	0		EEAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C)cc1	ZINC000021156093	202063562	/nfs/dbraw/zinc/06/35/62/202063562.db2.gz	ZFCUTIGGVXLTPV-UHFFFAOYSA-N	-1	1	348.380	2.331	50	0		EEAAMM
NC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1Cl	ZINC000022064755	212274455	/nfs/dbraw/zinc/27/44/55/212274455.db2.gz	OPUULXFEYDRFPC-UHFFFAOYSA-N	-1	1	328.752	2.379	50	0		EEAAMM
CCCCOC(=O)N1CCc2c(nc(-c3ccncc3)[n-]c2=O)C1	ZINC000072151525	203172823	/nfs/dbraw/zinc/17/28/23/203172823.db2.gz	GFGLBALVMQYMEL-UHFFFAOYSA-N	-1	1	328.372	2.127	50	0		EEAAMM
O=C([O-])[C@@H]1Cc2nc[nH]c2CN1C(=O)c1csc2c1CCCC2	ZINC000096179596	304150641	/nfs/dbraw/zinc/15/06/41/304150641.db2.gz	UUNFSAWXOGKCEN-ZDUSSCGKSA-N	-1	1	331.397	2.002	50	0		EEAAMM
COc1ccc(C(=O)C=C([O-])C(=O)Nc2ccccc2OC)cc1	ZINC000101354883	204004670	/nfs/dbraw/zinc/00/46/70/204004670.db2.gz	NCHXIBWKNWUTPD-UHFFFAOYSA-N	-1	1	327.336	2.484	50	0		EEAAMM
Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)NCc2cc(C(C)(C)C)n[nH]2)n1	ZINC000299796262	258100263	/nfs/dbraw/zinc/10/02/63/258100263.db2.gz	NLYWPEWSTPDSQL-JTQLQIEISA-N	-1	1	349.460	2.308	50	0		EEAAMM
O=S1(=O)N=C2CCCCCN2[C@@H](c2ccc(OC(F)F)cc2)[N-]1	ZINC000006848364	304796716	/nfs/dbraw/zinc/79/67/16/304796716.db2.gz	AIYAKMCHYNGAIK-ZDUSSCGKSA-N	-1	1	345.371	2.409	50	0		EEAAMM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C)ccc1F	ZINC000009526606	462804380	/nfs/dbraw/zinc/80/43/80/462804380.db2.gz	LOGZWKANKUEASX-UHFFFAOYSA-N	-1	1	336.344	2.380	50	0		EEAAMM
CONC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1	ZINC000012541823	462855628	/nfs/dbraw/zinc/85/56/28/462855628.db2.gz	NXKJJSNWLGGTOL-UHFFFAOYSA-N	-1	1	334.397	2.395	50	0		EEAAMM
O=C(c1cnc(-c2cccnc2)[n-]c1=O)N1CC[C@H]1c1ccccc1	ZINC000091620894	462893150	/nfs/dbraw/zinc/89/31/50/462893150.db2.gz	JLAYGZFMMWBWRZ-INIZCTEOSA-N	-1	1	332.363	2.419	50	0		EEAAMM
O=C(c1ccc([O-])cn1)N1CCn2nc(Cc3ccccc3)cc2C1	ZINC000096165644	463193273	/nfs/dbraw/zinc/19/32/73/463193273.db2.gz	VTGLNVROHHWHJZ-UHFFFAOYSA-N	-1	1	334.379	2.231	50	0		EEAAMM
COc1cccc([N-]S(=O)(=O)c2ccc(CNC(C)=O)cc2)c1	ZINC000028776087	463233224	/nfs/dbraw/zinc/23/32/24/463233224.db2.gz	PVQGWNXOIGRONI-UHFFFAOYSA-N	-1	1	334.397	2.132	50	0		EEAAMM
Cc1csc2nc([O-])c(C(=O)NCCCc3ccccc3)c(=O)n12	ZINC000096298838	463234311	/nfs/dbraw/zinc/23/43/11/463234311.db2.gz	VDCSZLSNSOPMNQ-UHFFFAOYSA-N	-1	1	343.408	2.133	50	0		EEAAMM
C[C@@H](CN(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1nn[n-]n1	ZINC000124169402	463395259	/nfs/dbraw/zinc/39/52/59/463395259.db2.gz	DXLRCNABOPDKDC-NSHDSACASA-N	-1	1	345.403	2.031	50	0		EEAAMM
COc1ccccc1N1CCN(C(=O)c2ncccc2[O-])[C@H](C)C1	ZINC000072474489	1286345743	/nfs/dbraw/zinc/34/57/43/1286345743.db2.gz	SMCBHWOITWKZBA-CYBMUJFWSA-N	-1	1	327.384	2.147	50	0		EEAAMM
CC(C)[C@@H]1CN(C(=O)CCc2n[nH]c3c2CCCC3)C[C@H]1C(=O)[O-]	ZINC000219561766	785797156	/nfs/dbraw/zinc/79/71/56/785797156.db2.gz	IUGJMJIQIAIRLZ-UONOGXRCSA-N	-1	1	333.432	2.036	50	0		EEAAMM
CCN(C(=O)c1ccc(S(=O)(=O)[N-]C2CC2)o1)c1ccccc1	ZINC000024864562	202123189	/nfs/dbraw/zinc/12/31/89/202123189.db2.gz	IGGGGKIACNUQCY-UHFFFAOYSA-N	-1	1	334.397	2.387	50	0		EEAAMM
CC(C)(C)CN1C[C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)CC1=O	ZINC000072172429	203180735	/nfs/dbraw/zinc/18/07/35/203180735.db2.gz	BFXZDXPMZNIVDO-LBPRGKRZSA-N	-1	1	338.835	2.351	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)NCc2ccc(OC)cc2)n1	ZINC000010077244	211146235	/nfs/dbraw/zinc/14/62/35/211146235.db2.gz	XURHTCSWPATNGN-UHFFFAOYSA-N	-1	1	347.440	2.140	50	0		EEAAMM
O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000000432112	462563966	/nfs/dbraw/zinc/56/39/66/462563966.db2.gz	VOHKWKCJOFGEHA-UHFFFAOYSA-N	-1	1	330.365	2.141	50	0		EEAAMM
Cc1cc(NC(=O)CCc2ccccc2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000007419134	462735124	/nfs/dbraw/zinc/73/51/24/462735124.db2.gz	HOSRULXZOGIGJT-UHFFFAOYSA-N	-1	1	337.383	2.144	50	0		EEAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)c1	ZINC000008961548	462797045	/nfs/dbraw/zinc/79/70/45/462797045.db2.gz	HXSTUEUCPSIUEC-UHFFFAOYSA-N	-1	1	346.408	2.260	50	0		EEAAMM
Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(CCO)c(=O)[n-]2)cc1	ZINC000012697189	462863527	/nfs/dbraw/zinc/86/35/27/462863527.db2.gz	ATTRZQHBEGDVLT-GFCCVEGCSA-N	-1	1	347.440	2.041	50	0		EEAAMM
Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1	ZINC000015941758	462967101	/nfs/dbraw/zinc/96/71/01/462967101.db2.gz	APYYXNFKAFNCGA-UHFFFAOYSA-N	-1	1	332.381	2.435	50	0		EEAAMM
O=C(C[C@H](c1ccccc1)c1ccc(F)cc1)NCCc1nn[n-]n1	ZINC000055060566	463281614	/nfs/dbraw/zinc/28/16/14/463281614.db2.gz	NMWPAQMARUHZHV-MRXNPFEDSA-N	-1	1	339.374	2.220	50	0		EEAAMM
CC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCC3)cc1	ZINC000035289538	463431639	/nfs/dbraw/zinc/43/16/39/463431639.db2.gz	DFIWCOPQYGTSOO-UHFFFAOYSA-N	-1	1	343.408	2.192	50	0		EEAAMM
O=C([O-])c1ccc(CNC(=O)CN2CC[C@H](c3ccccc3)C2)o1	ZINC000221420857	464122565	/nfs/dbraw/zinc/12/25/65/464122565.db2.gz	CUYKFLXMXMAOQB-AWEZNQCLSA-N	-1	1	328.368	2.084	50	0		EEAAMM
CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1nccs1)C2	ZINC000067755053	215202833	/nfs/dbraw/zinc/20/28/33/215202833.db2.gz	LDSUFIZOYYVUFS-LLVKDONJSA-N	-1	1	334.445	2.437	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)o1	ZINC000025125172	202127000	/nfs/dbraw/zinc/12/70/00/202127000.db2.gz	IJHHKOLHAGLSCR-INIZCTEOSA-N	-1	1	348.424	2.377	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)N2CC[C@@H](c3ccccc3F)C2)n1	ZINC000077407565	203387564	/nfs/dbraw/zinc/38/75/64/203387564.db2.gz	PGZCWNIZJBNENO-GFCCVEGCSA-N	-1	1	347.415	2.326	50	0		EEAAMM
C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2NC1=O	ZINC000007729258	206526586	/nfs/dbraw/zinc/52/65/86/206526586.db2.gz	ZHXLJWQZKBZDCO-SECBINFHSA-N	-1	1	336.344	2.346	50	0		EEAAMM
C[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2nc3ccc(Cl)cc3[nH]2)C1	ZINC000299759519	258076721	/nfs/dbraw/zinc/07/67/21/258076721.db2.gz	OBCJESLUYSJJMG-MRXNPFEDSA-N	-1	1	335.791	2.472	50	0		EEAAMM
COc1cccc(C[C@@H](C(=O)Nc2ccc(F)cc2)c2nn[n-]n2)c1	ZINC000004169499	462629595	/nfs/dbraw/zinc/62/95/95/462629595.db2.gz	ZXLIKULBOMFUQM-OAHLLOKOSA-N	-1	1	341.346	2.312	50	0		EEAAMM
COc1ccc(NC(=O)[C@H](Cc2cccc(C)c2)c2nn[n-]n2)cc1	ZINC000006556971	462691360	/nfs/dbraw/zinc/69/13/60/462691360.db2.gz	CAURSVOYNSIBQT-MRXNPFEDSA-N	-1	1	337.383	2.482	50	0		EEAAMM
Cc1nc(SCC(=O)N2CCCc3ccccc32)[n-]c(=O)c1C	ZINC000010382491	462818291	/nfs/dbraw/zinc/81/82/91/462818291.db2.gz	YCDIJLGRJHTCCR-UHFFFAOYSA-N	-1	1	329.425	2.458	50	0		EEAAMM
CSc1nc(C)c(CCC(=O)NCc2ccccc2F)c(=O)[n-]1	ZINC000012927227	462876314	/nfs/dbraw/zinc/87/63/14/462876314.db2.gz	LDHPBUWVEYJWBY-UHFFFAOYSA-N	-1	1	335.404	2.188	50	0		EEAAMM
CN(C)[C@H](C(=O)N(C)CC(=O)c1ccc([O-])cc1)c1cccc(F)c1	ZINC000091486663	462885380	/nfs/dbraw/zinc/88/53/80/462885380.db2.gz	SEANQTYVLRYRLO-SFHVURJKSA-N	-1	1	344.386	2.475	50	0		EEAAMM
Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1	ZINC000015941756	462966260	/nfs/dbraw/zinc/96/62/60/462966260.db2.gz	QHAMVCVFLAVRQC-UHFFFAOYSA-N	-1	1	332.381	2.435	50	0		EEAAMM
O=C(CSc1nnnn1Cc1ccccc1)c1ccc([O-])cc1O	ZINC000016447315	462979511	/nfs/dbraw/zinc/97/95/11/462979511.db2.gz	PXQASCQWRCDQQN-UHFFFAOYSA-N	-1	1	342.380	2.108	50	0		EEAAMM
Cc1cc2cc(C(=O)N3Cc4[nH]cnc4C[C@H]3C(=O)[O-])ccc2o1	ZINC000096136737	463185213	/nfs/dbraw/zinc/18/52/13/463185213.db2.gz	XGMKOIIYXSFYGF-AWEZNQCLSA-N	-1	1	325.324	2.116	50	0		EEAAMM
CC(C)(C)OC(=O)N1CCN(C[C@H](C(=O)[O-])c2ccccc2)CC1	ZINC000029753816	463272704	/nfs/dbraw/zinc/27/27/04/463272704.db2.gz	BBMNXLMHULBUDC-HNNXBMFYSA-N	-1	1	334.416	2.408	50	0		EEAAMM
CC[C@@H](C(=O)Nc1nn2c([n-]1)nc(C)c(C)c2=O)c1ccccc1	ZINC000101809761	463382430	/nfs/dbraw/zinc/38/24/30/463382430.db2.gz	PKWYNGKNGDBYSE-CYBMUJFWSA-N	-1	1	325.372	2.167	50	0		EEAAMM
O=C([O-])CCN1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1	ZINC000324771023	1409868896	/nfs/dbraw/zinc/86/88/96/1409868896.db2.gz	CMMBVMTUKOCDMS-UHFFFAOYSA-N	-1	1	334.460	2.212	50	0		EEAAMM
Cc1cc([C@H](C(=O)[O-])N2CCCN(C(=O)C3CC3)CC2)ccc1F	ZINC001506411292	1114599993	/nfs/dbraw/zinc/59/99/93/1114599993.db2.gz	XZPBGDZLXTVALY-MRXNPFEDSA-N	-1	1	334.391	2.204	50	0		EEAAMM
Cn1cnc(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)c1Cl	ZINC000037984274	202077275	/nfs/dbraw/zinc/07/72/75/202077275.db2.gz	JIEACCBPIRSPQU-LBPRGKRZSA-N	-1	1	325.821	2.429	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)o1	ZINC000031484305	202206332	/nfs/dbraw/zinc/20/63/32/202206332.db2.gz	WHOWNNGALJCFIW-VIFPVBQESA-N	-1	1	342.804	2.332	50	0		EEAAMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1	ZINC000032591560	202228111	/nfs/dbraw/zinc/22/81/11/202228111.db2.gz	TVJBHVBCACATAE-UHFFFAOYSA-N	-1	1	331.353	2.150	50	0		EEAAMM
Cc1csc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1	ZINC000032914348	202241381	/nfs/dbraw/zinc/24/13/81/202241381.db2.gz	ZQCQRTKRLSPTLR-UHFFFAOYSA-N	-1	1	343.430	2.374	50	0		EEAAMM
Cc1[n-][nH]c(=O)c1CC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1	ZINC000244595061	243042003	/nfs/dbraw/zinc/04/20/03/243042003.db2.gz	DNXRTOMAOIODEQ-ZDUSSCGKSA-N	-1	1	347.390	2.011	50	0		EEAAMM
O=c1cc(CNCc2ccccc2)nc2[n-]c(-c3cccs3)nn21	ZINC000101842049	204024885	/nfs/dbraw/zinc/02/48/85/204024885.db2.gz	QUEDUKKYDKPISR-UHFFFAOYSA-N	-1	1	337.408	2.436	50	0		EEAAMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000004411719	462631424	/nfs/dbraw/zinc/63/14/24/462631424.db2.gz	DLHARSGJODOHGT-UHFFFAOYSA-N	-1	1	348.380	2.217	50	0		EEAAMM
CCc1c(C)nc(SCC(=O)NCCc2ccccc2)[n-]c1=O	ZINC000005021634	462643758	/nfs/dbraw/zinc/64/37/58/462643758.db2.gz	DZDVXAABYOTUEL-UHFFFAOYSA-N	-1	1	331.441	2.092	50	0		EEAAMM
CCOc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCC3)cc1	ZINC000008844156	462796290	/nfs/dbraw/zinc/79/62/90/462796290.db2.gz	MHCFKOHIHPGGBY-UHFFFAOYSA-N	-1	1	345.424	2.388	50	0		EEAAMM
COc1ccc(C)cc1NC(=O)CSc1nc2c(c(=O)[n-]1)CCC2	ZINC000011902843	462840995	/nfs/dbraw/zinc/84/09/95/462840995.db2.gz	SJRZULHJFVEFAB-UHFFFAOYSA-N	-1	1	345.424	2.306	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)N2CCc3ccccc3C2)n1	ZINC000012138909	462845005	/nfs/dbraw/zinc/84/50/05/462845005.db2.gz	ASNIBKKNCOXOEX-UHFFFAOYSA-N	-1	1	343.452	2.399	50	0		EEAAMM
CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000012526044	462854094	/nfs/dbraw/zinc/85/40/94/462854094.db2.gz	WFRLYALGRXLOBU-UHFFFAOYSA-N	-1	1	326.324	2.125	50	0		EEAAMM
CCCO[C@@H]1CCCN(C(=O)c2cnc(-c3ccccn3)[n-]c2=O)C1	ZINC000092001375	462917289	/nfs/dbraw/zinc/91/72/89/462917289.db2.gz	PTFGDKMFBMVKKR-CYBMUJFWSA-N	-1	1	342.399	2.275	50	0		EEAAMM
O=C([O-])[C@]12COC[C@H]1C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C2	ZINC000665344672	472013073	/nfs/dbraw/zinc/01/30/73/472013073.db2.gz	RWJDPQVJVAFVHF-BXUZGUMPSA-N	-1	1	333.281	2.378	50	0		EEAAMM
O=C([O-])[C@]12COC[C@H]1CN(Cc1cc(C(F)(F)F)ccc1F)C2	ZINC000665344672	472013078	/nfs/dbraw/zinc/01/30/78/472013078.db2.gz	RWJDPQVJVAFVHF-BXUZGUMPSA-N	-1	1	333.281	2.378	50	0		EEAAMM
CC(=O)N1C(=S)[N-]C(=O)C1=Cc1cc2cccc(C)c2[nH]c1=O	ZINC000035442278	202303219	/nfs/dbraw/zinc/30/32/19/202303219.db2.gz	NYDLKYOSCPTZGV-GHXNOFRVSA-N	-1	1	327.365	2.281	50	0		EEAAMM
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(O)cc(C)oc1=O	ZINC000218005663	241289320	/nfs/dbraw/zinc/28/93/20/241289320.db2.gz	VWFSUIYOGQIHJB-GFCCVEGCSA-N	-1	1	332.308	2.047	50	0	biogenic	EEAAMM
COc1cc(OC)cc(-c2nnc([N-]C(=O)c3cc(C)on3)o2)c1	ZINC000009204585	201480228	/nfs/dbraw/zinc/48/02/28/201480228.db2.gz	QVWMLDNEBVBZEA-UHFFFAOYSA-N	-1	1	330.300	2.303	50	0		EEAAMM
O=C([O-])COc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1C(=O)[O-]	ZINC000244619978	243045147	/nfs/dbraw/zinc/04/51/47/243045147.db2.gz	FJPFWHLJSXUOKC-LBPRGKRZSA-N	-1	1	327.764	2.243	50	0		EEAAMM
Cc1cc(C[C@@H](C)Nc2nccc(-c3cc(C(=O)[O-])ccn3)n2)[nH]n1	ZINC000072477719	203231960	/nfs/dbraw/zinc/23/19/60/203231960.db2.gz	LZLMOJHEDNOKHU-SNVBAGLBSA-N	-1	1	338.371	2.311	50	0		EEAAMM
CC(=O)Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000012128357	207073751	/nfs/dbraw/zinc/07/37/51/207073751.db2.gz	UKJXUHYGSWRRBF-UHFFFAOYSA-N	-1	1	335.367	2.458	50	0		EEAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cn1	ZINC000001422696	462581701	/nfs/dbraw/zinc/58/17/01/462581701.db2.gz	JHXWZOVBUIQDFR-UHFFFAOYSA-N	-1	1	347.396	2.018	50	0		EEAAMM
COc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)n1	ZINC000004999466	462644369	/nfs/dbraw/zinc/64/43/69/462644369.db2.gz	JETYADYFIJWWEW-SNVBAGLBSA-N	-1	1	347.396	2.100	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)N[C@H](C)CCc2ccccc2)n1	ZINC000015379080	462951107	/nfs/dbraw/zinc/95/11/07/462951107.db2.gz	GYTDFESYGJACKP-GFCCVEGCSA-N	-1	1	331.441	2.308	50	0		EEAAMM
C[C@@H](Sc1nc(N)cc(=O)[n-]1)C(=O)Nc1nc2ccccc2s1	ZINC000018247560	463009734	/nfs/dbraw/zinc/00/97/34/463009734.db2.gz	WBPXHLAMKWIIHO-SSDOTTSWSA-N	-1	1	347.425	2.081	50	0		EEAAMM
COc1ccccc1-n1c(SCC(=O)[O-])nnc1-c1[nH]cnc1C	ZINC000067872488	463060919	/nfs/dbraw/zinc/06/09/19/463060919.db2.gz	IKODFGJYQDMBCH-UHFFFAOYSA-N	-1	1	345.384	2.151	50	0		EEAAMM
CC(C)c1noc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)n1	ZINC000095353277	463066913	/nfs/dbraw/zinc/06/69/13/463066913.db2.gz	YJHBYBYKPJFIOU-FZKQIMNGSA-N	-1	1	343.383	2.256	50	0		EEAAMM
CN(C)[C@H](C(=O)N(C)CC(=O)c1ccc([O-])cc1)c1ccc(F)cc1	ZINC000095360865	463068184	/nfs/dbraw/zinc/06/81/84/463068184.db2.gz	WFOJXCLALRYBOO-SFHVURJKSA-N	-1	1	344.386	2.475	50	0		EEAAMM
O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cnn([C@H]2CCOC2)c1	ZINC000096123291	463182358	/nfs/dbraw/zinc/18/23/58/463182358.db2.gz	HERHAIOJGCXBGH-ZDUSSCGKSA-N	-1	1	343.355	2.065	50	0		EEAAMM
Cc1ccc(CN2CCN(C(=O)c3ccoc3)C[C@H](C(=O)[O-])C2)s1	ZINC000097117009	463331285	/nfs/dbraw/zinc/33/12/85/463331285.db2.gz	BQVDUYDTKATOKU-CQSZACIVSA-N	-1	1	348.424	2.308	50	0		EEAAMM
Cc1nc(-c2ccccc2)oc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000124410230	463419758	/nfs/dbraw/zinc/41/97/58/463419758.db2.gz	DVLRJDLCQJXLTN-SNVBAGLBSA-N	-1	1	326.360	2.039	50	0		EEAAMM
CN1CCC2(CCN(C(=O)c3cc(F)ccc3[O-])CC2)CCC1=O	ZINC000222987092	464136093	/nfs/dbraw/zinc/13/60/93/464136093.db2.gz	NGPQLKVDMCPNTH-UHFFFAOYSA-N	-1	1	334.391	2.396	50	0		EEAAMM
CCc1c([O-])nc(SCC(=O)N(CC)CC)n([C@H](C)CC)c1=O	ZINC000023115197	202098351	/nfs/dbraw/zinc/09/83/51/202098351.db2.gz	NHQRSFMHFDTVLD-LLVKDONJSA-N	-1	1	341.477	2.443	50	0		EEAAMM
O=S(=O)([N-]Cc1ccccn1)c1c2nsnc2ccc1Cl	ZINC000032579225	202227775	/nfs/dbraw/zinc/22/77/75/202227775.db2.gz	IUQKIWWGXLKPHS-UHFFFAOYSA-N	-1	1	340.817	2.218	50	0		EEAAMM
COc1ccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1Cl	ZINC000019775048	212064537	/nfs/dbraw/zinc/06/45/37/212064537.db2.gz	OPXAFMLWFHOUGU-JTQLQIEISA-N	-1	1	326.780	2.084	50	0		EEAAMM
Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000091986729	203661574	/nfs/dbraw/zinc/66/15/74/203661574.db2.gz	MTJMOSGHZAHNOV-ZDUSSCGKSA-N	-1	1	328.372	2.229	50	0		EEAAMM
CCC(C)(C)NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1	ZINC000102137602	204034045	/nfs/dbraw/zinc/03/40/45/204034045.db2.gz	RLGXBASFPUEXMZ-UHFFFAOYSA-N	-1	1	339.461	2.461	50	0		EEAAMM
CCC(C)(C)NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1	ZINC000102137602	204034048	/nfs/dbraw/zinc/03/40/48/204034048.db2.gz	RLGXBASFPUEXMZ-UHFFFAOYSA-N	-1	1	339.461	2.461	50	0		EEAAMM
CCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)cc(=O)[n-]1	ZINC000011854335	207003828	/nfs/dbraw/zinc/00/38/28/207003828.db2.gz	PIIRWSYFHCWOPB-UHFFFAOYSA-N	-1	1	329.385	2.341	50	0		EEAAMM
O=C1[N-]C(=S)NC(=O)[C@@]12Cc1c(Cl)cccc1N1CCC[C@@H]12	ZINC000008744394	280281637	/nfs/dbraw/zinc/28/16/37/280281637.db2.gz	CNVYYYWORWUJIE-LLVKDONJSA-N	-1	1	335.816	2.223	50	0		EEAAMM
O=C1[N-]C(=S)NC(=O)[C@]12Cc1c(Cl)cccc1N1CCC[C@@H]12	ZINC000008744394	280281639	/nfs/dbraw/zinc/28/16/39/280281639.db2.gz	CNVYYYWORWUJIE-LLVKDONJSA-N	-1	1	335.816	2.223	50	0		EEAAMM
COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000003893928	462626914	/nfs/dbraw/zinc/62/69/14/462626914.db2.gz	JAUVQIFUCHAVNV-UHFFFAOYSA-N	-1	1	337.353	2.203	50	0		EEAAMM
Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc2oc(=O)n(C)c2c1	ZINC000006755231	462703429	/nfs/dbraw/zinc/70/34/29/462703429.db2.gz	WZBRJLWCBKUTEH-UHFFFAOYSA-N	-1	1	336.344	2.380	50	0		EEAAMM
Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2ccc(Cl)cc2F)n1	ZINC000007385664	462733601	/nfs/dbraw/zinc/73/36/01/462733601.db2.gz	MKHOSVOXVYLQFJ-UHFFFAOYSA-N	-1	1	330.772	2.191	50	0		EEAAMM
CON(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000008923478	462796614	/nfs/dbraw/zinc/79/66/14/462796614.db2.gz	XEQTYGODQKFRBM-UHFFFAOYSA-N	-1	1	338.360	2.260	50	0		EEAAMM
O=C1CS[C@H](c2cccc([N-]S(=O)(=O)c3ccccc3)c2)N1	ZINC000013359252	462891963	/nfs/dbraw/zinc/89/19/63/462891963.db2.gz	FJDJTLPNZFCROJ-OAHLLOKOSA-N	-1	1	334.422	2.349	50	0		EEAAMM
CCC[C@@H]1CN(C(=O)CCc2n[nH]c3c2CCCC3)C[C@H]1C(=O)[O-]	ZINC000091663597	462897338	/nfs/dbraw/zinc/89/73/38/462897338.db2.gz	WQVXFKOJNSHDRW-TZMCWYRMSA-N	-1	1	333.432	2.180	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1cccc2ccccc21	ZINC000013683268	462899600	/nfs/dbraw/zinc/89/96/00/462899600.db2.gz	GCMTVWKNVPSRIC-UHFFFAOYSA-N	-1	1	347.378	2.451	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2ccnc3ccccc32)n1	ZINC000017722119	463000859	/nfs/dbraw/zinc/00/08/59/463000859.db2.gz	UEFSTENSAXLIKM-UHFFFAOYSA-N	-1	1	326.381	2.357	50	0		EEAAMM
CC(=O)N(Cc1ccc(Cl)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O	ZINC000021806996	463041344	/nfs/dbraw/zinc/04/13/44/463041344.db2.gz	VFQPWKRROYEPOA-UHFFFAOYSA-N	-1	1	345.790	2.241	50	0		EEAAMM
Cc1cc(NC(=O)c2cc(C)oc2C)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000035588036	463432710	/nfs/dbraw/zinc/43/27/10/463432710.db2.gz	PKEGGWKRJYQHAU-UHFFFAOYSA-N	-1	1	327.344	2.447	50	0		EEAAMM
CCCc1cc(=O)n(-c2ccc(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)cc2)[n-]1	ZINC000223426011	464142414	/nfs/dbraw/zinc/14/24/14/464142414.db2.gz	MNTVPKAXIARMCD-IKGGRYGDSA-N	-1	1	341.411	2.025	50	0		EEAAMM
CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2c(C)[nH]c3ccccc32)CC1	ZINC000012408376	285817048	/nfs/dbraw/zinc/81/70/48/285817048.db2.gz	TWDLOSVMBLZAOL-MRXNPFEDSA-N	-1	1	345.399	2.376	50	0		EEAAMM
CC(C)(C)N1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCC[C@H]32)C1=O	ZINC000230016600	278340349	/nfs/dbraw/zinc/34/03/49/278340349.db2.gz	PHXZBGRTUVTVDN-LIRRHRJNSA-N	-1	1	341.411	2.279	50	0		EEAAMM
CC(=O)Cc1nsc([N-]C(=O)c2ccc(Br)o2)n1	ZINC000000428880	462562543	/nfs/dbraw/zinc/56/25/43/462562543.db2.gz	HZJUBCGJUPMSBT-UHFFFAOYSA-N	-1	1	330.163	2.277	50	0		EEAAMM
CC[C@@H](Sc1nc(N)cc(=O)[n-]1)C(=O)Nc1ccc(C(C)=O)cc1	ZINC000004384936	462632031	/nfs/dbraw/zinc/63/20/31/462632031.db2.gz	RVVQAXCHUBSZIY-GFCCVEGCSA-N	-1	1	346.412	2.064	50	0		EEAAMM
CCc1cc(=O)[n-]c(SCC(=O)NCc2ccccc2Cl)n1	ZINC000005155027	462648063	/nfs/dbraw/zinc/64/80/63/462648063.db2.gz	DFFLXBUTBZSPFS-UHFFFAOYSA-N	-1	1	337.832	2.394	50	0		EEAAMM
O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(Cl)cc1	ZINC000005483687	462660316	/nfs/dbraw/zinc/66/03/16/462660316.db2.gz	URPURUKKGTWRKL-UHFFFAOYSA-N	-1	1	335.776	2.117	50	0		EEAAMM
COc1ccccc1C[C@@H](C(=O)Nc1ccc(C)cc1)c1nn[n-]n1	ZINC000006556777	462690427	/nfs/dbraw/zinc/69/04/27/462690427.db2.gz	RIHRLCLKVBTZDW-OAHLLOKOSA-N	-1	1	337.383	2.482	50	0		EEAAMM
COc1ccccc1C[C@@H](C(=O)Nc1cccc(C)c1)c1nn[n-]n1	ZINC000006556988	462690594	/nfs/dbraw/zinc/69/05/94/462690594.db2.gz	SXJRVFYPRKANQH-OAHLLOKOSA-N	-1	1	337.383	2.482	50	0		EEAAMM
COc1ccccc1CNC(=O)c1cnc(-c2cccnc2)[n-]c1=O	ZINC000091326139	462873981	/nfs/dbraw/zinc/87/39/81/462873981.db2.gz	MHXFGDLFBXRZQI-UHFFFAOYSA-N	-1	1	336.351	2.183	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCc2nnnn2-c2ccc(Cl)cc2)n1	ZINC000018204044	463009088	/nfs/dbraw/zinc/00/90/88/463009088.db2.gz	BPTXNUCPJHAFSE-UHFFFAOYSA-N	-1	1	334.792	2.412	50	0		EEAAMM
O=C([O-])c1ccc(CNC(=O)CN2CC[C@@H](c3ccccc3)C2)o1	ZINC000221420809	464122502	/nfs/dbraw/zinc/12/25/02/464122502.db2.gz	CUYKFLXMXMAOQB-CQSZACIVSA-N	-1	1	328.368	2.084	50	0		EEAAMM
CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)N(C)O[C@]1([O-])C(F)(F)F	ZINC000004040121	210106384	/nfs/dbraw/zinc/10/63/84/210106384.db2.gz	ZDDQDAHTCZZNHC-BZPMIXESSA-N	-1	1	349.305	2.044	50	0		EEAAMM
COc1ccc(F)c(CN2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)c1	ZINC000426563494	241310705	/nfs/dbraw/zinc/31/07/05/241310705.db2.gz	XGMKZMURMASJTI-ZDUSSCGKSA-N	-1	1	347.390	2.495	50	0		EEAAMM
Cc1cc(C[C@H](C)NC(=O)c2cnc(-c3cccs3)[n-]c2=O)[nH]n1	ZINC000091416452	218002572	/nfs/dbraw/zinc/00/25/72/218002572.db2.gz	KEQPEHPZZSPTNL-VIFPVBQESA-N	-1	1	343.412	2.303	50	0		EEAAMM
CONC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000008919911	211018321	/nfs/dbraw/zinc/01/83/21/211018321.db2.gz	RJSGNXNMEQBYNY-UHFFFAOYSA-N	-1	1	340.788	2.432	50	0		EEAAMM
C=C1N=C(SCC(=O)[O-])N[C@@H](c2ccccc2)C1C(=O)OCC	ZINC000003882191	276274017	/nfs/dbraw/zinc/27/40/17/276274017.db2.gz	PIXSYPRIZYBGET-AWEZNQCLSA-N	-1	1	334.397	2.342	50	0		EEAAMM
Cc1nc([C@H]2CCCN2CCC(=O)Nc2ccsc2C(=O)[O-])n[nH]1	ZINC000252489048	464964945	/nfs/dbraw/zinc/96/49/45/464964945.db2.gz	JEAGNIVTTPUJMH-LLVKDONJSA-N	-1	1	349.416	2.039	50	0		EEAAMM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F	ZINC000001429162	462582799	/nfs/dbraw/zinc/58/27/99/462582799.db2.gz	RWPMONLBAVWPJS-UHFFFAOYSA-N	-1	1	348.197	2.431	50	0		EEAAMM
COc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)cc2)n1	ZINC000002995809	462609334	/nfs/dbraw/zinc/60/93/34/462609334.db2.gz	DMGNMBICERWPLQ-UHFFFAOYSA-N	-1	1	325.777	2.163	50	0		EEAAMM
COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1	ZINC000012605383	462860113	/nfs/dbraw/zinc/86/01/13/462860113.db2.gz	PXOHBWMGZIPXIB-UHFFFAOYSA-N	-1	1	342.760	2.243	50	0		EEAAMM
Cn1cnnc1-c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1	ZINC000032833661	463398879	/nfs/dbraw/zinc/39/88/79/463398879.db2.gz	NQXNTTDRKFPHRB-UHFFFAOYSA-N	-1	1	332.360	2.422	50	0		EEAAMM
Cc1ccc(C)c([C@H](C(=O)[O-])N2CCN(C(=O)c3ccc[nH]3)CC2)c1	ZINC001506418180	1114601225	/nfs/dbraw/zinc/60/12/25/1114601225.db2.gz	QTZUBILBHQLNQN-QGZVFWFLSA-N	-1	1	341.411	2.215	50	0		EEAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCc1cccnc1	ZINC000004000309	210098526	/nfs/dbraw/zinc/09/85/26/210098526.db2.gz	WZKJLLVIVRGASA-UHFFFAOYSA-N	-1	1	338.363	2.451	50	0	biogenic	EEAAMM
Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=C1\NC(=S)[N-]C1=O	ZINC000100119254	280689633	/nfs/dbraw/zinc/68/96/33/280689633.db2.gz	KPMLLCBWGKBEIC-MMZVIXLHSA-N	-1	1	341.436	2.343	50	0		EEAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1nncs1	ZINC000002869095	462605286	/nfs/dbraw/zinc/60/52/86/462605286.db2.gz	WZGGXYCCPDBWLR-UHFFFAOYSA-N	-1	1	345.409	2.019	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2cc(Cl)ccc2O)n1	ZINC000005238149	462651075	/nfs/dbraw/zinc/65/10/75/462651075.db2.gz	MZBBUNRONITTOD-UHFFFAOYSA-N	-1	1	325.777	2.168	50	0		EEAAMM
C[C@H](NC(=O)CCc1n[nH]c(=S)[n-]c1=O)c1cccc(Cl)c1	ZINC000014048007	462909200	/nfs/dbraw/zinc/90/92/00/462909200.db2.gz	ZDZLHUSCYBLIOA-QMMMGPOBSA-N	-1	1	338.820	2.291	50	0		EEAAMM
CC[C@@]1(C)Cc2ccccc2-c2nc(SCC(N)=O)[n-]c(=O)c21	ZINC000018055144	463004688	/nfs/dbraw/zinc/00/46/88/463004688.db2.gz	JULWFSFLEGNMRY-KRWDZBQOSA-N	-1	1	329.425	2.238	50	0		EEAAMM
CCc1ccc(CN(C(C)=O)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1	ZINC000101877844	463383103	/nfs/dbraw/zinc/38/31/03/463383103.db2.gz	RVDSWYKDBWUTKG-UHFFFAOYSA-N	-1	1	339.399	2.150	50	0		EEAAMM
COc1ccc(NC(=O)c2ccc(C)nc2)cc1[N-]S(C)(=O)=O	ZINC000032753672	463392967	/nfs/dbraw/zinc/39/29/67/463392967.db2.gz	GGQYFVROKUIPAK-UHFFFAOYSA-N	-1	1	335.385	2.022	50	0		EEAAMM
CCCc1nc2[n-]cnn2c(=O)c1NC(=O)Nc1ccccc1OC	ZINC000033266132	463419685	/nfs/dbraw/zinc/41/96/85/463419685.db2.gz	GIEYNUFJWCHTNF-UHFFFAOYSA-N	-1	1	342.359	2.435	50	0		EEAAMM
O=C(COc1ccc(F)cc1)Nc1ccc(Oc2nnn[n-]2)cc1	ZINC000828054214	800581577	/nfs/dbraw/zinc/58/15/77/800581577.db2.gz	WMBYALLMTCLSMC-UHFFFAOYSA-N	-1	1	329.291	2.149	50	0		EEAAMM
O=C(COc1ccc(F)cc1)Nc1ccc(Oc2nn[n-]n2)cc1	ZINC000828054214	800581583	/nfs/dbraw/zinc/58/15/83/800581583.db2.gz	WMBYALLMTCLSMC-UHFFFAOYSA-N	-1	1	329.291	2.149	50	0		EEAAMM
O=C(Nc1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc2[N-]1	ZINC000033265395	539332028	/nfs/dbraw/zinc/33/20/28/539332028.db2.gz	KINKRCRGVPBYRD-UHFFFAOYSA-N	-1	1	335.772	2.491	50	0		EEAAMM
CCCCC([O-])=C1C(=O)C[C@H](c2ccccc2)[C@H](C(=O)OC)C1=O	ZINC000100758246	219106091	/nfs/dbraw/zinc/10/60/91/219106091.db2.gz	XCLFWCXQIKELRX-XOKHGSTOSA-N	-1	1	330.380	2.477	50	0	biogenic	EEAAMM
CCCCC(=O)C1=C([O-])C[C@H](c2ccccc2)[C@H](C(=O)OC)C1=O	ZINC000100758246	219106093	/nfs/dbraw/zinc/10/60/93/219106093.db2.gz	XCLFWCXQIKELRX-XOKHGSTOSA-N	-1	1	330.380	2.477	50	0	biogenic	EEAAMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4c[nH]nc4c3)cc2s1	ZINC000001425137	209744656	/nfs/dbraw/zinc/74/46/56/209744656.db2.gz	NGYHMSLDJUNMIK-UHFFFAOYSA-N	-1	1	346.393	2.267	50	0		EEAAMM
Cn1c(CNC(=O)c2ccccc2Br)n[n-]c1=S	ZINC000006223851	462679581	/nfs/dbraw/zinc/67/95/81/462679581.db2.gz	OZGZLHUJAMCXIQ-UHFFFAOYSA-N	-1	1	327.207	2.170	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)N2CCc3ccccc32)n1	ZINC000014095480	462910213	/nfs/dbraw/zinc/91/02/13/462910213.db2.gz	MIISBTITYMIOLG-UHFFFAOYSA-N	-1	1	329.425	2.404	50	0		EEAAMM
C[C@H](Sc1nc(N)cc(=O)[n-]1)C(=O)Nc1nc2ccccc2s1	ZINC000018247562	463009286	/nfs/dbraw/zinc/00/92/86/463009286.db2.gz	WBPXHLAMKWIIHO-ZETCQYMHSA-N	-1	1	347.425	2.081	50	0		EEAAMM
COC(=O)C[C@@H](c1c(C)[n-][nH]c1=O)c1c(C)nc2scc(C)n21	ZINC000095475138	463091476	/nfs/dbraw/zinc/09/14/76/463091476.db2.gz	UAHIHRYKKWRARM-JTQLQIEISA-N	-1	1	334.401	2.445	50	0		EEAAMM
Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=C1\NC(=S)[N-]C1=O	ZINC000100119248	463372041	/nfs/dbraw/zinc/37/20/41/463372041.db2.gz	KPMLLCBWGKBEIC-LZTQFINJSA-N	-1	1	341.436	2.343	50	0		EEAAMM
CCCCC([O-])=C1C(=O)C[C@@H](c2ccccc2)[C@@H](C(=O)OC)C1=O	ZINC000229764487	534956572	/nfs/dbraw/zinc/95/65/72/534956572.db2.gz	XCLFWCXQIKELRX-IAOVAPTHSA-N	-1	1	330.380	2.477	50	0	biogenic	EEAAMM
CCCCC(=O)C1=C([O-])C[C@@H](c2ccccc2)[C@@H](C(=O)OC)C1=O	ZINC000229764487	534956578	/nfs/dbraw/zinc/95/65/78/534956578.db2.gz	XCLFWCXQIKELRX-IAOVAPTHSA-N	-1	1	330.380	2.477	50	0	biogenic	EEAAMM
Cc1[n-][nH]c(=O)c1CC(=O)N(Cc1ccc(F)cc1)C[C@H]1CCCO1	ZINC000055309021	214305424	/nfs/dbraw/zinc/30/54/24/214305424.db2.gz	DGBBCKVSQWIOGJ-OAHLLOKOSA-N	-1	1	347.390	2.313	50	0		EEAAMM
O=C([O-])CCC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc2[nH]ccc21	ZINC000019701942	304044600	/nfs/dbraw/zinc/04/46/00/304044600.db2.gz	CKBVXYJEFWFZOL-GOSISDBHSA-N	-1	1	338.367	2.230	50	0	biogenic	EEAAMM
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc2[nH]c(=O)[nH]c2cc1C	ZINC000035506259	213033212	/nfs/dbraw/zinc/03/32/12/213033212.db2.gz	UNLMHLIUMWAEBF-UHFFFAOYSA-N	-1	1	335.360	2.413	50	0		EEAAMM
Cc1[nH]nc2c1[C@@H](c1ccccc1O)c1c(=O)[n-]c(=S)[nH]c1N2	ZINC000079496017	217234151	/nfs/dbraw/zinc/23/41/51/217234151.db2.gz	ZTILWZNSMJGWMK-SNVBAGLBSA-N	-1	1	327.369	2.407	50	0		EEAAMM
Cc1ccc(-c2ncc(C(=O)NCCC[C@@H]3CCOC3)c(=O)[n-]2)cc1	ZINC000091871889	218080971	/nfs/dbraw/zinc/08/09/71/218080971.db2.gz	KJXRNPIYDANGND-CQSZACIVSA-N	-1	1	341.411	2.292	50	0		EEAAMM
C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)c1ccc([O-])cc1O	ZINC000010949763	211196175	/nfs/dbraw/zinc/19/61/75/211196175.db2.gz	BFUIWGGYFGBVKC-BMLIUANNSA-N	-1	1	344.319	2.052	50	0		EEAAMM
O=S(=O)(c1ccc(Br)cc1)c1c[nH]c(=S)nc1[O-]	ZINC000057351985	285046986	/nfs/dbraw/zinc/04/69/86/285046986.db2.gz	PAOGRGSYDUGDPM-UHFFFAOYSA-N	-1	1	347.215	2.440	50	0		EEAAMM
O=c1[n-]c(=S)[nH]cc1S(=O)(=O)c1ccc(Br)cc1	ZINC000057351985	285046988	/nfs/dbraw/zinc/04/69/88/285046988.db2.gz	PAOGRGSYDUGDPM-UHFFFAOYSA-N	-1	1	347.215	2.440	50	0		EEAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1	ZINC000000029706	208551475	/nfs/dbraw/zinc/55/14/75/208551475.db2.gz	IXYNGYSWIIHQBH-UHFFFAOYSA-N	-1	1	347.396	2.404	50	0		EEAAMM
CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1	ZINC000004884278	210310835	/nfs/dbraw/zinc/31/08/35/210310835.db2.gz	VGXWHNOBXXDWQP-UHFFFAOYSA-N	-1	1	332.381	2.495	50	0		EEAAMM
CONC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1	ZINC000008710361	462791833	/nfs/dbraw/zinc/79/18/33/462791833.db2.gz	VGIILGPHYYQSOA-UHFFFAOYSA-N	-1	1	334.397	2.395	50	0		EEAAMM
COC(=O)C[C@@H](c1ccnn1C)c1c(=O)[nH][n-]c1Cc1ccccc1	ZINC000096117884	463180784	/nfs/dbraw/zinc/18/07/84/463180784.db2.gz	AIRVNEFVYHPUJT-ZDUSSCGKSA-N	-1	1	340.383	2.135	50	0		EEAAMM
C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1ncccc1[O-]	ZINC000082120506	463517541	/nfs/dbraw/zinc/51/75/41/463517541.db2.gz	GAKMMMMAQSZDGP-LLVKDONJSA-N	-1	1	345.786	2.318	50	0		EEAAMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2[nH]1	ZINC000035510487	213035695	/nfs/dbraw/zinc/03/56/95/213035695.db2.gz	UFTPJIRGHCBXKY-UHFFFAOYSA-N	-1	1	341.751	2.450	50	0		EEAAMM
CN(C)c1ncnc2c1CCN(C(=O)c1ccc(Cl)cc1[O-])C2	ZINC000072138707	216026057	/nfs/dbraw/zinc/02/60/57/216026057.db2.gz	BNJKZMXCDBRTHO-UHFFFAOYSA-N	-1	1	332.791	2.100	50	0		EEAAMM
CC(C)(C)CN1C[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)CC1=O	ZINC000072172428	216063960	/nfs/dbraw/zinc/06/39/60/216063960.db2.gz	BFXZDXPMZNIVDO-GFCCVEGCSA-N	-1	1	338.835	2.351	50	0		EEAAMM
O=C(c1cc(Cl)ccc1[O-])N1CCc2[nH]c(-c3cn[nH]c3)nc2C1	ZINC000215682039	241138960	/nfs/dbraw/zinc/13/89/60/241138960.db2.gz	SCKDYSBFOVTGLZ-UHFFFAOYSA-N	-1	1	343.774	2.357	50	0		EEAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)cc1	ZINC000012507856	211395291	/nfs/dbraw/zinc/39/52/91/211395291.db2.gz	RSWIECFIUXYUGY-UHFFFAOYSA-N	-1	1	329.385	2.080	50	0		EEAAMM
O=C([O-])[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1c1cccc(F)c1	ZINC000091452780	218008924	/nfs/dbraw/zinc/00/89/24/218008924.db2.gz	WIFUQQJTTZVMHF-UONOGXRCSA-N	-1	1	343.358	2.367	50	0		EEAAMM
Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)C2CC2)n1	ZINC000011854344	211259080	/nfs/dbraw/zinc/25/90/80/211259080.db2.gz	ZZPDTHBAOIOYME-UHFFFAOYSA-N	-1	1	341.396	2.341	50	0		EEAAMM
CCCc1nc(C)c(CNC(=O)c2cnc(C3CC3)[n-]c2=O)s1	ZINC000091664527	218043477	/nfs/dbraw/zinc/04/34/77/218043477.db2.gz	WGSYJCSNAXKNKJ-UHFFFAOYSA-N	-1	1	332.429	2.295	50	0		EEAAMM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1	ZINC000007320631	210784771	/nfs/dbraw/zinc/78/47/71/210784771.db2.gz	CRDBMLWPJJLWTI-UHFFFAOYSA-N	-1	1	331.353	2.150	50	0		EEAAMM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1	ZINC000005720879	210524185	/nfs/dbraw/zinc/52/41/85/210524185.db2.gz	OLUUFCIFDSHTRH-UHFFFAOYSA-N	-1	1	325.317	2.333	50	0		EEAAMM
Cc1cc(C(=O)N2CCC(c3cc(CC(=O)[O-])[nH]n3)CC2)c(C)o1	ZINC000299776034	258086605	/nfs/dbraw/zinc/08/66/05/258086605.db2.gz	JYLVVIYQRFWBRY-UHFFFAOYSA-N	-1	1	331.372	2.266	50	0		EEAAMM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1	ZINC000000990490	462574499	/nfs/dbraw/zinc/57/44/99/462574499.db2.gz	WKUKGFFXIPCSTA-UHFFFAOYSA-N	-1	1	349.364	2.397	50	0		EEAAMM
O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1cccc(Cl)c1	ZINC000005451310	462659982	/nfs/dbraw/zinc/65/99/82/462659982.db2.gz	BUIAUFKSQHVTBG-UHFFFAOYSA-N	-1	1	335.776	2.117	50	0		EEAAMM
CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)n[n-]c1=S	ZINC000005679252	462665919	/nfs/dbraw/zinc/66/59/19/462665919.db2.gz	KEUXBNXUPWJRNI-UHFFFAOYSA-N	-1	1	332.838	2.092	50	0		EEAAMM
COc1ccccc1CC[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000008500444	462785435	/nfs/dbraw/zinc/78/54/35/462785435.db2.gz	NCIQBIACXCGXRQ-UHFFFAOYSA-N	-1	1	327.352	2.494	50	0		EEAAMM
CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1	ZINC000028776298	463233163	/nfs/dbraw/zinc/23/31/63/463233163.db2.gz	SNMPBWRHTYCDBO-UHFFFAOYSA-N	-1	1	346.408	2.326	50	0		EEAAMM
Cc1ccc(CN2CCN(C(=O)c3ccoc3)C[C@@H](C(=O)[O-])C2)s1	ZINC000097117012	463331120	/nfs/dbraw/zinc/33/11/20/463331120.db2.gz	BQVDUYDTKATOKU-AWEZNQCLSA-N	-1	1	348.424	2.308	50	0		EEAAMM
O=C(Oc1ccc(C=C2NC(=S)[N-]C2=O)cc1)c1ccc(F)cc1	ZINC000033729619	463424250	/nfs/dbraw/zinc/42/42/50/463424250.db2.gz	MPNOFDFKLOZHMX-ZROIWOOFSA-N	-1	1	342.351	2.390	50	0		EEAAMM
COC[C@@H]1[C@H](NC(=O)c2ccc3ccccc3c2[O-])[C@@H]2CCO[C@H]12	ZINC000222338538	464128691	/nfs/dbraw/zinc/12/86/91/464128691.db2.gz	MTXVRMQCGHPFJS-ZDRJDWQYSA-N	-1	1	327.380	2.325	50	0		EEAAMM
COC(=O)CCc1c(C)nc2c(-c3ccccc3)c(=O)[n-]n2c1C	ZINC000072323979	216151313	/nfs/dbraw/zinc/15/13/13/216151313.db2.gz	AMGUDHLITUYRHZ-UHFFFAOYSA-N	-1	1	325.368	2.412	50	0		EEAAMM
CN(C)[C@H](CNC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C)c1cccc(Cl)c1	ZINC000229723338	242195023	/nfs/dbraw/zinc/19/50/23/242195023.db2.gz	JUFLYIZPSNNLCS-RDBSUJKOSA-N	-1	1	338.835	2.416	50	0		EEAAMM
O=C([O-])c1cccc(CN(Cc2ccncc2)C[C@@H]2CCC(=O)N2)c1	ZINC000243901554	243032334	/nfs/dbraw/zinc/03/23/34/243032334.db2.gz	BCJNNIXZJQHQFM-KRWDZBQOSA-N	-1	1	339.395	2.061	50	0		EEAAMM
CN(C)[C@@H](C(=O)N(C)CC(=O)c1ccc([O-])cc1)c1cccc(F)c1	ZINC000091486664	218013187	/nfs/dbraw/zinc/01/31/87/218013187.db2.gz	SEANQTYVLRYRLO-GOSISDBHSA-N	-1	1	344.386	2.475	50	0		EEAAMM
O=C([O-])c1coc(C[N@H+]2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)n1	ZINC000095358897	218292255	/nfs/dbraw/zinc/29/22/55/218292255.db2.gz	YAXQLLHCYHVICZ-ZDUSSCGKSA-N	-1	1	330.340	2.451	50	0		EEAAMM
C[C@]1(C(=O)[O-])CCCN(C(=O)Cc2nc3ccc(Cl)cc3[nH]2)C1	ZINC000299759517	258076651	/nfs/dbraw/zinc/07/66/51/258076651.db2.gz	OBCJESLUYSJJMG-INIZCTEOSA-N	-1	1	335.791	2.472	50	0		EEAAMM
CC(C)(C)N1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C1=O	ZINC000009012928	277149305	/nfs/dbraw/zinc/14/93/05/277149305.db2.gz	PHXZBGRTUVTVDN-KUHUBIRLSA-N	-1	1	341.411	2.075	50	0		EEAAMM
CC(C)N1C(=O)[C@@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)[N-]C1=S	ZINC000229796803	277579640	/nfs/dbraw/zinc/57/96/40/277579640.db2.gz	JZXMAAKFTAPSJA-KBXCAEBGSA-N	-1	1	343.452	2.261	50	0		EEAAMM
COc1cccc(C[C@H](C(=O)Nc2cccc(C)c2)c2nn[n-]n2)c1	ZINC000006556981	462690377	/nfs/dbraw/zinc/69/03/77/462690377.db2.gz	WMCICVPDSTZKDS-INIZCTEOSA-N	-1	1	337.383	2.482	50	0		EEAAMM
CN(C(=O)CSc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1	ZINC000008587337	462789238	/nfs/dbraw/zinc/78/92/38/462789238.db2.gz	PITWXQDZEDZTGB-UHFFFAOYSA-N	-1	1	329.425	2.404	50	0		EEAAMM
CCN(CC)C(=O)[C@H](Sc1nc(N)cc(=O)[n-]1)c1ccccc1	ZINC000012895578	462875043	/nfs/dbraw/zinc/87/50/43/462875043.db2.gz	DTPSOMGZUHEQJB-CQSZACIVSA-N	-1	1	332.429	2.054	50	0		EEAAMM
COC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1	ZINC000024957675	463102757	/nfs/dbraw/zinc/10/27/57/463102757.db2.gz	MRTOQIHBJDHMCR-UHFFFAOYSA-N	-1	1	339.344	2.178	50	0		EEAAMM
Cc1ccc(NC(=O)CSc2nc3[nH]cnc3c(=O)[n-]2)cc1C	ZINC000033027625	463409084	/nfs/dbraw/zinc/40/90/84/463409084.db2.gz	OZQYVERMPIRLKM-UHFFFAOYSA-N	-1	1	329.385	2.406	50	0		EEAAMM
O=C(c1ccc2cccnc2c1[O-])N1CCO[C@@H](C(F)(F)F)C1	ZINC000071759523	463423264	/nfs/dbraw/zinc/42/32/64/463423264.db2.gz	LFBJZGIELBHZRE-LLVKDONJSA-N	-1	1	326.274	2.344	50	0		EEAAMM
Cc1noc(C)c1CCC(=O)Nc1ccc(Oc2nnn[n-]2)cc1	ZINC000828057195	800581795	/nfs/dbraw/zinc/58/17/95/800581795.db2.gz	OAKYQVVICLAQNG-UHFFFAOYSA-N	-1	1	328.332	2.168	50	0		EEAAMM
Cc1noc(C)c1CCC(=O)Nc1ccc(Oc2nn[n-]n2)cc1	ZINC000828057195	800581802	/nfs/dbraw/zinc/58/18/02/800581802.db2.gz	OAKYQVVICLAQNG-UHFFFAOYSA-N	-1	1	328.332	2.168	50	0		EEAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NCCCOC(C)C	ZINC000004085494	210115916	/nfs/dbraw/zinc/11/59/16/210115916.db2.gz	RTABEWBARSEOOH-UHFFFAOYSA-N	-1	1	333.384	2.281	50	0	biogenic	EEAAMM
Cc1ccc(OCC(=O)Nn2c(=O)c3ccccc3[n-]c2=S)cc1	ZINC000102228962	219191280	/nfs/dbraw/zinc/19/12/80/219191280.db2.gz	JPCIWFPTMJYRAE-UHFFFAOYSA-N	-1	1	341.392	2.143	50	0		EEAAMM
Cc1cc(CN[C@@H]2CCc3c(c(C(=O)[O-])nn3CC(C)C)C2)no1	ZINC000067852218	215231486	/nfs/dbraw/zinc/23/14/86/215231486.db2.gz	KYNMGVQWNAMDBC-GFCCVEGCSA-N	-1	1	332.404	2.181	50	0		EEAAMM
Cc1ccc(Cl)cc1NC(=O)CCc1c(C)nc2[n-]cnn2c1=O	ZINC000012391953	211368140	/nfs/dbraw/zinc/36/81/40/211368140.db2.gz	NTOCKSYQIMMKTR-UHFFFAOYSA-N	-1	1	345.790	2.259	50	0		EEAAMM
Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)Cc2ccccc2)n1	ZINC000012123483	211299330	/nfs/dbraw/zinc/29/93/30/211299330.db2.gz	XCYOQRJSSNKPGL-UHFFFAOYSA-N	-1	1	349.394	2.323	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCc2cc(=O)n3ccc(C)cc3n2)n1	ZINC000009495664	211091509	/nfs/dbraw/zinc/09/15/09/211091509.db2.gz	JGTZCXRNCPRQMY-UHFFFAOYSA-N	-1	1	342.424	2.331	50	0		EEAAMM
C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(F)cc(F)c2)C1=O	ZINC000008772485	211003698	/nfs/dbraw/zinc/00/36/98/211003698.db2.gz	REJGZHQBOYNBQT-QGZVFWFLSA-N	-1	1	345.305	2.077	50	0		EEAAMM
CCc1cccc(CC)c1NC(=O)CSc1nc(N)cc(=O)[n-]1	ZINC000004922800	210324651	/nfs/dbraw/zinc/32/46/51/210324651.db2.gz	DZMJVJUPMYHNAW-UHFFFAOYSA-N	-1	1	332.429	2.208	50	0		EEAAMM
O=C([O-])c1ccc(COc2ccccc2/C=C2/NC(=O)NC2=O)cc1	ZINC000000072298	462541440	/nfs/dbraw/zinc/54/14/40/462541440.db2.gz	FCZJIYUPTZZBCI-NTEUORMPSA-N	-1	1	338.319	2.144	50	0		EEAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2CNn2cnnc2)cc1	ZINC000000520519	462567840	/nfs/dbraw/zinc/56/78/40/462567840.db2.gz	CBNRDYYEWSJGSF-UHFFFAOYSA-N	-1	1	343.412	2.131	50	0		EEAAMM
CN(Cc1n[nH]c2c1CCCCC2)[C@H](C(=O)[O-])c1ccc(CO)cc1	ZINC000095506991	463098178	/nfs/dbraw/zinc/09/81/78/463098178.db2.gz	LPVNERBZWPJJQU-SFHVURJKSA-N	-1	1	343.427	2.429	50	0		EEAAMM
COc1ccc(OCCS(=O)(=O)[N-]c2nc3ccccc3[nH]2)cc1	ZINC000070878515	463389805	/nfs/dbraw/zinc/38/98/05/463389805.db2.gz	NIPGTBZXEYBTGN-UHFFFAOYSA-N	-1	1	347.396	2.392	50	0		EEAAMM
Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c1Cl	ZINC000037984273	213183495	/nfs/dbraw/zinc/18/34/95/213183495.db2.gz	JIEACCBPIRSPQU-GFCCVEGCSA-N	-1	1	325.821	2.429	50	0		EEAAMM
CC(C)(O)CCc1ccc(CN2CCC[C@@H]2c2n[nH]c(=O)[n-]2)cc1	ZINC000072406941	216198152	/nfs/dbraw/zinc/19/81/52/216198152.db2.gz	FHHPRAVCQFDWFS-OAHLLOKOSA-N	-1	1	330.432	2.139	50	0		EEAAMM
CCCCc1ccc(NC(=O)CSc2nc(N)cc(=O)[n-]2)cc1	ZINC000011535520	211221868	/nfs/dbraw/zinc/22/18/68/211221868.db2.gz	KGVTTXSJYIWKKI-UHFFFAOYSA-N	-1	1	332.429	2.426	50	0		EEAAMM
CCOCC1(CNC(=O)c2cnc(-c3ccccc3)[n-]c2=O)CCC1	ZINC000091987590	218099190	/nfs/dbraw/zinc/09/91/90/218099190.db2.gz	DKUCXFCMCFKWQX-UHFFFAOYSA-N	-1	1	341.411	2.374	50	0		EEAAMM
CSc1nc(C)c(CCC(=O)NCc2ccc(F)c(C)c2)c(=O)[n-]1	ZINC000010612949	211182055	/nfs/dbraw/zinc/18/20/55/211182055.db2.gz	JUIBXYJLJYBOIH-UHFFFAOYSA-N	-1	1	349.431	2.497	50	0		EEAAMM
CCCc1ccc(CN2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)o1	ZINC000095387627	218318965	/nfs/dbraw/zinc/31/89/65/218318965.db2.gz	WEFBVUNTDYSZFO-OAHLLOKOSA-N	-1	1	334.416	2.130	50	0		EEAAMM
CCOc1ccccc1NC(=O)CSc1nc(CC)cc(=O)[n-]1	ZINC000005154924	210402425	/nfs/dbraw/zinc/40/24/25/210402425.db2.gz	ZZTYBKBGRDJANA-UHFFFAOYSA-N	-1	1	333.413	2.462	50	0		EEAAMM
Cc1ccc2[nH]cc(CCC(=O)N(C)C[C@@H](C)c3nn[n-]n3)c2c1	ZINC000124053088	222370412	/nfs/dbraw/zinc/37/04/12/222370412.db2.gz	OGKLUQBILKXUSF-GFCCVEGCSA-N	-1	1	326.404	2.184	50	0		EEAAMM
COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(N)=O)c(OC)c1	ZINC000000418557	462560205	/nfs/dbraw/zinc/56/02/05/462560205.db2.gz	IYJZDWPUWWJGOD-ZZEZOPTASA-N	-1	1	340.335	2.487	50	0		EEAAMM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)cc1	ZINC000006777738	462704536	/nfs/dbraw/zinc/70/45/36/462704536.db2.gz	ROXRRQZBPBDXTE-UHFFFAOYSA-N	-1	1	338.385	2.011	50	0		EEAAMM
CSCCCN1CCN(c2ccc(Cl)c(C(=O)[O-])n2)CC1	ZINC000065399196	462763356	/nfs/dbraw/zinc/76/33/56/462763356.db2.gz	KZZHGHSVULSQHG-UHFFFAOYSA-N	-1	1	329.853	2.308	50	0		EEAAMM
Cc1nc2[n-]c(NC(=O)C(C)C)nn2c(=O)c1Cc1ccccc1	ZINC000018220002	463009008	/nfs/dbraw/zinc/00/90/08/463009008.db2.gz	INTFXHLSNOGYCS-UHFFFAOYSA-N	-1	1	325.372	2.324	50	0		EEAAMM
Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(C)C2Cc3ccccc3C2)n1	ZINC000220278763	464115127	/nfs/dbraw/zinc/11/51/27/464115127.db2.gz	YNURTBYWTRUPQB-LBPRGKRZSA-N	-1	1	343.452	2.185	50	0		EEAAMM
COc1ccc(F)cc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000004593427	210229468	/nfs/dbraw/zinc/22/94/68/210229468.db2.gz	FHRXRYXGZNYBQN-UHFFFAOYSA-N	-1	1	339.344	2.262	50	0		EEAAMM
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C1\NC(=S)[N-]C1=O	ZINC000003343787	210013429	/nfs/dbraw/zinc/01/34/29/210013429.db2.gz	XZPAODOSZXXBRT-GHXNOFRVSA-N	-1	1	332.816	2.238	50	0		EEAAMM
O=C([O-])C1(Oc2cccc(F)c2)CCN(Cc2ccc(CO)o2)CC1	ZINC000072473062	216249700	/nfs/dbraw/zinc/24/97/00/216249700.db2.gz	VAPCYVANVVIXRN-UHFFFAOYSA-N	-1	1	349.358	2.409	50	0		EEAAMM
CCOC(=O)c1cnc(Nc2nc(C)c3ccccc3n2)[n-]c1=O	ZINC000253537601	244018559	/nfs/dbraw/zinc/01/85/59/244018559.db2.gz	VMHWFKBWAGZEMY-UHFFFAOYSA-N	-1	1	325.328	2.354	50	0		EEAAMM
C[C@H](Cc1cnccn1)NC(=O)c1cnc(-c2cccs2)[n-]c1=O	ZINC000091678717	218045277	/nfs/dbraw/zinc/04/52/77/218045277.db2.gz	UPODJLGGGLUQQW-SNVBAGLBSA-N	-1	1	341.396	2.062	50	0		EEAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N=c1[nH]c2ccccc2[nH]1	ZINC000009060106	211036097	/nfs/dbraw/zinc/03/60/97/211036097.db2.gz	WGCZIANVSFHEJE-UHFFFAOYSA-N	-1	1	349.346	2.286	50	0		EEAAMM
O=C([O-])c1cc(C(=O)c2ccccc2O)c(=O)[nH]c1C(F)(F)F	ZINC000008873716	211014470	/nfs/dbraw/zinc/01/44/70/211014470.db2.gz	ZKWWYVBKQQWTPX-UHFFFAOYSA-N	-1	1	327.214	2.441	50	0		EEAAMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1	ZINC000005013478	210360264	/nfs/dbraw/zinc/36/02/64/210360264.db2.gz	UKZUHPFGBQBWAL-UHFFFAOYSA-N	-1	1	345.424	2.295	50	0		EEAAMM
CC(C)(C)c1ncc(C(=O)N[C@@H]2CCc3ccccc3C2)c(=O)[n-]1	ZINC000091468564	277275401	/nfs/dbraw/zinc/27/54/01/277275401.db2.gz	PRDQZTNIMVOPEX-CQSZACIVSA-N	-1	1	325.412	2.355	50	0		EEAAMM
Cc1cc(C)nc(-n2[n-]c3[nH]c(C)c(CCC(C)C)c(=O)c3c2=O)n1	ZINC000018029755	301260870	/nfs/dbraw/zinc/26/08/70/301260870.db2.gz	IIAGFAQOURVYJR-UHFFFAOYSA-N	-1	1	341.415	2.311	50	0		EEAAMM
Cc1cc(C)nc(-n2nc3[nH]c(C)c(CCC(C)C)c(=O)c3c2[O-])n1	ZINC000018029755	301260871	/nfs/dbraw/zinc/26/08/71/301260871.db2.gz	IIAGFAQOURVYJR-UHFFFAOYSA-N	-1	1	341.415	2.311	50	0		EEAAMM
Cc1cc(C)nc(-n2nc3[nH]c(C)c(CCC(C)C)c([O-])c-3c2=O)n1	ZINC000018029755	301260872	/nfs/dbraw/zinc/26/08/72/301260872.db2.gz	IIAGFAQOURVYJR-UHFFFAOYSA-N	-1	1	341.415	2.311	50	0		EEAAMM
CC[C@H](Sc1nc(N)cc(=O)[n-]1)C(=O)N[C@H](C)c1ccccc1	ZINC000000467806	462564289	/nfs/dbraw/zinc/56/42/89/462564289.db2.gz	SMMIZXBUSRAFQG-PWSUYJOCSA-N	-1	1	332.429	2.100	50	0		EEAAMM
COc1ccccc1Cn1c2nnc([S-])n2c2ccccc2c1=O	ZINC000006182052	462678891	/nfs/dbraw/zinc/67/88/91/462678891.db2.gz	IDLWIKBCMQHIIQ-UHFFFAOYSA-N	-1	1	338.392	2.390	50	0		EEAAMM
COC(=O)C[C@H](c1c(C)[n-][nH]c1=O)c1c(C)nc2scc(C)n21	ZINC000095475139	463092133	/nfs/dbraw/zinc/09/21/33/463092133.db2.gz	UAHIHRYKKWRARM-SNVBAGLBSA-N	-1	1	334.401	2.445	50	0		EEAAMM
O=S(=O)(Cc1ccccc1F)[N-]c1cnn(C2CCOCC2)c1	ZINC000096123414	463182261	/nfs/dbraw/zinc/18/22/61/463182261.db2.gz	HYKKOJOVDPZYKL-UHFFFAOYSA-N	-1	1	339.392	2.316	50	0		EEAAMM
CCOc1ncccc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O	ZINC000027581802	463196669	/nfs/dbraw/zinc/19/66/69/463196669.db2.gz	YDRZDRWLHPBZSK-UHFFFAOYSA-N	-1	1	348.428	2.165	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2oncc2-c2ccccc2)n1	ZINC000032984862	463406235	/nfs/dbraw/zinc/40/62/35/463406235.db2.gz	NTJRTTSIZLTRMV-UHFFFAOYSA-N	-1	1	342.380	2.464	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccc2[nH]ccc2c1	ZINC000105817530	463472796	/nfs/dbraw/zinc/47/27/96/463472796.db2.gz	SLRNXRLWQRMSGM-UHFFFAOYSA-N	-1	1	336.355	2.191	50	0		EEAAMM
O=C(c1ccc([O-])cn1)N(CCO)CC12CC3CC(CC(C3)C1)C2	ZINC001506417989	1114601466	/nfs/dbraw/zinc/60/14/66/1114601466.db2.gz	DCXSZUATRLADLC-UHFFFAOYSA-N	-1	1	330.428	2.438	50	0		EEAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCc1ccncc1	ZINC000004000423	210098219	/nfs/dbraw/zinc/09/82/19/210098219.db2.gz	ZJTYJDPBMKZGTK-UHFFFAOYSA-N	-1	1	338.363	2.451	50	0	biogenic	EEAAMM
CC(C)N1C(=S)N=NC1C1CCN(C(=O)c2cncc([O-])c2)CC1	ZINC000111617454	220171351	/nfs/dbraw/zinc/17/13/51/220171351.db2.gz	JFSJALLHQIYUKX-UHFFFAOYSA-N	-1	1	347.444	2.268	50	0		EEAAMM
Cc1ccccc1-n1nnnc1SCC(=O)c1ccc([O-])cc1O	ZINC000009257711	211059762	/nfs/dbraw/zinc/05/97/62/211059762.db2.gz	GPPUOPUMCCKWBV-UHFFFAOYSA-N	-1	1	342.380	2.357	50	0		EEAAMM
C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1nn[n-]n1	ZINC000095388323	218320231	/nfs/dbraw/zinc/32/02/31/218320231.db2.gz	ICZXYCKMOGFDMT-NSHDSACASA-N	-1	1	345.366	2.301	50	0		EEAAMM
O=C(CSc1nc2ccccc2c(=O)[nH]1)c1ccc([O-])cc1O	ZINC000005013173	210361123	/nfs/dbraw/zinc/36/11/23/210361123.db2.gz	HLPCWKJOJSOZPX-UHFFFAOYSA-N	-1	1	328.349	2.309	50	0		EEAAMM
O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1	ZINC000001926500	462587930	/nfs/dbraw/zinc/58/79/30/462587930.db2.gz	KHFYTRJCBYKDMD-GOSISDBHSA-N	-1	1	338.407	2.094	50	0		EEAAMM
O=C([O-])C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	ZINC000001926500	462587935	/nfs/dbraw/zinc/58/79/35/462587935.db2.gz	KHFYTRJCBYKDMD-GOSISDBHSA-N	-1	1	338.407	2.094	50	0		EEAAMM
O=C(Nc1nn[n-]n1)c1cc(-c2ccccc2)nn1-c1ccccc1	ZINC000061721670	462596789	/nfs/dbraw/zinc/59/67/89/462596789.db2.gz	JTPHKKMJMGEGQC-UHFFFAOYSA-N	-1	1	331.339	2.305	50	0		EEAAMM
CCC[C@H]1COCCN1C(=O)c1cnc(-c2ccc(C)cc2)[n-]c1=O	ZINC000091620684	462892225	/nfs/dbraw/zinc/89/22/25/462892225.db2.gz	TYZWNQKJSYGEAO-HNNXBMFYSA-N	-1	1	341.411	2.386	50	0		EEAAMM
CC[C@H](Sc1nc(N)cc(=O)[n-]1)C(=O)Nc1ccc(C(C)=O)cc1	ZINC000018219315	463009442	/nfs/dbraw/zinc/00/94/42/463009442.db2.gz	RVVQAXCHUBSZIY-LBPRGKRZSA-N	-1	1	346.412	2.064	50	0		EEAAMM
O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cnn([C@@H]2CCOC2)c1	ZINC000096123290	463182378	/nfs/dbraw/zinc/18/23/78/463182378.db2.gz	HERHAIOJGCXBGH-CYBMUJFWSA-N	-1	1	343.355	2.065	50	0		EEAAMM
Cc1n[nH]c(C2CC2)c1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000299769777	465884324	/nfs/dbraw/zinc/88/43/24/465884324.db2.gz	UVMCRHWMTRMLKT-AWEZNQCLSA-N	-1	1	325.368	2.247	50	0		EEAAMM
CCOC(=O)[C@H](C)Sc1nnc([N-]C(=O)c2cc(C)on2)s1	ZINC000043939669	213602637	/nfs/dbraw/zinc/60/26/37/213602637.db2.gz	GMNYESWKRBODRP-ZETCQYMHSA-N	-1	1	342.402	2.131	50	0		EEAAMM
COc1ccc2[nH]cc([C@H](C(=O)[O-])[N@H+]3CCC[C@H](C(=O)[O-])C3)c2c1	ZINC000035102898	213008700	/nfs/dbraw/zinc/00/87/00/213008700.db2.gz	ASXQOVJPTHXCIW-ZUZCIYMTSA-N	-1	1	332.356	2.099	50	0		EEAAMM
Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)N(C)C	ZINC000025100016	212459863	/nfs/dbraw/zinc/45/98/63/212459863.db2.gz	DKLZNMIYMLXNLA-UHFFFAOYSA-N	-1	1	331.441	2.391	50	0		EEAAMM
Cc1nc(SCc2ccccc2F)[n-]c(=O)c1CC(=O)NC1CC1	ZINC000023138628	212353186	/nfs/dbraw/zinc/35/31/86/212353186.db2.gz	AMSHAINSOYLZHB-UHFFFAOYSA-N	-1	1	347.415	2.331	50	0		EEAAMM
CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCc1ccc(C(=O)[O-])o1	ZINC000426548766	241308457	/nfs/dbraw/zinc/30/84/57/241308457.db2.gz	KNLHBNUMQYMXAS-UHFFFAOYSA-N	-1	1	334.376	2.340	50	0		EEAAMM
O=C(N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1cnc(C2CC2)[n-]c1=O	ZINC000253535053	244007110	/nfs/dbraw/zinc/00/71/10/244007110.db2.gz	GFVISQGIJVRHHF-LZWOXQAQSA-N	-1	1	339.395	2.302	50	0		EEAAMM
Cc1n[nH]c(C)c1CNC(=O)c1cnc(-c2ccc(C)cc2)[n-]c1=O	ZINC000091452126	218007796	/nfs/dbraw/zinc/00/77/96/218007796.db2.gz	DSRSVUCTHJNABT-UHFFFAOYSA-N	-1	1	337.383	2.015	50	0		EEAAMM
Cc1nc2[n-]c(NC(=O)CCc3ccccc3)nn2c(=O)c1Cl	ZINC000009059012	211036215	/nfs/dbraw/zinc/03/62/15/211036215.db2.gz	CEKXOBJBRPMWMN-UHFFFAOYSA-N	-1	1	331.763	2.363	50	0		EEAAMM
CC(C)OC(=O)c1cccc(NC(=O)CSc2nccc(=O)[n-]2)c1	ZINC000005009495	210360321	/nfs/dbraw/zinc/36/03/21/210360321.db2.gz	YSNMGFQOXXBXSK-UHFFFAOYSA-N	-1	1	347.396	2.066	50	0		EEAAMM
CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C2CCC2)c1	ZINC000013009554	462881798	/nfs/dbraw/zinc/88/17/98/462881798.db2.gz	GFLCMBOLQUHMQF-UHFFFAOYSA-N	-1	1	326.418	2.161	50	0		EEAAMM
COC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@H]1c1ccccc1	ZINC000100821654	463375316	/nfs/dbraw/zinc/37/53/16/463375316.db2.gz	QGFZZOUAQMPGBC-LBPRGKRZSA-N	-1	1	343.408	2.496	50	0		EEAAMM
CCOc1cccc(NC(=O)CSc2nc3[nH]cnc3c(=O)[n-]2)c1	ZINC000033027575	463409547	/nfs/dbraw/zinc/40/95/47/463409547.db2.gz	RRVFPFNRWPYZLV-UHFFFAOYSA-N	-1	1	345.384	2.188	50	0		EEAAMM
Cc1ccc(C2(O)CCN(Cc3ccc(O)c(C(=O)[O-])c3)CC2)nc1	ZINC000067688337	215184629	/nfs/dbraw/zinc/18/46/29/215184629.db2.gz	YSCLIWBZCUVMFL-UHFFFAOYSA-N	-1	1	342.395	2.277	50	0		EEAAMM
CCCO[C@H]1CCCN(C(=O)c2cnc(-c3ccccn3)[n-]c2=O)C1	ZINC000092001377	218101595	/nfs/dbraw/zinc/10/15/95/218101595.db2.gz	PTFGDKMFBMVKKR-ZDUSSCGKSA-N	-1	1	342.399	2.275	50	0		EEAAMM
COc1ccccc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O	ZINC000008986814	211026695	/nfs/dbraw/zinc/02/66/95/211026695.db2.gz	MSQLZVFBWHRITB-UHFFFAOYSA-N	-1	1	333.413	2.380	50	0		EEAAMM
O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(F)c3)cc3c2N1CC3	ZINC000005153523	462646514	/nfs/dbraw/zinc/64/65/14/462646514.db2.gz	GQSJHOMKTONLBR-UHFFFAOYSA-N	-1	1	346.383	2.462	50	0		EEAAMM
Cc1cc(NC(=O)C=Cc2ccccc2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000007418959	462734708	/nfs/dbraw/zinc/73/47/08/462734708.db2.gz	QCEVZBMHBROHTG-CMDGGOBGSA-N	-1	1	335.367	2.224	50	0		EEAAMM
Cc1cccc(-c2ncc(C(=O)NCCc3ccccn3)c(=O)[n-]2)c1	ZINC000077487856	462993894	/nfs/dbraw/zinc/99/38/94/462993894.db2.gz	PACQDASZQNNQNH-UHFFFAOYSA-N	-1	1	334.379	2.113	50	0		EEAAMM
CCC(=O)N(Cc1ccc(C)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O	ZINC000101860799	463382463	/nfs/dbraw/zinc/38/24/63/463382463.db2.gz	JQPGRMNONLBIBU-UHFFFAOYSA-N	-1	1	339.399	2.286	50	0		EEAAMM
C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)N1CCCCCC1	ZINC000126129379	463608621	/nfs/dbraw/zinc/60/86/21/463608621.db2.gz	ROMCYGBYSGZVMT-NSHDSACASA-N	-1	1	344.399	2.039	50	0		EEAAMM
Cc1cc(F)c([C@H](C(=O)[O-])N2CCC(C(N)=O)CC2)cc1Cl	ZINC000095362537	1215352895	/nfs/dbraw/zinc/35/28/95/1215352895.db2.gz	JZNSWXPFBHCDQB-CYBMUJFWSA-N	-1	1	328.771	2.111	50	0		EEAAMM
Cc1nnc(SCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)[nH]1	ZINC000004511397	210208682	/nfs/dbraw/zinc/20/86/82/210208682.db2.gz	ZXGVNWRKMBOVGC-UHFFFAOYSA-N	-1	1	326.765	2.196	50	0		EEAAMM
Cc1n[nH]c(SCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC000004511397	210208685	/nfs/dbraw/zinc/20/86/85/210208685.db2.gz	ZXGVNWRKMBOVGC-UHFFFAOYSA-N	-1	1	326.765	2.196	50	0		EEAAMM
Nc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)[O-])cc3s2)cc1	ZINC000039357992	213233915	/nfs/dbraw/zinc/23/39/15/213233915.db2.gz	CBTUNGRYSSNAGN-UHFFFAOYSA-N	-1	1	349.393	2.378	50	0		EEAAMM
COCc1nc([C@H]2C[C@H](NC(=O)c3sccc3C)C2)cc(=O)[n-]1	ZINC000253535175	244009021	/nfs/dbraw/zinc/00/90/21/244009021.db2.gz	GFFUXOAKXYVQGH-XYPYZODXSA-N	-1	1	333.413	2.375	50	0		EEAAMM
Cc1cccnc1[C@H](C)NC(=O)c1cnc(-c2ccccn2)[n-]c1=O	ZINC000092066415	218115069	/nfs/dbraw/zinc/11/50/69/218115069.db2.gz	SPKBWWUYVOYMNI-LBPRGKRZSA-N	-1	1	335.367	2.439	50	0		EEAAMM
COC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010371431	211168626	/nfs/dbraw/zinc/16/86/26/211168626.db2.gz	NHMYMNGEUIZFKU-ZDUSSCGKSA-N	-1	1	348.424	2.252	50	0		EEAAMM
O=C([O-])c1cnn2cc(CN3CCC(c4ccncc4)CC3)cnc12	ZINC000097370402	280073030	/nfs/dbraw/zinc/07/30/30/280073030.db2.gz	XQOUZPJTJQQDLK-UHFFFAOYSA-N	-1	1	337.383	2.202	50	0		EEAAMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1O	ZINC000007422604	462735500	/nfs/dbraw/zinc/73/55/00/462735500.db2.gz	NFKXVFUDTIDSEF-UHFFFAOYSA-N	-1	1	348.380	2.086	50	0		EEAAMM
O=C(CSc1nc2c(c(=O)[n-]1)CCCC2)Nc1cccc(O)c1	ZINC000008587368	462789001	/nfs/dbraw/zinc/78/90/01/462789001.db2.gz	FPGJASXLCUUQHE-UHFFFAOYSA-N	-1	1	331.397	2.085	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)o1	ZINC000025276154	463116116	/nfs/dbraw/zinc/11/61/16/463116116.db2.gz	IYHLUNQQKBFMCA-SSDOTTSWSA-N	-1	1	348.833	2.394	50	0		EEAAMM
Cc1cc2cccc(C(=O)N3CCc4nc[nH]c4[C@@H]3C(=O)[O-])c2o1	ZINC000096138333	463184551	/nfs/dbraw/zinc/18/45/51/463184551.db2.gz	UYVQQOZKMPISEU-CQSZACIVSA-N	-1	1	325.324	2.289	50	0		EEAAMM
CCC(=O)N(Cc1ccc(F)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O	ZINC000101860770	463383186	/nfs/dbraw/zinc/38/31/86/463383186.db2.gz	KEYCGYYOWMTBTK-UHFFFAOYSA-N	-1	1	343.362	2.117	50	0		EEAAMM
CCc1cccc2c(CC(=O)N(C)C[C@H](C)c3nn[n-]n3)c[nH]c21	ZINC000124480711	463428392	/nfs/dbraw/zinc/42/83/92/463428392.db2.gz	RMJVXBLKPMYTQQ-NSHDSACASA-N	-1	1	326.404	2.048	50	0		EEAAMM
O=C(c1ncccc1[O-])N(CCCn1ccnc1)Cc1ccncc1	ZINC000055269942	214299119	/nfs/dbraw/zinc/29/91/19/214299119.db2.gz	NCPBSOLRLNRKDP-UHFFFAOYSA-N	-1	1	337.383	2.111	50	0		EEAAMM
O=C(Cc1ccc2c(c1)CCO2)OCC(=O)c1ccc([O-])cc1O	ZINC000011271058	211210770	/nfs/dbraw/zinc/21/07/70/211210770.db2.gz	CJYCEJAYWQRALJ-UHFFFAOYSA-N	-1	1	328.320	2.001	50	0		EEAAMM
COc1ccc(-c2nnc([N-]C(=O)c3cc(C)on3)o2)c(OC)c1	ZINC000009204577	211051720	/nfs/dbraw/zinc/05/17/20/211051720.db2.gz	UJAGBJNCOWXBOT-UHFFFAOYSA-N	-1	1	330.300	2.303	50	0		EEAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1	ZINC000000814692	462573209	/nfs/dbraw/zinc/57/32/09/462573209.db2.gz	MPKRAVZZJYPXNN-UHFFFAOYSA-N	-1	1	348.380	2.331	50	0		EEAAMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000006706737	462700058	/nfs/dbraw/zinc/70/00/58/462700058.db2.gz	HGQZIYBRMBJKKM-UHFFFAOYSA-N	-1	1	349.364	2.045	50	0		EEAAMM
COc1ccccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000007053014	462720185	/nfs/dbraw/zinc/72/01/85/462720185.db2.gz	UHTUMYMHTFQPMN-UHFFFAOYSA-N	-1	1	325.317	2.333	50	0		EEAAMM
CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000014140428	462913524	/nfs/dbraw/zinc/91/35/24/462913524.db2.gz	MFDRODWXYPDJHJ-MRVPVSSYSA-N	-1	1	339.244	2.185	50	0		EEAAMM
CC(C)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(=O)OC(C)C)c1	ZINC000017071668	462994502	/nfs/dbraw/zinc/99/45/02/462994502.db2.gz	PBEXPZGWAFKHCE-UHFFFAOYSA-N	-1	1	343.401	2.189	50	0		EEAAMM
CCCCCc1c(C)[nH]c2[n-]n(-c3nc(C)cc(C)n3)c(=O)c2c1=O	ZINC000018063673	463005453	/nfs/dbraw/zinc/00/54/53/463005453.db2.gz	CVVTZRATBXAABF-UHFFFAOYSA-N	-1	1	341.415	2.455	50	0		EEAAMM
CCCCCc1c(C)[nH]c2nn(-c3nc(C)cc(C)n3)c([O-])c2c1=O	ZINC000018063673	463005460	/nfs/dbraw/zinc/00/54/60/463005460.db2.gz	CVVTZRATBXAABF-UHFFFAOYSA-N	-1	1	341.415	2.455	50	0		EEAAMM
CCCCCc1c(C)[nH]c2nn(-c3nc(C)cc(C)n3)c(=O)c-2c1[O-]	ZINC000018063673	463005469	/nfs/dbraw/zinc/00/54/69/463005469.db2.gz	CVVTZRATBXAABF-UHFFFAOYSA-N	-1	1	341.415	2.455	50	0		EEAAMM
CCC[C@@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@H]1NC(C)=O	ZINC000082137642	463518483	/nfs/dbraw/zinc/51/84/83/463518483.db2.gz	PQJWZDDTRQBVGT-UKRRQHHQSA-N	-1	1	338.835	2.351	50	0		EEAAMM
CC(C)Cc1cc(C(=O)Nc2ccc(Oc3nnn[n-]3)cc2)no1	ZINC000821483402	798620903	/nfs/dbraw/zinc/62/09/03/798620903.db2.gz	UONMCLKAWQYPAY-UHFFFAOYSA-N	-1	1	328.332	2.431	50	0		EEAAMM
CC(C)Cc1cc(C(=O)Nc2ccc(Oc3nn[n-]n3)cc2)no1	ZINC000821483402	798620906	/nfs/dbraw/zinc/62/09/06/798620906.db2.gz	UONMCLKAWQYPAY-UHFFFAOYSA-N	-1	1	328.332	2.431	50	0		EEAAMM
CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1n[n-]c(=S)n1C	ZINC000004735872	210264539	/nfs/dbraw/zinc/26/45/39/210264539.db2.gz	NDOWMIJOXWTDJA-GFCCVEGCSA-N	-1	1	334.401	2.333	50	0		EEAAMM
O=C([O-])C[C@H](NCc1cccnc1)C(=O)Nc1ccc(Cl)cc1	ZINC000004687277	210247384	/nfs/dbraw/zinc/24/73/84/210247384.db2.gz	FNCOSULZIIHAIG-AWEZNQCLSA-N	-1	1	333.775	2.307	50	0		EEAAMM
CCCn1nc(C(=O)[O-])c2c1CC[C@H](N(C)Cc1nccs1)C2	ZINC000067755056	215203159	/nfs/dbraw/zinc/20/31/59/215203159.db2.gz	LDSUFIZOYYVUFS-NSHDSACASA-N	-1	1	334.445	2.437	50	0		EEAAMM
COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1c(O)cc(C)[nH]c1=O	ZINC000072404505	216195773	/nfs/dbraw/zinc/19/57/73/216195773.db2.gz	YHKROGBGBYTBIY-SNVBAGLBSA-N	-1	1	337.759	2.443	50	0		EEAAMM
Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1	ZINC000216184989	241170067	/nfs/dbraw/zinc/17/00/67/241170067.db2.gz	QAZWIDKMSREKRH-HNNXBMFYSA-N	-1	1	349.818	2.365	50	0		EEAAMM
CCCSCCNC(=O)c1cnc(-c2csc(C)n2)[n-]c1=O	ZINC000091915426	218088053	/nfs/dbraw/zinc/08/80/53/218088053.db2.gz	QCPQPTYJYXPTKI-UHFFFAOYSA-N	-1	1	338.458	2.487	50	0		EEAAMM
CN(C)[C@@H](C(=O)N(C)CC(=O)c1ccc([O-])cc1)c1ccccc1F	ZINC000091893076	218084053	/nfs/dbraw/zinc/08/40/53/218084053.db2.gz	YBZAGWLHYAKZTO-GOSISDBHSA-N	-1	1	344.386	2.475	50	0		EEAAMM
COc1cccc(C[C@H](C(=O)Nc2ccccc2C)c2nn[n-]n2)c1	ZINC000000418764	462560096	/nfs/dbraw/zinc/56/00/96/462560096.db2.gz	KJKSNLIXWCGNFR-HNNXBMFYSA-N	-1	1	337.383	2.482	50	0		EEAAMM
CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1	ZINC000006784575	462704919	/nfs/dbraw/zinc/70/49/19/462704919.db2.gz	HKNBXKHWQHGEJG-UHFFFAOYSA-N	-1	1	345.424	2.240	50	0		EEAAMM
O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1F	ZINC000007307779	462730303	/nfs/dbraw/zinc/73/03/03/462730303.db2.gz	QESQLOGNIVBPSU-UHFFFAOYSA-N	-1	1	345.298	2.311	50	0		EEAAMM
Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(C)c(C)c(=O)[n-]2)n1	ZINC000007420968	462735025	/nfs/dbraw/zinc/73/50/25/462735025.db2.gz	YIOBHPGJZVKUAL-UHFFFAOYSA-N	-1	1	341.346	2.272	50	0		EEAAMM
O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(F)cc1F	ZINC000014188856	462917266	/nfs/dbraw/zinc/91/72/66/462917266.db2.gz	KIGMPOOCSPZFMQ-LBPRGKRZSA-N	-1	1	339.367	2.387	50	0		EEAAMM
CCOC(=O)COc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000032095437	463364662	/nfs/dbraw/zinc/36/46/62/463364662.db2.gz	DRKNYASFYDSFAJ-UHFFFAOYSA-N	-1	1	335.381	2.429	50	0		EEAAMM
O=C1C[C@H](c2ccncc2)c2c(=O)[n-]c(N3CCCCCC3)nc2N1	ZINC000828323351	1204932759	/nfs/dbraw/zinc/93/27/59/1204932759.db2.gz	MNFITSMDIINDRY-CYBMUJFWSA-N	-1	1	339.399	2.432	50	0		EEAAMM
Cc1nc2[n-]c(NC(=O)c3ccco3)nn2c(=O)c1Cc1ccccc1	ZINC000101393398	219126249	/nfs/dbraw/zinc/12/62/49/219126249.db2.gz	COMRVKVGOBNWTN-UHFFFAOYSA-N	-1	1	349.350	2.162	50	0		EEAAMM
O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)N1CCOCC1	ZINC000004280176	210160903	/nfs/dbraw/zinc/16/09/03/210160903.db2.gz	ZQTYAMWCPXXMKR-GFCCVEGCSA-N	-1	1	347.198	2.107	50	0		EEAAMM
COc1ccc(-n2c(SCC(=O)[O-])nnc2-c2[nH]cnc2C)cc1	ZINC000067981636	215264584	/nfs/dbraw/zinc/26/45/84/215264584.db2.gz	HPHMVDCQDWNWHV-UHFFFAOYSA-N	-1	1	345.384	2.151	50	0		EEAAMM
O=C([O-])CCN1CCN(Cc2ccc(Br)s2)CC1	ZINC000035125632	213009013	/nfs/dbraw/zinc/00/90/13/213009013.db2.gz	RNBUJVRILMVPJN-UHFFFAOYSA-N	-1	1	333.251	2.103	50	0		EEAAMM
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2O)cc1	ZINC000000395043	209567158	/nfs/dbraw/zinc/56/71/58/209567158.db2.gz	JNNGZHUNKRWOMW-UHFFFAOYSA-N	-1	1	335.385	2.124	50	0		EEAAMM
O=C([O-])c1csc(CCNC(=O)c2ccc(CN3CCCC3)o2)n1	ZINC000426497300	241301248	/nfs/dbraw/zinc/30/12/48/241301248.db2.gz	REZFYTVBKOHOBZ-UHFFFAOYSA-N	-1	1	349.412	2.003	50	0		EEAAMM
C[C@H](NC(=O)CSc1nc2c(c(=O)[n-]1)CCC2)c1ccccc1	ZINC000011905471	211266587	/nfs/dbraw/zinc/26/65/87/211266587.db2.gz	ANVUVBPEMRNFDI-NSHDSACASA-N	-1	1	329.425	2.228	50	0		EEAAMM
O=C([O-])c1ccc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)o1	ZINC000092078443	218116042	/nfs/dbraw/zinc/11/60/42/218116042.db2.gz	VWFMVBFEPFQMSC-UONOGXRCSA-N	-1	1	333.315	2.417	50	0		EEAAMM
COC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010371436	211169326	/nfs/dbraw/zinc/16/93/26/211169326.db2.gz	NHMYMNGEUIZFKU-CYBMUJFWSA-N	-1	1	348.424	2.252	50	0		EEAAMM
COc1c2occc2c(OC)c(C2=NO[C@@](O)(C(F)F)C2)c1[O-]	ZINC000005274151	210431358	/nfs/dbraw/zinc/43/13/58/210431358.db2.gz	PIABAYFJKUFCJD-CQSZACIVSA-N	-1	1	329.255	2.234	50	0		EEAAMM
COc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000005027953	210367418	/nfs/dbraw/zinc/36/74/18/210367418.db2.gz	QBXLRDDXGGQAPR-UHFFFAOYSA-N	-1	1	337.353	2.203	50	0		EEAAMM
CC(=O)Nc1ccc(C(=O)[O-])c(C(=O)c2ccc(N(C)C)cc2O)c1	ZINC000002387111	462593047	/nfs/dbraw/zinc/59/30/47/462593047.db2.gz	WCNJYYOJSXOYND-UHFFFAOYSA-N	-1	1	342.351	2.346	50	0	in-vitro	EEAAMM
CCc1cc(=O)[n-]c(SCC(=O)Nc2cc(OC)ccc2OC)n1	ZINC000005154927	462647902	/nfs/dbraw/zinc/64/79/02/462647902.db2.gz	DXQGOXHBUPUCGC-UHFFFAOYSA-N	-1	1	349.412	2.080	50	0		EEAAMM
Cc1ccc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)c(C)c1	ZINC000006784619	462704861	/nfs/dbraw/zinc/70/48/61/462704861.db2.gz	CKQBRYZFVWWDIM-UHFFFAOYSA-N	-1	1	349.437	2.482	50	0		EEAAMM
CON(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1	ZINC000012630598	462860455	/nfs/dbraw/zinc/86/04/55/462860455.db2.gz	AMYCMMZFKBGSRU-UHFFFAOYSA-N	-1	1	334.397	2.429	50	0		EEAAMM
COc1ccc(NC(=O)Cc2ccccc2)cc1[N-]S(C)(=O)=O	ZINC000024864530	463100525	/nfs/dbraw/zinc/10/05/25/463100525.db2.gz	GVNYKPGOTYGEMJ-UHFFFAOYSA-N	-1	1	334.397	2.248	50	0		EEAAMM
C[C@@H](CN(C)C(=O)c1cc(F)cc(C(F)(F)F)c1)c1nn[n-]n1	ZINC000124694118	463453786	/nfs/dbraw/zinc/45/37/86/463453786.db2.gz	WGAWZTJRQAQURF-ZETCQYMHSA-N	-1	1	331.273	2.233	50	0		EEAAMM
Cc1ccc(C)c([C@@H](C(=O)[O-])N2CCN(C(=O)c3ccc[nH]3)CC2)c1	ZINC001506418173	1114601262	/nfs/dbraw/zinc/60/12/62/1114601262.db2.gz	QTZUBILBHQLNQN-KRWDZBQOSA-N	-1	1	341.411	2.215	50	0		EEAAMM
Cc1cc(C)cc(OCCN(C)Cc2cnc(NCC(=O)[O-])nc2)c1	ZINC000055402111	214319227	/nfs/dbraw/zinc/31/92/27/214319227.db2.gz	BHBXOHRERMLPEK-UHFFFAOYSA-N	-1	1	344.415	2.101	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)o1	ZINC000032367755	212799559	/nfs/dbraw/zinc/79/95/59/212799559.db2.gz	BPQHCFUINATAMM-UHFFFAOYSA-N	-1	1	348.424	2.208	50	0		EEAAMM
CONC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1	ZINC000023041202	212343636	/nfs/dbraw/zinc/34/36/36/212343636.db2.gz	HOPZJOZFSZIWGQ-UHFFFAOYSA-N	-1	1	338.360	2.226	50	0		EEAAMM
O=C(c1cnc(C2CC2)[n-]c1=O)N1CCO[C@@H](c2ccc(F)cc2)C1	ZINC000426404116	241278121	/nfs/dbraw/zinc/27/81/21/241278121.db2.gz	BXRZGQPJAGAMJA-OAHLLOKOSA-N	-1	1	343.358	2.412	50	0		EEAAMM
CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000012541853	211404284	/nfs/dbraw/zinc/40/42/84/211404284.db2.gz	JRPWVMAAVHGOLU-UHFFFAOYSA-N	-1	1	325.411	2.281	50	0		EEAAMM
COC(=O)c1cc(C(=O)c2cc(F)ccc2O)cc(C(=O)OC)c1[O-]	ZINC000008941580	211021145	/nfs/dbraw/zinc/02/11/45/211021145.db2.gz	FOOJFVNMWAAFPP-UHFFFAOYSA-N	-1	1	348.282	2.041	50	0		EEAAMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)cc(C(=O)OC)c1	ZINC000000102623	462542546	/nfs/dbraw/zinc/54/25/46/462542546.db2.gz	OXGKKBRPBWUZMB-UHFFFAOYSA-N	-1	1	349.364	2.061	50	0		EEAAMM
CC1(C)Cc2c(sc3c2-c2ncnn2-c2nnc([S-])n2-3)CO1	ZINC000005862473	462670733	/nfs/dbraw/zinc/67/07/33/462670733.db2.gz	FXOZXSWEIHECKI-UHFFFAOYSA-N	-1	1	332.414	2.030	50	0		EEAAMM
O=C1CS[C@@H](c2cccc([N-]S(=O)(=O)c3ccccc3)c2)N1	ZINC000013359249	462891394	/nfs/dbraw/zinc/89/13/94/462891394.db2.gz	FJDJTLPNZFCROJ-HNNXBMFYSA-N	-1	1	334.422	2.349	50	0		EEAAMM
Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000014849751	462933765	/nfs/dbraw/zinc/93/37/65/462933765.db2.gz	UAZUOWQTWLPTNK-UHFFFAOYSA-N	-1	1	336.344	2.266	50	0		EEAAMM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCO2	ZINC000026543473	463166761	/nfs/dbraw/zinc/16/67/61/463166761.db2.gz	SKDUFZFOSPZERH-UHFFFAOYSA-N	-1	1	349.364	2.129	50	0		EEAAMM
COC(=O)C[C@H](c1cnn(C)c1)c1c(=O)[nH][n-]c1Cc1ccccc1	ZINC000096118217	463181225	/nfs/dbraw/zinc/18/12/25/463181225.db2.gz	BHOBJQSBDGNONG-CQSZACIVSA-N	-1	1	340.383	2.135	50	0		EEAAMM
CO[C@H]1CCN(c2ccc([N-]S(=O)(=O)c3cccnc3)cc2)C1	ZINC000096122358	463182488	/nfs/dbraw/zinc/18/24/88/463182488.db2.gz	YKEHUBQJZNXCAS-HNNXBMFYSA-N	-1	1	333.413	2.108	50	0		EEAAMM
CCOc1cc2c(cc1CN1Cc3[nH]cnc3C[C@@H]1C(=O)[O-])CCC2	ZINC000097347169	463354663	/nfs/dbraw/zinc/35/46/63/463354663.db2.gz	DKRDUNVZGJFYOP-QGZVFWFLSA-N	-1	1	341.411	2.309	50	0		EEAAMM
COCc1nc([C@H]2C[C@@H](NC(=O)c3cccn3C3CC3)C2)cc(=O)[n-]1	ZINC000240971730	464449192	/nfs/dbraw/zinc/44/91/92/464449192.db2.gz	UBXDFCLCDWWJRP-TXEJJXNPSA-N	-1	1	342.399	2.141	50	0		EEAAMM
CC(C)c1ncc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[n-]1	ZINC000071755501	1370278799	/nfs/dbraw/zinc/27/87/99/1370278799.db2.gz	BKXZMZOTTHJPAX-OAHLLOKOSA-N	-1	1	345.374	2.246	50	0		EEAAMM
Cc1ccc(F)c(OC2(C(=O)[O-])CCN(Cc3cnn(C)c3)CC2)c1	ZINC000072475999	216254863	/nfs/dbraw/zinc/25/48/63/216254863.db2.gz	WMJSNMAQUBQGHF-UHFFFAOYSA-N	-1	1	347.390	2.366	50	0		EEAAMM
O=C(NCCc1c[nH]c2ccccc12)c1nc2ccccc2c(=O)[n-]1	ZINC000020762321	212169883	/nfs/dbraw/zinc/16/98/83/212169883.db2.gz	WPCYZUBSFXILMM-UHFFFAOYSA-N	-1	1	332.363	2.377	50	0	biogenic	EEAAMM
C[C@@H]1CN(Cc2cc(Cl)ccc2OCC(=O)[O-])CC[C@]1(C)O	ZINC000091663907	218043522	/nfs/dbraw/zinc/04/35/22/218043522.db2.gz	ACXKOOLYGNZLJF-BZNIZROVSA-N	-1	1	327.808	2.396	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(OC)c2)n1	ZINC000009972318	211138164	/nfs/dbraw/zinc/13/81/64/211138164.db2.gz	BAZBMUUTXOJNSL-UHFFFAOYSA-N	-1	1	333.413	2.462	50	0		EEAAMM
Cc1ccc(NC(=O)CSc2nc3[nH]cnc3c(=O)[n-]2)c(C)c1	ZINC000010003327	211139156	/nfs/dbraw/zinc/13/91/56/211139156.db2.gz	CSTQZANNDBLDPT-UHFFFAOYSA-N	-1	1	329.385	2.406	50	0		EEAAMM
C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1nn[n-]n1	ZINC000095388324	218320966	/nfs/dbraw/zinc/32/09/66/218320966.db2.gz	ICZXYCKMOGFDMT-LLVKDONJSA-N	-1	1	345.366	2.301	50	0		EEAAMM
COc1ccc(C[C@@H](C(=O)Nc2ccc(F)cc2)c2nn[n-]n2)cc1	ZINC000006520728	462688422	/nfs/dbraw/zinc/68/84/22/462688422.db2.gz	BMHYYOCNADAPOC-OAHLLOKOSA-N	-1	1	341.346	2.312	50	0		EEAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)c1	ZINC000006623270	462693410	/nfs/dbraw/zinc/69/34/10/462693410.db2.gz	CAFFAHNFUCATNI-UHFFFAOYSA-N	-1	1	325.411	2.199	50	0		EEAAMM
COc1ccccc1CNC(=O)CCc1c(C)nc(SC)[n-]c1=O	ZINC000012820973	462871297	/nfs/dbraw/zinc/87/12/97/462871297.db2.gz	TXIIWLABZAKWEN-UHFFFAOYSA-N	-1	1	347.440	2.058	50	0		EEAAMM
CN(Cc1ccccc1Cl)C(=O)CCc1n[nH]c(=S)[n-]c1=O	ZINC000012997544	462880316	/nfs/dbraw/zinc/88/03/16/462880316.db2.gz	GSSUGIYCFCSSFH-UHFFFAOYSA-N	-1	1	338.820	2.072	50	0		EEAAMM
COC(=O)C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000017068465	462993402	/nfs/dbraw/zinc/99/34/02/462993402.db2.gz	VQDWNTNXLLXUBA-UHFFFAOYSA-N	-1	1	332.592	2.098	50	0		EEAAMM
O=S(=O)([N-]c1ccc(Cn2cncn2)cc1)c1cccc(F)c1	ZINC000031776561	463354562	/nfs/dbraw/zinc/35/45/62/463354562.db2.gz	ULCKKCWCTLYPTB-UHFFFAOYSA-N	-1	1	332.360	2.266	50	0		EEAAMM
O=C([O-])[C@H]1Cc2nc[nH]c2CN1C(=O)c1cccc(-c2ccco2)c1	ZINC000222826845	464134339	/nfs/dbraw/zinc/13/43/39/464134339.db2.gz	QVIPHCXZHCRKCA-OAHLLOKOSA-N	-1	1	337.335	2.321	50	0		EEAAMM
CCOC(=O)c1n[n-]c(C(F)(F)F)c1I	ZINC000685948843	539991283	/nfs/dbraw/zinc/99/12/83/539991283.db2.gz	DOWQTWRHTNKXHS-UHFFFAOYSA-N	-1	1	334.035	2.210	50	0		EEAAMM
COC(=O)C[C@H](c1ccsc1)c1c([O-])nc2ccccn2c1=O	ZINC000205970966	241043869	/nfs/dbraw/zinc/04/38/69/241043869.db2.gz	MUDCQOAGSVOFKL-LLVKDONJSA-N	-1	1	330.365	2.157	50	0		EEAAMM
CONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1	ZINC000012521366	211397920	/nfs/dbraw/zinc/39/79/20/211397920.db2.gz	HMBJWNMBSUCHKF-UHFFFAOYSA-N	-1	1	338.360	2.226	50	0		EEAAMM
CCc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(C)=O)n1	ZINC000011854509	211259778	/nfs/dbraw/zinc/25/97/78/211259778.db2.gz	VDUVGPJGZULPBS-UHFFFAOYSA-N	-1	1	329.385	2.205	50	0		EEAAMM
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1	ZINC000004809274	210281445	/nfs/dbraw/zinc/28/14/45/210281445.db2.gz	HSPSVHBPTUPEKP-UHFFFAOYSA-N	-1	1	346.364	2.135	50	0		EEAAMM
CCOC(=O)c1c[n-]n(C2CCN(Cc3cccc(F)c3)CC2)c1=N	ZINC000101182884	463376765	/nfs/dbraw/zinc/37/67/65/463376765.db2.gz	XDWLJJHHBRVISE-UHFFFAOYSA-N	-1	1	346.406	2.449	50	0		EEAAMM
CCc1cccc(NC(=O)CSc2nc3[nH]cnc3c(=O)[n-]2)c1	ZINC000033027643	463409185	/nfs/dbraw/zinc/40/91/85/463409185.db2.gz	KVWKHRASYLHEEE-UHFFFAOYSA-N	-1	1	329.385	2.352	50	0		EEAAMM
O=C(NCCc1nc([O-])cc(=O)[nH]1)C1(c2ccccc2)CCCC1	ZINC000220629037	464117815	/nfs/dbraw/zinc/11/78/15/464117815.db2.gz	ZEPRVYAJCYXFFS-UHFFFAOYSA-N	-1	1	327.384	2.059	50	0		EEAAMM
O=C1Cc2cc([N-]S(=O)(=O)c3ccc(F)cc3)cc3c2N1CCC3	ZINC000004270412	210157280	/nfs/dbraw/zinc/15/72/80/210157280.db2.gz	ZAIVAUAFMLJDSI-UHFFFAOYSA-N	-1	1	346.383	2.462	50	0		EEAAMM
O=C([N-]c1nc[nH]n1)c1nc(-c2cccs2)n(-c2ccccc2)n1	ZINC000023141036	212354680	/nfs/dbraw/zinc/35/46/80/212354680.db2.gz	OUUFGUQZVSBYND-UHFFFAOYSA-N	-1	1	337.368	2.366	50	0		EEAAMM
Cc1ccsc1C(=O)[N-]N1C(=O)N[C@](C)(c2ccccc2)C1=O	ZINC000022521329	212304704	/nfs/dbraw/zinc/30/47/04/212304704.db2.gz	SGISGJUPGLZRSW-MRXNPFEDSA-N	-1	1	329.381	2.169	50	0		EEAAMM
COc1ccccc1C[C@H](C(=O)Nc1ccccc1F)c1nn[n-]n1	ZINC000000418780	462560011	/nfs/dbraw/zinc/56/00/11/462560011.db2.gz	MBXHMANDBPISSR-LBPRGKRZSA-N	-1	1	341.346	2.312	50	0		EEAAMM
COC(=O)c1sc2[n-]c(COC(=O)c3ccco3)nc(=O)c2c1C	ZINC000008457790	462784880	/nfs/dbraw/zinc/78/48/80/462784880.db2.gz	WTAHTRHMCARJRF-UHFFFAOYSA-N	-1	1	348.336	2.030	50	0		EEAAMM
CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)n[n-]c1=S	ZINC000015019488	462938616	/nfs/dbraw/zinc/93/86/16/462938616.db2.gz	YFVQCDPJEMIODI-UHFFFAOYSA-N	-1	1	330.410	2.066	50	0		EEAAMM
CCc1ccc(NC(=O)CSc2nc3[nH]cnc3c(=O)[n-]2)cc1	ZINC000033027627	463409446	/nfs/dbraw/zinc/40/94/46/463409446.db2.gz	DEKPGGSXSBKSBD-UHFFFAOYSA-N	-1	1	329.385	2.352	50	0		EEAAMM
Cc1nn(C)c(C)c1CN(C(=O)c1cnc(C2CC2)[n-]c1=O)C1CC1	ZINC001506427591	1114603979	/nfs/dbraw/zinc/60/39/79/1114603979.db2.gz	LJDUKXZYJHFULD-UHFFFAOYSA-N	-1	1	341.415	2.215	50	0		EEAAMM
CO[C@H](C)c1nnc([N-]C(=O)c2cn(-c3ccccc3)nn2)s1	ZINC001529161765	1121348147	/nfs/dbraw/zinc/34/81/47/1121348147.db2.gz	OXSZLAXBDUAZQP-SECBINFHSA-N	-1	1	330.373	2.079	50	0		EEAAMM
COc1cccc(CC2(C(=O)[O-])CCN(Cc3c[nH]cn3)CC2)c1	ZINC000071405846	215770711	/nfs/dbraw/zinc/77/07/11/215770711.db2.gz	VOPFWYXJGOEZPF-UHFFFAOYSA-N	-1	1	329.400	2.328	50	0		EEAAMM
Cc1ccc(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)cc1Cl	ZINC000012408025	211370462	/nfs/dbraw/zinc/37/04/62/211370462.db2.gz	NFMPWSWDMBILLL-UHFFFAOYSA-N	-1	1	345.790	2.259	50	0		EEAAMM
Cc1ccc(-c2ncc(C(=O)NCCC[C@H]3CCOC3)c(=O)[n-]2)cc1	ZINC000091871890	218080670	/nfs/dbraw/zinc/08/06/70/218080670.db2.gz	KJXRNPIYDANGND-AWEZNQCLSA-N	-1	1	341.411	2.292	50	0		EEAAMM
COc1ccc(CC[C@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1	ZINC000091873361	218081974	/nfs/dbraw/zinc/08/19/74/218081974.db2.gz	VFPBELHUGDUMNC-LBPRGKRZSA-N	-1	1	341.411	2.407	50	0		EEAAMM
Cc1nc(SCC(=O)Nc2ccc(F)cc2F)[n-]c(=O)c1C	ZINC000005155290	210403030	/nfs/dbraw/zinc/40/30/30/210403030.db2.gz	PZTKSUKBZDBBAR-UHFFFAOYSA-N	-1	1	325.340	2.396	50	0		EEAAMM
COc1ccc(Cl)cc1NC(=O)CSc1nccc(=O)[n-]1	ZINC000005045207	210372647	/nfs/dbraw/zinc/37/26/47/210372647.db2.gz	JVBROHXCGIDEMJ-UHFFFAOYSA-N	-1	1	325.777	2.163	50	0		EEAAMM
CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000007050966	462719530	/nfs/dbraw/zinc/71/95/30/462719530.db2.gz	HBWZWKMRCVQSFT-UHFFFAOYSA-N	-1	1	329.374	2.030	50	0		EEAAMM
Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)c(CCO)c(=O)[n-]2)cc1	ZINC000012697195	462863874	/nfs/dbraw/zinc/86/38/74/462863874.db2.gz	ATTRZQHBEGDVLT-LBPRGKRZSA-N	-1	1	347.440	2.041	50	0		EEAAMM
Nc1nc(SCC(=O)NC2CCCC2)[n-]c(=O)c1-c1ccccc1	ZINC000013111420	462884806	/nfs/dbraw/zinc/88/48/06/462884806.db2.gz	WQAFJDPUYXEJBZ-UHFFFAOYSA-N	-1	1	344.440	2.170	50	0		EEAAMM
O=C(CSc1nncn1Cc1ccco1)c1ccc([O-])cc1O	ZINC000014114160	462911458	/nfs/dbraw/zinc/91/14/58/462911458.db2.gz	LCZZPTSZIPLDPE-UHFFFAOYSA-N	-1	1	331.353	2.306	50	0		EEAAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1	ZINC000018227512	463009018	/nfs/dbraw/zinc/00/90/18/463009018.db2.gz	POQJVSQKBKSEAY-UHFFFAOYSA-N	-1	1	344.318	2.102	50	0		EEAAMM
COC(=O)C[C@H](c1c(C)[n-][nH]c1=O)c1c(Cl)nc2sccn21	ZINC000095480713	463093544	/nfs/dbraw/zinc/09/35/44/463093544.db2.gz	OXCHGSZDWJBROF-SSDOTTSWSA-N	-1	1	340.792	2.481	50	0		EEAAMM
O=C(Nc1nn2c([n-]1)nc(-c1ccccc1)cc2=O)c1ccc(F)cc1	ZINC000101017882	463376128	/nfs/dbraw/zinc/37/61/28/463376128.db2.gz	YXGCLQYXYBWDAL-UHFFFAOYSA-N	-1	1	349.325	2.476	50	0		EEAAMM
COc1cc(NC(=O)c2cccs2)ccc1[N-]S(C)(=O)=O	ZINC000032818590	463396386	/nfs/dbraw/zinc/39/63/86/463396386.db2.gz	DGNPLYXYDIXFOL-UHFFFAOYSA-N	-1	1	326.399	2.381	50	0		EEAAMM
CC(C)(Cn1ccnc1-c1ccc(O)c(C(=O)[O-])c1)N1CCOCC1	ZINC000071745852	463419439	/nfs/dbraw/zinc/41/94/39/463419439.db2.gz	RBJRRHPWBDCZOV-UHFFFAOYSA-N	-1	1	345.399	2.065	50	0		EEAAMM
CCCN(CC(F)F)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000058369838	463587392	/nfs/dbraw/zinc/58/73/92/463587392.db2.gz	QQVPVBNTUQJEJI-UHFFFAOYSA-N	-1	1	340.374	2.488	50	0		EEAAMM
CO[C@H](C)c1nnc([N-]C(=O)c2cc(C(C)C)n3ncnc3n2)s1	ZINC001529168601	1121351284	/nfs/dbraw/zinc/35/12/84/1121351284.db2.gz	HECXHYZOXCTBOC-MRVPVSSYSA-N	-1	1	347.404	2.059	50	0		EEAAMM
O=C([O-])CCc1cc2n(n1)CCC[N@H+](Cc1ccc(C(=O)[O-])cc1)C2	ZINC000072424895	216214566	/nfs/dbraw/zinc/21/45/66/216214566.db2.gz	HTBUPSQQLZHLCI-UHFFFAOYSA-N	-1	1	343.383	2.004	50	0		EEAAMM
O=C([O-])CCc1cc2n(n1)CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1)C2	ZINC000072424895	216214569	/nfs/dbraw/zinc/21/45/69/216214569.db2.gz	HTBUPSQQLZHLCI-UHFFFAOYSA-N	-1	1	343.383	2.004	50	0		EEAAMM
Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccccc2)n1	ZINC000012123099	211299432	/nfs/dbraw/zinc/29/94/32/211299432.db2.gz	YUCURVVTLZZJAJ-UHFFFAOYSA-N	-1	1	335.367	2.394	50	0		EEAAMM
C[C@]1(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)CC1(Cl)Cl	ZINC000005030938	210368267	/nfs/dbraw/zinc/36/82/67/210368267.db2.gz	HAIYTRQNTXETRG-CYBMUJFWSA-N	-1	1	330.167	2.070	50	0		EEAAMM
O=C(Nc1nn2c([n-]1)nc1c(c2=O)CCC1)c1ccc(Cl)cc1	ZINC000009203050	280063863	/nfs/dbraw/zinc/06/38/63/280063863.db2.gz	ROHXLYRGNLQZAK-UHFFFAOYSA-N	-1	1	329.747	2.224	50	0		EEAAMM
CN1CCN(c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)CC1	ZINC000000386738	462558232	/nfs/dbraw/zinc/55/82/32/462558232.db2.gz	SFOOBBBUNQDHQD-IRXDYDNUSA-N	-1	1	343.427	2.044	50	0		EEAAMM
CN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)CC1	ZINC000000386741	462558338	/nfs/dbraw/zinc/55/83/38/462558338.db2.gz	GQRHVDKTEXRZOE-IAGOWNOFSA-N	-1	1	345.443	2.268	50	0		EEAAMM
CCOC(=O)[C@@]([N-]c1ccccc1OC)(NC(C)=O)C(F)(F)F	ZINC000003138601	462610923	/nfs/dbraw/zinc/61/09/23/462610923.db2.gz	CJIPONMRAOPELH-ZDUSSCGKSA-N	-1	1	334.294	2.065	50	0		EEAAMM
CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)N(C)O[C@]1([O-])C(F)(F)F	ZINC000003133052	462611709	/nfs/dbraw/zinc/61/17/09/462611709.db2.gz	ZDDQDAHTCZZNHC-DYEKYZERSA-N	-1	1	349.305	2.044	50	0		EEAAMM
Cc1ccc(NC(=O)c2nc3c([n-]2)C(=O)NCC(C)(C)C3)c(F)c1	ZINC000065532947	462790673	/nfs/dbraw/zinc/79/06/73/462790673.db2.gz	IWCUWKODPIXMFK-UHFFFAOYSA-N	-1	1	330.363	2.422	50	0		EEAAMM
COC(OC)c1cc(=O)[n-]c(SCC(=O)c2ccc(C)cc2)n1	ZINC000013469786	462894788	/nfs/dbraw/zinc/89/47/88/462894788.db2.gz	JALROYVAEJMVFF-UHFFFAOYSA-N	-1	1	334.397	2.345	50	0		EEAAMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NC2=NCCS2)cc1	ZINC000014190681	462916765	/nfs/dbraw/zinc/91/67/65/462916765.db2.gz	CCZYOGJINGNZLH-UHFFFAOYSA-N	-1	1	333.442	2.135	50	0		EEAAMM
COc1cc(C)cc(OC)c1[C@@H](C(=O)[O-])N1CCN(CC2CC2)CC1	ZINC000095527774	463105765	/nfs/dbraw/zinc/10/57/65/463105765.db2.gz	HIPZYRPNPCQGGF-SFHVURJKSA-N	-1	1	348.443	2.166	50	0		EEAAMM
O=C(NC[C@H]1CCN(c2ccccc2)C1)c1nc2ccccc2c(=O)[n-]1	ZINC000032824216	463397304	/nfs/dbraw/zinc/39/73/04/463397304.db2.gz	GISTXHCCDZDHOM-CQSZACIVSA-N	-1	1	348.406	2.179	50	0		EEAAMM
COC(=O)C1=C(C)Nc2[nH]c(=S)[n-]c(=O)c2[C@H]1c1ccc(O)cc1	ZINC000102143682	290923059	/nfs/dbraw/zinc/92/30/59/290923059.db2.gz	KPXLIHMFHIDJGW-NSHDSACASA-N	-1	1	345.380	2.142	50	0		EEAAMM
O=C([O-])[C@H]1c2[nH]cnc2CCN1C(=O)c1cc(F)c(F)cc1Cl	ZINC000072436079	216230959	/nfs/dbraw/zinc/23/09/59/216230959.db2.gz	IXQCCAPDOZAXDT-GFCCVEGCSA-N	-1	1	341.701	2.166	50	0		EEAAMM
O=C(Cc1ccccc1)N[C@@H](C(Cl)(Cl)Cl)[P@@](=O)([O-])O	ZINC000022204163	212282594	/nfs/dbraw/zinc/28/25/94/212282594.db2.gz	VXXWHVKAELREBD-SECBINFHSA-N	-1	1	346.534	2.219	50	0		EEAAMM
CCCN1CNc2c(c(=O)[n-]c(=S)n2-c2ccc(OC)cc2)C1	ZINC000019874652	212078900	/nfs/dbraw/zinc/07/89/00/212078900.db2.gz	GBOACMBEBYXDHT-UHFFFAOYSA-N	-1	1	332.429	2.499	50	0		EEAAMM
Nc1cc(=O)[n-]c(SCCOc2cccc(Br)c2)n1	ZINC000016527221	211911843	/nfs/dbraw/zinc/91/18/43/211911843.db2.gz	QCMZLPSWAHOBOQ-UHFFFAOYSA-N	-1	1	342.218	2.286	50	0		EEAAMM
CC(C)[C@@H]1CN(C(=O)c2ccc(CN3CCCC3)o2)C[C@H]1C(=O)[O-]	ZINC000091586314	218026135	/nfs/dbraw/zinc/02/61/35/218026135.db2.gz	FKHBPDLHJUTREI-LSDHHAIUSA-N	-1	1	334.416	2.304	50	0		EEAAMM
CCCCn1nnc([N-]C(=O)c2c(F)c(F)c(OC)c(F)c2F)n1	ZINC000009142079	211044136	/nfs/dbraw/zinc/04/41/36/211044136.db2.gz	RVVSVPKRQHUNAT-UHFFFAOYSA-N	-1	1	347.272	2.291	50	0		EEAAMM
CN(C)[C@@H](C(=O)N(C)CC(=O)c1ccc([O-])cc1)c1ccc(F)cc1	ZINC000095360866	218294405	/nfs/dbraw/zinc/29/44/05/218294405.db2.gz	WFOJXCLALRYBOO-GOSISDBHSA-N	-1	1	344.386	2.475	50	0		EEAAMM
O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)NCc1ccco1	ZINC000005126250	210395552	/nfs/dbraw/zinc/39/55/52/210395552.db2.gz	DRNKOEJOAOPVCP-UHFFFAOYSA-N	-1	1	341.392	2.438	50	0		EEAAMM
O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3)cc3c2N1CC3	ZINC000005153553	462646850	/nfs/dbraw/zinc/64/68/50/462646850.db2.gz	IUKHYIOJTINHIZ-UHFFFAOYSA-N	-1	1	328.393	2.323	50	0		EEAAMM
O=C(CSc1nnc(NC2CC2)s1)[N-]C(=O)c1ccccc1	ZINC000007577571	462739864	/nfs/dbraw/zinc/73/98/64/462739864.db2.gz	MFPZLEASSFJDRD-UHFFFAOYSA-N	-1	1	334.426	2.161	50	0		EEAAMM
Cc1cc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)c(C)s1	ZINC000032532484	463380437	/nfs/dbraw/zinc/38/04/37/463380437.db2.gz	FMDBBRYFLLJNES-UHFFFAOYSA-N	-1	1	349.441	2.450	50	0		EEAAMM
Cn1cccc1C(=O)NCCNC(=O)c1ccc2ccccc2c1[O-]	ZINC000032754192	463392846	/nfs/dbraw/zinc/39/28/46/463392846.db2.gz	PVIPIEFPCYMXKC-UHFFFAOYSA-N	-1	1	337.379	2.044	50	0		EEAAMM
Cc1cc(N)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)n1	ZINC000035587882	463432918	/nfs/dbraw/zinc/43/29/18/463432918.db2.gz	DAVCAKFTCVTTDE-UHFFFAOYSA-N	-1	1	341.762	2.251	50	0		EEAAMM
COc1ncc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(OC)n1	ZINC000585437363	792885424	/nfs/dbraw/zinc/88/54/24/792885424.db2.gz	VVFCQCUYPMQPNV-UHFFFAOYSA-N	-1	1	343.792	2.089	50	0		EEAAMM
Cc1ccc(NC(=S)c2c(N)nc(N3CCCC3)[n-]c2=O)cc1	ZINC000040385652	213295933	/nfs/dbraw/zinc/29/59/33/213295933.db2.gz	LWRUUCWRINIUTP-UHFFFAOYSA-N	-1	1	329.429	2.048	50	0		EEAAMM
Cc1ccc(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)c(C)c1	ZINC000036569635	213100784	/nfs/dbraw/zinc/10/07/84/213100784.db2.gz	XKIXCQRBBQNEKY-UHFFFAOYSA-N	-1	1	325.372	2.326	50	0		EEAAMM
CCn1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2oc1=O	ZINC000021156079	212213037	/nfs/dbraw/zinc/21/30/37/212213037.db2.gz	UHEAACJFITZWHI-UHFFFAOYSA-N	-1	1	348.380	2.424	50	0		EEAAMM
CCCn1nc(C(=O)[O-])c2c1CC[C@H](N1CCOC3(CCCC3)C1)C2	ZINC000077406529	284132448	/nfs/dbraw/zinc/13/24/48/284132448.db2.gz	JUEZSGBUYVRVKI-AWEZNQCLSA-N	-1	1	347.459	2.494	50	0		EEAAMM
CSc1nc(C)c(CCC(=O)NCc2ccc(C)c(F)c2)c(=O)[n-]1	ZINC000010496484	211176921	/nfs/dbraw/zinc/17/69/21/211176921.db2.gz	CQJQUEZZCWHOOZ-UHFFFAOYSA-N	-1	1	349.431	2.497	50	0		EEAAMM
O=C1[N-]C(=O)C(C/C=C/c2ccccc2)(CCc2ccncc2)C(=O)N1	ZINC000006276803	462680870	/nfs/dbraw/zinc/68/08/70/462680870.db2.gz	FSTZKSBYJBRSKZ-QPJJXVBHSA-N	-1	1	349.390	2.470	50	0		EEAAMM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c[nH]nc2c1	ZINC000006509966	462688374	/nfs/dbraw/zinc/68/83/74/462688374.db2.gz	JDBCBPFMYPENBM-UHFFFAOYSA-N	-1	1	347.352	2.071	50	0		EEAAMM
COc1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1	ZINC000014244741	462922372	/nfs/dbraw/zinc/92/23/72/462922372.db2.gz	XQEUDYYZHGZGAU-ZDUSSCGKSA-N	-1	1	333.413	2.118	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(OC)cc2)n1	ZINC000017952622	463003414	/nfs/dbraw/zinc/00/34/14/463003414.db2.gz	CPQIHYJRUKNETL-UHFFFAOYSA-N	-1	1	333.413	2.462	50	0		EEAAMM
COc1ccccc1C(=O)[N-]C(=O)CSc1ncc2ccccn21	ZINC000026372059	463159933	/nfs/dbraw/zinc/15/99/33/463159933.db2.gz	PUTKIVLJGINZPC-UHFFFAOYSA-N	-1	1	341.392	2.392	50	0		EEAAMM
COC(=O)C[C@H](c1ccnn1C)c1c(=O)[nH][n-]c1Cc1ccccc1	ZINC000096117883	463181482	/nfs/dbraw/zinc/18/14/82/463181482.db2.gz	AIRVNEFVYHPUJT-CYBMUJFWSA-N	-1	1	340.383	2.135	50	0		EEAAMM
COc1ccc(CC2(C(=O)[O-])CCN(Cc3c[nH]cn3)CC2)cc1	ZINC000071760905	463423426	/nfs/dbraw/zinc/42/34/26/463423426.db2.gz	POOKMBDACVYQRY-UHFFFAOYSA-N	-1	1	329.400	2.328	50	0		EEAAMM
COc1ccccc1S(=O)(=O)[N-]c1ccc(N2CC(OC)C2)cc1	ZINC000240122674	464445546	/nfs/dbraw/zinc/44/55/46/464445546.db2.gz	WGLPPFGJVLSDJK-UHFFFAOYSA-N	-1	1	348.424	2.331	50	0		EEAAMM
O=C1[N-]C(=S)NC(=O)[C@@]12Cc1c(Cl)cccc1N1CCC[C@H]12	ZINC000008744396	296359214	/nfs/dbraw/zinc/35/92/14/296359214.db2.gz	CNVYYYWORWUJIE-NSHDSACASA-N	-1	1	335.816	2.223	50	0		EEAAMM
O=C1[N-]C(=S)NC(=O)[C@]12Cc1c(Cl)cccc1N1CCC[C@H]12	ZINC000008744396	296359216	/nfs/dbraw/zinc/35/92/16/296359216.db2.gz	CNVYYYWORWUJIE-NSHDSACASA-N	-1	1	335.816	2.223	50	0		EEAAMM
CCS(=O)(=O)c1ccc(O)c(NC(=O)CC(C)(C)CC(=O)[O-])c1	ZINC000000147856	462543359	/nfs/dbraw/zinc/54/33/59/462543359.db2.gz	DWJNCJIHIDFWQU-UHFFFAOYSA-N	-1	1	343.401	2.015	50	0		EEAAMM
CCOC(=O)COc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1	ZINC000000402575	462559158	/nfs/dbraw/zinc/55/91/58/462559158.db2.gz	YTHKOHNRPCSASL-UHFFFAOYSA-N	-1	1	336.365	2.167	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1NC(=O)c1cccc(OCC(C)C)c1	ZINC000008772782	462796457	/nfs/dbraw/zinc/79/64/57/462796457.db2.gz	SGSFTQSHGSWUFS-UHFFFAOYSA-N	-1	1	341.371	2.425	50	0		EEAAMM
CCC[C@@H](NC(=O)CCc1n[nH]c(=S)[n-]c1=O)c1ccccc1	ZINC000011238842	462828894	/nfs/dbraw/zinc/82/88/94/462828894.db2.gz	QAHHHHLXMZEFHA-GFCCVEGCSA-N	-1	1	332.429	2.418	50	0		EEAAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1	ZINC000018189363	463008097	/nfs/dbraw/zinc/00/80/97/463008097.db2.gz	QAYWHHSSEGLLME-UHFFFAOYSA-N	-1	1	345.211	2.390	50	0		EEAAMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)c1	ZINC000026539558	463166907	/nfs/dbraw/zinc/16/69/07/463166907.db2.gz	YMTGSOOWXRNZHA-UHFFFAOYSA-N	-1	1	342.380	2.271	50	0		EEAAMM
Cc1c2cc(F)ccc2[nH]c1CN1Cc2[nH]cnc2C[C@H]1C(=O)[O-]	ZINC000097334184	463354615	/nfs/dbraw/zinc/35/46/15/463354615.db2.gz	JQIVPRWVFKQONP-INIZCTEOSA-N	-1	1	328.347	2.350	50	0		EEAAMM
Cc1nc[nH]c1CN1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1	ZINC000082100523	463514365	/nfs/dbraw/zinc/51/43/65/463514365.db2.gz	UPKIBWVTQUUJGY-UHFFFAOYSA-N	-1	1	333.363	2.355	50	0		EEAAMM
CCCCc1nc(-c2nccn2[C@@H](C)c2n[nH]c(=O)[n-]2)c(Cl)[nH]1	ZINC000071777250	203112933	/nfs/dbraw/zinc/11/29/33/203112933.db2.gz	ZODVWBIDKKXTCB-QMMMGPOBSA-N	-1	1	335.799	2.290	50	0		EEAAMM
Cc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)C(C)C)n1	ZINC000012006152	207062852	/nfs/dbraw/zinc/06/28/52/207062852.db2.gz	XHFKDHRTZGSITA-UHFFFAOYSA-N	-1	1	327.344	2.119	50	0		EEAAMM
COc1ccccc1C[C@@H](C(=O)Nc1ccc(F)cc1)c1nn[n-]n1	ZINC000006259439	462681157	/nfs/dbraw/zinc/68/11/57/462681157.db2.gz	QHCIQCDOYFIUAC-CQSZACIVSA-N	-1	1	341.346	2.312	50	0		EEAAMM
CCn1cc(S(=O)(=O)[N-]c2ccccc2Br)cn1	ZINC000006699311	462698766	/nfs/dbraw/zinc/69/87/66/462698766.db2.gz	CZGKQAQTHXZNLI-UHFFFAOYSA-N	-1	1	330.207	2.466	50	0		EEAAMM
CCN(CC)C(=O)CSC1=Nc2cc(C)ccc2S(=O)(=O)[N-]1	ZINC000006918632	462713307	/nfs/dbraw/zinc/71/33/07/462713307.db2.gz	DWOPTDYYSMLBHU-UHFFFAOYSA-N	-1	1	341.458	2.067	50	0		EEAAMM
COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000007057324	462719942	/nfs/dbraw/zinc/71/99/42/462719942.db2.gz	SCZRZAIRJICJCS-UHFFFAOYSA-N	-1	1	337.353	2.203	50	0		EEAAMM
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1	ZINC000007927685	462758495	/nfs/dbraw/zinc/75/84/95/462758495.db2.gz	NJOMEFQEZDVYDU-UHFFFAOYSA-N	-1	1	330.365	2.185	50	0		EEAAMM
O=C(Cn1c(=S)[n-]nc1-c1cccs1)NCc1ccncc1	ZINC000009468348	462802493	/nfs/dbraw/zinc/80/24/93/462802493.db2.gz	WCUYATHWFLWPRA-UHFFFAOYSA-N	-1	1	331.426	2.381	50	0		EEAAMM
C[C@@H](CCc1ccccc1)NC(=O)c1c([O-])nc2sccn2c1=O	ZINC000010166649	462813098	/nfs/dbraw/zinc/81/30/98/462813098.db2.gz	KRDHTJXRABCZJD-NSHDSACASA-N	-1	1	343.408	2.213	50	0		EEAAMM
CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)NC)c1	ZINC000013682981	462899630	/nfs/dbraw/zinc/89/96/30/462899630.db2.gz	MYCHVTZDSOYXJR-UHFFFAOYSA-N	-1	1	348.424	2.418	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)NCCc2ccc(F)cc2)n1	ZINC000016045235	462968904	/nfs/dbraw/zinc/96/89/04/462968904.db2.gz	CSBQPCHBUYMZAX-UHFFFAOYSA-N	-1	1	349.431	2.313	50	0		EEAAMM
COC(=O)C[C@@H](c1c(C)[n-][nH]c1=O)c1c(Cl)nc2sccn21	ZINC000095480714	463092835	/nfs/dbraw/zinc/09/28/35/463092835.db2.gz	OXCHGSZDWJBROF-ZETCQYMHSA-N	-1	1	340.792	2.481	50	0		EEAAMM
COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000024957682	463102655	/nfs/dbraw/zinc/10/26/55/463102655.db2.gz	BLAMTCJXJPNQFL-UHFFFAOYSA-N	-1	1	339.344	2.178	50	0		EEAAMM
O=S(=O)([N-]CCO)c1cc(Cl)c(Cl)cc1Br	ZINC000054363410	463230091	/nfs/dbraw/zinc/23/00/91/463230091.db2.gz	BNHUMSWULGNIHJ-UHFFFAOYSA-N	-1	1	349.033	2.027	50	0		EEAAMM
CCOC(=O)c1c[n-]n(C2CCN(Cc3ccccc3F)CC2)c1=N	ZINC000101182891	463376862	/nfs/dbraw/zinc/37/68/62/463376862.db2.gz	DHZSQKLCDVTBHR-UHFFFAOYSA-N	-1	1	346.406	2.449	50	0		EEAAMM
COC(=O)C[C@@H](c1ccsc1)c1c([O-])nc2ccccn2c1=O	ZINC000205970948	536313058	/nfs/dbraw/zinc/31/30/58/536313058.db2.gz	MUDCQOAGSVOFKL-NSHDSACASA-N	-1	1	330.365	2.157	50	0		EEAAMM
COc1ccc(OC)c(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1	ZINC000026251931	202140444	/nfs/dbraw/zinc/14/04/44/202140444.db2.gz	FQVKJKGRACZBQX-UHFFFAOYSA-N	-1	1	344.293	2.412	50	0		EEAAMM
CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1	ZINC000035084026	201523939	/nfs/dbraw/zinc/52/39/39/201523939.db2.gz	URXPWAGIWPGRLC-SNVBAGLBSA-N	-1	1	330.837	2.157	50	0		EEAAMM
CCc1c(C)nc(SCC(=O)Nc2ccc(OC)cc2)[n-]c1=O	ZINC000005045308	462643411	/nfs/dbraw/zinc/64/34/11/462643411.db2.gz	BDBPBQIOAZVVOE-UHFFFAOYSA-N	-1	1	333.413	2.380	50	0		EEAAMM
C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2NC1=O	ZINC000007729259	462748760	/nfs/dbraw/zinc/74/87/60/462748760.db2.gz	ZHXLJWQZKBZDCO-VIFPVBQESA-N	-1	1	336.344	2.346	50	0		EEAAMM
CCCCc1nnc(NC(=O)CSc2nc(C)cc(=O)[n-]2)s1	ZINC000008828767	462796622	/nfs/dbraw/zinc/79/66/22/462796622.db2.gz	PSBDDGDOCREDDU-UHFFFAOYSA-N	-1	1	339.446	2.003	50	0		EEAAMM
CCO[N-]C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1	ZINC000012952691	462878079	/nfs/dbraw/zinc/87/80/79/462878079.db2.gz	FSOSIANKSWAMHV-JTQLQIEISA-N	-1	1	341.205	2.178	50	0		EEAAMM
NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2F)c1	ZINC000027597981	463197788	/nfs/dbraw/zinc/19/77/88/463197788.db2.gz	APJUINRVJPZXAA-UHFFFAOYSA-N	-1	1	328.752	2.379	50	0		EEAAMM
CC(C)[C@H](C)n1nccc1NC(=O)c1ccc(-n2cnnn2)cc1[O-]	ZINC000055120441	463287150	/nfs/dbraw/zinc/28/71/50/463287150.db2.gz	WZJMMVPKPJMDNI-NSHDSACASA-N	-1	1	341.375	2.034	50	0		EEAAMM
O=C([O-])[C@]12C[C@@]1(C(=O)[O-])C[N@@H+](Cc1c(Cl)cccc1Cl)C2	ZINC001772704228	1179289642	/nfs/dbraw/zinc/28/96/42/1179289642.db2.gz	PTYXJMHJJZATRY-OKILXGFUSA-N	-1	1	330.167	2.355	50	0		EEAAMM
FC(F)(F)c1ccccc1-n1nc(C2CC2)nc1Cc1nnn[n-]1	ZINC000067856515	1235207686	/nfs/dbraw/zinc/20/76/86/1235207686.db2.gz	RGDYAZGFZCHSRD-UHFFFAOYSA-N	-1	1	335.293	2.267	50	0		EEAAMM
FC(F)(F)c1ccccc1-n1nc(C2CC2)nc1Cc1nn[n-]n1	ZINC000067856515	1235207690	/nfs/dbraw/zinc/20/76/90/1235207690.db2.gz	RGDYAZGFZCHSRD-UHFFFAOYSA-N	-1	1	335.293	2.267	50	0		EEAAMM
NC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2F)c(F)cc1F	ZINC000030581284	202197259	/nfs/dbraw/zinc/19/72/59/202197259.db2.gz	RRXXVQMSJSNFAD-UHFFFAOYSA-N	-1	1	348.277	2.143	50	0		EEAAMM
COc1ccc([C@H](NC(=O)c2c([O-])cccc2F)[C@H]2C[C@@H](O)C2)cn1	ZINC000244708034	243063280	/nfs/dbraw/zinc/06/32/80/243063280.db2.gz	KMILZYDJGVMJNX-JKDFXYPNSA-N	-1	1	346.358	2.177	50	0		EEAAMM
O=C([O-])CNc1ncc(CN2CCC(c3ccccc3)CC2)cn1	ZINC000534646622	468269595	/nfs/dbraw/zinc/26/95/95/468269595.db2.gz	OJQWVZJAQHUPAW-UHFFFAOYSA-N	-1	1	326.400	2.353	50	0		EEAAMM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000007323177	462729699	/nfs/dbraw/zinc/72/96/99/462729699.db2.gz	YJEGVQZKHMFVOM-UHFFFAOYSA-N	-1	1	335.337	2.003	50	0		EEAAMM
CC(C)OC(=O)[C@@H]1[C@H](c2cccc(F)c2)c2c(=O)[nH][n-]c2C[C@]1(C)O	ZINC000012382697	462851879	/nfs/dbraw/zinc/85/18/79/462851879.db2.gz	SWJDUFLBWWEINV-XUWXXGDYSA-N	-1	1	348.374	2.261	50	0		EEAAMM
O=C(Nn1c(=O)c2c3c(sc2[n-]c1=S)CCC3)c1cccnc1	ZINC000017071861	462994842	/nfs/dbraw/zinc/99/48/42/462994842.db2.gz	IBGRUPZDHRXLTP-UHFFFAOYSA-N	-1	1	344.421	2.014	50	0		EEAAMM
COc1ccc2cc([C@@H](C(=O)[O-])N3CCN(C(C)=O)CC3)ccc2c1	ZINC000095377115	1215359437	/nfs/dbraw/zinc/35/94/37/1215359437.db2.gz	GNPBXWYUOBIOMI-SFHVURJKSA-N	-1	1	342.395	2.138	50	0		EEAAMM
Nc1nc(CCCNC(=O)Cc2ccc([O-])c(Cl)c2)cs1	ZINC000827848553	800528562	/nfs/dbraw/zinc/52/85/62/800528562.db2.gz	YDGPLVIQIPIWTN-UHFFFAOYSA-N	-1	1	325.821	2.376	50	0		EEAAMM
O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)c1ncccc1[O-]	ZINC000091896177	295743989	/nfs/dbraw/zinc/74/39/89/295743989.db2.gz	KQPVZLOJAZHPFH-CYBMUJFWSA-N	-1	1	335.367	2.175	50	0		EEAAMM
COc1ccc(C)cc1NC(=O)CSc1nc2[nH]cnc2c(=O)[n-]1	ZINC000033027551	202247019	/nfs/dbraw/zinc/24/70/19/202247019.db2.gz	PYALKJMSLFXRHT-UHFFFAOYSA-N	-1	1	345.384	2.106	50	0		EEAAMM
O=C(CSc1nc2[nH]cnc2c(=O)[n-]1)Nc1cc(F)ccc1F	ZINC000033324894	202258415	/nfs/dbraw/zinc/25/84/15/202258415.db2.gz	FNPAKLTUUDDNSW-UHFFFAOYSA-N	-1	1	337.311	2.068	50	0		EEAAMM
COC(=O)C[C@H](c1ccco1)c1c([O-])nc2ccc(Cl)cn2c1=O	ZINC000206054619	291154140	/nfs/dbraw/zinc/15/41/40/291154140.db2.gz	ZGNYXDRBXAMXRK-SNVBAGLBSA-N	-1	1	348.742	2.342	50	0		EEAAMM
Cc1c(Cl)cccc1C(=O)N1C[C@H](CC(=O)[O-])[C@H](c2c[nH]nn2)C1	ZINC000299755797	258074029	/nfs/dbraw/zinc/07/40/29/258074029.db2.gz	DAJZHZDAGQBCFW-CMPLNLGQSA-N	-1	1	348.790	2.097	50	0		EEAAMM
Cc1c(Cl)cccc1C(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cnn[nH]2)C1	ZINC000299755797	258074030	/nfs/dbraw/zinc/07/40/30/258074030.db2.gz	DAJZHZDAGQBCFW-CMPLNLGQSA-N	-1	1	348.790	2.097	50	0		EEAAMM
COc1cc(Cl)c(C)cc1NC(=O)CSc1nccc(=O)[n-]1	ZINC000005237881	462651038	/nfs/dbraw/zinc/65/10/38/462651038.db2.gz	WMRJLGLPFGFHEQ-UHFFFAOYSA-N	-1	1	339.804	2.471	50	0		EEAAMM
CCOc1cc([C@@H]2CC(=O)Nc3nc(SC)[n-]c(=O)c32)ccc1O	ZINC000006748297	462703654	/nfs/dbraw/zinc/70/36/54/462703654.db2.gz	ZXHRLOJYCRPDOA-VIFPVBQESA-N	-1	1	347.396	2.483	50	0		EEAAMM
Cc1ccc(OCC(=O)Nn2cn[n-]c2=S)c(Br)c1	ZINC000009908693	462809245	/nfs/dbraw/zinc/80/92/45/462809245.db2.gz	IJWSAKVAFOZTMK-UHFFFAOYSA-N	-1	1	343.206	2.161	50	0		EEAAMM
Cc1n[nH]c(CCC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)n1	ZINC000095392771	463072943	/nfs/dbraw/zinc/07/29/43/463072943.db2.gz	CGDSCCAWBNKMMG-OAHLLOKOSA-N	-1	1	342.399	2.150	50	0		EEAAMM
CC[C@H](C(=O)Nc1nn2c([n-]1)nc(C)c(C)c2=O)c1ccccc1	ZINC000101809757	463382419	/nfs/dbraw/zinc/38/24/19/463382419.db2.gz	PKWYNGKNGDBYSE-ZDUSSCGKSA-N	-1	1	325.372	2.167	50	0		EEAAMM
CCc1ccc(NC(=S)c2c(N)nc(N3CCCC3)[n-]c2=O)cc1	ZINC000040385658	463454763	/nfs/dbraw/zinc/45/47/63/463454763.db2.gz	WPHJMERFRGIBBZ-UHFFFAOYSA-N	-1	1	343.456	2.302	50	0		EEAAMM
Cc1noc(C)c1CCCNC(=O)c1cnc(C(C)(C)C)[n-]c1=O	ZINC000082120339	463516234	/nfs/dbraw/zinc/51/62/34/463516234.db2.gz	RZZPABLUTCTZTN-UHFFFAOYSA-N	-1	1	332.404	2.035	50	0		EEAAMM
CCOCCC(=O)N1CCc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2C1	ZINC000219997380	464114346	/nfs/dbraw/zinc/11/43/46/464114346.db2.gz	FYDRMYXSXXGOBO-UHFFFAOYSA-N	-1	1	343.383	2.086	50	0		EEAAMM
CCOc1ccc(CN2CCC(C(=O)[O-])(n3cc(C)cn3)CC2)cn1	ZINC000072426619	1253494139	/nfs/dbraw/zinc/49/41/39/1253494139.db2.gz	BBTCIENGJONCSM-UHFFFAOYSA-N	-1	1	344.415	2.061	50	0		EEAAMM
COc1cc2[n-]c(=S)n(CCc3cnc[nH]3)c(=O)c2cc1OC	ZINC000005489811	810664215	/nfs/dbraw/zinc/66/42/15/810664215.db2.gz	GPCJJNLYQFWRAP-UHFFFAOYSA-N	-1	1	332.385	2.042	50	0		EEAAMM
CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCSC)c1	ZINC000023055345	202097792	/nfs/dbraw/zinc/09/77/92/202097792.db2.gz	LJNPBRSQNBANJY-UHFFFAOYSA-N	-1	1	346.474	2.114	50	0		EEAAMM
NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000026232546	202140435	/nfs/dbraw/zinc/14/04/35/202140435.db2.gz	JPSTWCBTXPOQIO-UHFFFAOYSA-N	-1	1	327.312	2.256	50	0		EEAAMM
COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1c(O)cc(C)[nH]c1=O	ZINC000072404504	203215123	/nfs/dbraw/zinc/21/51/23/203215123.db2.gz	YHKROGBGBYTBIY-JTQLQIEISA-N	-1	1	337.759	2.443	50	0		EEAAMM
CCn1c2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2oc1=O	ZINC000019936789	212088039	/nfs/dbraw/zinc/08/80/39/212088039.db2.gz	UNZGVLXGIDYZGV-UHFFFAOYSA-N	-1	1	348.380	2.424	50	0		EEAAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)cc2Cl)n1	ZINC000010059434	211145885	/nfs/dbraw/zinc/14/58/85/211145885.db2.gz	MIGGMOPKKJFYAX-UHFFFAOYSA-N	-1	1	345.211	2.390	50	0		EEAAMM
CCc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)C2CC2)n1	ZINC000012006620	207062117	/nfs/dbraw/zinc/06/21/17/207062117.db2.gz	BPUOPSFYQWAHSS-UHFFFAOYSA-N	-1	1	339.355	2.127	50	0		EEAAMM
COc1ccc([O-])c(C(=O)c2cnc3nc(C(F)(F)F)nn3c2)c1	ZINC000003324796	462616110	/nfs/dbraw/zinc/61/61/10/462616110.db2.gz	BUTIYSBRWBJGCA-UHFFFAOYSA-N	-1	1	338.245	2.088	50	0		EEAAMM
COc1ccccc1C[C@H](C(=O)Nc1ccc(C)cc1)c1nn[n-]n1	ZINC000006556770	462690521	/nfs/dbraw/zinc/69/05/21/462690521.db2.gz	RIHRLCLKVBTZDW-HNNXBMFYSA-N	-1	1	337.383	2.482	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)c2ccc3c(c2)OCO3)n1	ZINC000011027333	462826908	/nfs/dbraw/zinc/82/69/08/462826908.db2.gz	JHNJTJJNOLCBCY-UHFFFAOYSA-N	-1	1	332.381	2.426	50	0		EEAAMM
O=C(NCCCc1nc2ccccc2o1)c1cnc(C2CC2)[n-]c1=O	ZINC000091657255	462897443	/nfs/dbraw/zinc/89/74/43/462897443.db2.gz	MWXIMFRRJWEKBU-UHFFFAOYSA-N	-1	1	338.367	2.151	50	0		EEAAMM
CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000014097475	462911420	/nfs/dbraw/zinc/91/14/20/462911420.db2.gz	UCMXLUBSURHOSX-UHFFFAOYSA-N	-1	1	343.401	2.420	50	0		EEAAMM
COc1ccccc1NC(=O)Cc1sc(N2CCCC2)nc1[O-]	ZINC000014190787	462916735	/nfs/dbraw/zinc/91/67/35/462916735.db2.gz	BAQSRRQHSWATHU-CYBMUJFWSA-N	-1	1	333.413	2.118	50	0		EEAAMM
COc1ccccc1NC(=O)Cc1sc(N2CCCC2)nc1[O-]	ZINC000014190784	462917435	/nfs/dbraw/zinc/91/74/35/462917435.db2.gz	BAQSRRQHSWATHU-ZDUSSCGKSA-N	-1	1	333.413	2.118	50	0		EEAAMM
C[C@H](CCc1ccccc1)NC(=O)c1c([O-])nc2sccn2c1=O	ZINC000016690015	462987075	/nfs/dbraw/zinc/98/70/75/462987075.db2.gz	KRDHTJXRABCZJD-LLVKDONJSA-N	-1	1	343.408	2.213	50	0		EEAAMM
O=C(Cc1c([O-])[nH]c2ccccc2c1=O)NCc1ccccc1F	ZINC000018068437	463005420	/nfs/dbraw/zinc/00/54/20/463005420.db2.gz	KFWSTQQMRALWSX-UHFFFAOYSA-N	-1	1	326.327	2.232	50	0		EEAAMM
Cc1n[nH]c(CCC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1	ZINC000095392770	463072549	/nfs/dbraw/zinc/07/25/49/463072549.db2.gz	CGDSCCAWBNKMMG-HNNXBMFYSA-N	-1	1	342.399	2.150	50	0		EEAAMM
O=C([O-])[C@H]1Cc2nc[nH]c2CN1Cc1cnc(C2CCCCC2)nc1	ZINC000097610103	463359721	/nfs/dbraw/zinc/35/97/21/463359721.db2.gz	BIGSTJVFLFFTIV-MRXNPFEDSA-N	-1	1	341.415	2.259	50	0		EEAAMM
C[C@H](CN(C)C(=O)c1cc(F)cc(C(F)(F)F)c1)c1nn[n-]n1	ZINC000124694341	463453698	/nfs/dbraw/zinc/45/36/98/463453698.db2.gz	WGAWZTJRQAQURF-SSDOTTSWSA-N	-1	1	331.273	2.233	50	0		EEAAMM
Cn1ccc2c1cccc2OCC(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000252483881	464961769	/nfs/dbraw/zinc/96/17/69/464961769.db2.gz	FKOPYSOCNFYKRJ-UHFFFAOYSA-N	-1	1	339.277	2.333	50	0		EEAAMM
Cc1ccc2nc(CCNC(=O)c3cc(O)cc(C(=O)[O-])c3)[nH]c2c1	ZINC001772701375	1179282632	/nfs/dbraw/zinc/28/26/32/1179282632.db2.gz	LSBDNCCTDDFHHH-UHFFFAOYSA-N	-1	1	339.351	2.248	50	0		EEAAMM
Cc1ncsc1[C@H]1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21	ZINC000585655780	539980744	/nfs/dbraw/zinc/98/07/44/539980744.db2.gz	JPEXHRYSXBBIKK-JTQLQIEISA-N	-1	1	345.428	2.412	50	0		EEAAMM
COc1ccc(NC(=O)c2cccc(F)c2)cc1[N-]S(C)(=O)=O	ZINC000024831230	202121202	/nfs/dbraw/zinc/12/12/02/202121202.db2.gz	PUJIISZMOUXEOU-UHFFFAOYSA-N	-1	1	338.360	2.458	50	0		EEAAMM
COc1cc(NC(=O)c2ccc(F)cc2)ccc1[N-]S(C)(=O)=O	ZINC000032818583	202236530	/nfs/dbraw/zinc/23/65/30/202236530.db2.gz	JFOBSFRXWXOYPU-UHFFFAOYSA-N	-1	1	338.360	2.458	50	0		EEAAMM
COC(=O)C[C@H](c1ccc(F)cc1)c1c([O-])nc2ccccn2c1=O	ZINC000205974465	241043152	/nfs/dbraw/zinc/04/31/52/241043152.db2.gz	PILUFIMZFLYZQS-CYBMUJFWSA-N	-1	1	342.326	2.234	50	0		EEAAMM
Cc1noc(C)c1Cn1nc(CNc2cccc(Cl)c2)[n-]c1=O	ZINC000071280780	203088328	/nfs/dbraw/zinc/08/83/28/203088328.db2.gz	COSLRKAWSKOASX-UHFFFAOYSA-N	-1	1	333.779	2.490	50	0		EEAAMM
CC(C)CCC[C@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CCO1	ZINC000071771019	203111777	/nfs/dbraw/zinc/11/17/77/203111777.db2.gz	ZKMZVSNVSPRMBJ-AWEZNQCLSA-N	-1	1	333.432	2.315	50	0		EEAAMM
Cc1ccc2nc([C@@H]3CCCN3C(=O)CCc3cc(=O)[n-]o3)[nH]c2c1	ZINC000072454805	203228049	/nfs/dbraw/zinc/22/80/49/203228049.db2.gz	ZOBLRZFKDRVNCN-HNNXBMFYSA-N	-1	1	340.383	2.449	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)NCCc2ccccc2)n1	ZINC000010077235	211146182	/nfs/dbraw/zinc/14/61/82/211146182.db2.gz	OATXIUIPLOPONW-UHFFFAOYSA-N	-1	1	331.441	2.173	50	0		EEAAMM
COc1ccc(OC)c(/N=c2\oc3cc([O-])ccc3cc2C(N)=O)c1	ZINC000100034071	295174236	/nfs/dbraw/zinc/17/42/36/295174236.db2.gz	KZEADLVWXDALNK-ZZEZOPTASA-N	-1	1	340.335	2.487	50	0		EEAAMM
CCCCN1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCC[C@H]32)C1=O	ZINC000005764832	462669040	/nfs/dbraw/zinc/66/90/40/462669040.db2.gz	BBOXZIRYWIRVKD-HNAYVOBHSA-N	-1	1	341.411	2.076	50	0	biogenic	EEAAMM
Cc1cccc(C)c1[N-]S(=O)(=O)c1c(C)nc2sccn2c1=O	ZINC000006859754	462708845	/nfs/dbraw/zinc/70/88/45/462708845.db2.gz	LVVYSQYHNNQVRQ-UHFFFAOYSA-N	-1	1	349.437	2.482	50	0		EEAAMM
O=C1CCc2cc(S(=O)(=O)[N-]c3ccc4c[nH]nc4c3)ccc2N1	ZINC000007285326	462729221	/nfs/dbraw/zinc/72/92/21/462729221.db2.gz	TWZQYHBYHCDWQG-UHFFFAOYSA-N	-1	1	342.380	2.248	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2OC(F)F)n1	ZINC000009143554	462799539	/nfs/dbraw/zinc/79/95/39/462799539.db2.gz	PAMHOSKQUOKHJC-UHFFFAOYSA-N	-1	1	341.339	2.411	50	0		EEAAMM
CCC[C@@H]1COCCN1C(=O)c1cnc(-c2ccc(C)cc2)[n-]c1=O	ZINC000091620682	462892155	/nfs/dbraw/zinc/89/21/55/462892155.db2.gz	TYZWNQKJSYGEAO-OAHLLOKOSA-N	-1	1	341.411	2.386	50	0		EEAAMM
CCc1csc(CNC(=O)c2cnc(-c3ccccn3)[n-]c2=O)n1	ZINC000091620957	462893201	/nfs/dbraw/zinc/89/32/01/462893201.db2.gz	WMIXJKPCWZLMSB-UHFFFAOYSA-N	-1	1	341.396	2.193	50	0		EEAAMM
COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(Cc3cscn3)C[C@H]21	ZINC000095507995	463098024	/nfs/dbraw/zinc/09/80/24/463098024.db2.gz	OKTCNPWJIMXMRU-RHSMWYFYSA-N	-1	1	346.408	2.215	50	0		EEAAMM
CCSc1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2C(=O)[O-])s1	ZINC000096160073	463190505	/nfs/dbraw/zinc/19/05/05/463190505.db2.gz	YWXDBBUWUZLZFP-LBPRGKRZSA-N	-1	1	337.426	2.407	50	0		EEAAMM
O=c1[n-]c(C2CC2)ncc1-c1nc([C@H]2CCOC2)nn1-c1ccccc1	ZINC000097475592	463358076	/nfs/dbraw/zinc/35/80/76/463358076.db2.gz	NBJOWDZCKGBKKG-ZDUSSCGKSA-N	-1	1	349.394	2.399	50	0		EEAAMM
CC(C)CCNC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1	ZINC000101830909	463382578	/nfs/dbraw/zinc/38/25/78/463382578.db2.gz	RMDJLYSMNDKTLZ-UHFFFAOYSA-N	-1	1	339.461	2.318	50	0		EEAAMM
CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccccc1C(C)C	ZINC000032895469	463400354	/nfs/dbraw/zinc/40/03/54/463400354.db2.gz	VZYKXJLUNUEOLF-UHFFFAOYSA-N	-1	1	338.385	2.478	50	0		EEAAMM
COc1ccc(NCc2nn(Cc3ccccc3F)c(=O)[n-]2)cc1	ZINC000036559164	202326300	/nfs/dbraw/zinc/32/63/00/202326300.db2.gz	VXFBXJWFOKCVIR-UHFFFAOYSA-N	-1	1	328.347	2.380	50	0		EEAAMM
O=C(CCc1ccccc1)Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000102240411	204034343	/nfs/dbraw/zinc/03/43/43/204034343.db2.gz	MVIFHVYKZQGVTC-UHFFFAOYSA-N	-1	1	325.393	2.388	50	0		EEAAMM
O=[P@]([O-])(O)[C@@H](NCc1ccccc1)c1ccc2c(c1)OCCO2	ZINC000012997503	207263999	/nfs/dbraw/zinc/26/39/99/207263999.db2.gz	HQMJHZUOFAHJLE-MRXNPFEDSA-N	-1	1	335.296	2.424	50	0		EEAAMM
CC(C)(C)N1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCC[C@H]32)C1=O	ZINC000002225783	275512052	/nfs/dbraw/zinc/51/20/52/275512052.db2.gz	PHXZBGRTUVTVDN-IFXJQAMLSA-N	-1	1	341.411	2.075	50	0		EEAAMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000121914922	302559624	/nfs/dbraw/zinc/55/96/24/302559624.db2.gz	XUNRRJFIQDDOGF-ORAYPTAESA-N	-1	1	347.459	2.143	50	0		EEAAMM
CC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000001003783	462574477	/nfs/dbraw/zinc/57/44/77/462574477.db2.gz	CDBMRWUWCWRHQI-UHFFFAOYSA-N	-1	1	349.437	2.320	50	0		EEAAMM
O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccc2c(c1)OCCO2	ZINC000005827409	462669749	/nfs/dbraw/zinc/66/97/49/462669749.db2.gz	UFOFWCPWSIJANU-UHFFFAOYSA-N	-1	1	331.353	2.135	50	0		EEAAMM
CCCCN1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C1=O	ZINC000009010120	462797638	/nfs/dbraw/zinc/79/76/38/462797638.db2.gz	BBOXZIRYWIRVKD-DNVCBOLYSA-N	-1	1	341.411	2.076	50	0	biogenic	EEAAMM
C[C@H](NC(=O)CCc1n[nH]c(=S)[n-]c1=O)c1ccccc1Cl	ZINC000012737656	462864488	/nfs/dbraw/zinc/86/44/88/462864488.db2.gz	WUNUTICBWZKOQM-QMMMGPOBSA-N	-1	1	338.820	2.291	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)NCc2ccc(C)cc2)n1	ZINC000013778905	462903191	/nfs/dbraw/zinc/90/31/91/462903191.db2.gz	YXBKSLRKEYKNIZ-UHFFFAOYSA-N	-1	1	331.441	2.439	50	0		EEAAMM
CN(Cc1cc(C2CC2)[nH]n1)[C@@H](C(=O)[O-])c1cccc2c1OCC2	ZINC000095523814	463103731	/nfs/dbraw/zinc/10/37/31/463103731.db2.gz	ZOWRYONIQOBULL-MRXNPFEDSA-N	-1	1	327.384	2.480	50	0		EEAAMM
O=C([O-])[C@@H]1Cc2nc[nH]c2CN1Cc1cnc(C2CCCCC2)nc1	ZINC000097610104	463359623	/nfs/dbraw/zinc/35/96/23/463359623.db2.gz	BIGSTJVFLFFTIV-INIZCTEOSA-N	-1	1	341.415	2.259	50	0		EEAAMM
COc1ccc2oc(C)c(C(=O)N(C)C[C@H](C)c3nn[n-]n3)c2c1	ZINC000124523887	463432785	/nfs/dbraw/zinc/43/27/85/463432785.db2.gz	UYKWDKLFUXMDJP-VIFPVBQESA-N	-1	1	329.360	2.139	50	0		EEAAMM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1	ZINC000110689301	463662681	/nfs/dbraw/zinc/66/26/81/463662681.db2.gz	WMVSJEKCVWZAFF-JJRVBVJISA-N	-1	1	335.363	2.489	50	0		EEAAMM
Cc1n[nH]c(C2CC2)c1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000299769782	465883332	/nfs/dbraw/zinc/88/33/32/465883332.db2.gz	UVMCRHWMTRMLKT-CQSZACIVSA-N	-1	1	325.368	2.247	50	0		EEAAMM
C[C@H](c1n[nH]c(=O)[n-]1)n1ccnc1-c1cccc2c1OC(F)(F)O2	ZINC000071721453	1253370345	/nfs/dbraw/zinc/37/03/45/1253370345.db2.gz	JPVVQFUCGQMOER-SSDOTTSWSA-N	-1	1	335.270	2.305	50	0		EEAAMM
Cc1[n-][nH]c(=O)c1CC(=O)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1	ZINC000055309020	214305576	/nfs/dbraw/zinc/30/55/76/214305576.db2.gz	DGBBCKVSQWIOGJ-HNNXBMFYSA-N	-1	1	347.390	2.313	50	0		EEAAMM
CSc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc2[n-]cnn23)cc1	ZINC000004625689	210234364	/nfs/dbraw/zinc/23/43/64/210234364.db2.gz	ILKVPRDTONECIW-SNVBAGLBSA-N	-1	1	327.369	2.026	50	0		EEAAMM
O=C([O-])C1(n2cccn2)CCN(Cc2nc3c(s2)CCCC3)CC1	ZINC000072472870	216249950	/nfs/dbraw/zinc/24/99/50/216249950.db2.gz	SBMQBSDKBSRFJH-UHFFFAOYSA-N	-1	1	346.456	2.294	50	0		EEAAMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1	ZINC000020491496	212138384	/nfs/dbraw/zinc/13/83/84/212138384.db2.gz	ZJLYEWXWTOBMMQ-UHFFFAOYSA-N	-1	1	332.381	2.435	50	0		EEAAMM
O=C([N-][C@@H]1CN(CCCO)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000110710610	220061130	/nfs/dbraw/zinc/06/11/30/220061130.db2.gz	PKMCUJUNGFRVHB-ZIAGYGMSSA-N	-1	1	348.340	2.045	50	0		EEAAMM
COc1ccccc1NC(=O)[C@@H](C)Sc1nc2c(c(=O)[n-]1)CCC2	ZINC000011902951	211264433	/nfs/dbraw/zinc/26/44/33/211264433.db2.gz	KVEDOVUQCYZMMW-SNVBAGLBSA-N	-1	1	345.424	2.387	50	0		EEAAMM
CCn1cc(CN(Cc2cc(=O)n3[n-]c(C)cc3n2)CC(C)C)cn1	ZINC000334159683	258004733	/nfs/dbraw/zinc/00/47/33/258004733.db2.gz	KTNDZKXNCJJDNL-UHFFFAOYSA-N	-1	1	342.447	2.206	50	0		EEAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1	ZINC000000109315	462542319	/nfs/dbraw/zinc/54/23/19/462542319.db2.gz	AOENGEMKZXGRPE-AWEZNQCLSA-N	-1	1	330.409	2.399	50	0		EEAAMM
Cc1cnc(NC(=O)c2c([O-])n3c4c(cccc4c2=O)CC3)s1	ZINC000001241972	462577710	/nfs/dbraw/zinc/57/77/10/462577710.db2.gz	NLNWELMYANIEDV-UHFFFAOYSA-N	-1	1	327.365	2.280	50	0		EEAAMM
Cc1cc(NC(=O)Cc2cccs2)n(-c2nc(C)c(C)c(=O)[n-]2)n1	ZINC000007421378	462735573	/nfs/dbraw/zinc/73/55/73/462735573.db2.gz	KTEKUMAKIOEXOO-UHFFFAOYSA-N	-1	1	343.412	2.124	50	0		EEAAMM
CCN(CC)c1nc([O-])c(CC(=O)Nc2ccc(OC)cc2)s1	ZINC000008704640	462792002	/nfs/dbraw/zinc/79/20/02/462792002.db2.gz	FEQMOSUEGFIADS-CYBMUJFWSA-N	-1	1	335.429	2.364	50	0		EEAAMM
O=C(Nc1nn2c([n-]1)nc(-c1ccccc1)cc2=O)c1cccs1	ZINC000100907184	463375996	/nfs/dbraw/zinc/37/59/96/463375996.db2.gz	RTBCSFYTLMXUMY-UHFFFAOYSA-N	-1	1	337.364	2.398	50	0		EEAAMM
CCCn1cc(C(=O)Nc2ccc(Oc3nnn[n-]3)cc2)c(C)n1	ZINC000952974549	796117121	/nfs/dbraw/zinc/11/71/21/796117121.db2.gz	JPUCGEIRRLICFM-UHFFFAOYSA-N	-1	1	327.348	2.159	50	0		EEAAMM
CCCn1cc(C(=O)Nc2ccc(Oc3nn[n-]n3)cc2)c(C)n1	ZINC000952974549	796117123	/nfs/dbraw/zinc/11/71/23/796117123.db2.gz	JPUCGEIRRLICFM-UHFFFAOYSA-N	-1	1	327.348	2.159	50	0		EEAAMM
Cc1nc[nH]c1CN1CCC(C(=O)[O-])(n2ccc(C(C)C)n2)CC1	ZINC000072406751	216196813	/nfs/dbraw/zinc/19/68/13/216196813.db2.gz	MXSGBVQOPYCDFG-UHFFFAOYSA-N	-1	1	331.420	2.114	50	0		EEAAMM
Cn1cc([C@H](NC(=O)c2cc(Cl)ccc2[O-])C2CC(O)C2)cn1	ZINC000219462373	241388740	/nfs/dbraw/zinc/38/87/40/241388740.db2.gz	ZVHIPGHUWZQUIO-DKBDQHFASA-N	-1	1	335.791	2.021	50	0		EEAAMM
CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C	ZINC000019936539	212087203	/nfs/dbraw/zinc/08/72/03/212087203.db2.gz	RPIZWZMDGVCBBA-UHFFFAOYSA-N	-1	1	332.381	2.495	50	0		EEAAMM
O=c1[n-]c(C2CC2)ncc1-c1nc([C@@H]2CCOC2)nn1-c1ccccc1	ZINC000097475591	219028675	/nfs/dbraw/zinc/02/86/75/219028675.db2.gz	NBJOWDZCKGBKKG-CYBMUJFWSA-N	-1	1	349.394	2.399	50	0		EEAAMM
O=C([O-])CCc1cc2n(n1)CCCN(CCC(F)(F)C(F)F)C2	ZINC000072470501	258065130	/nfs/dbraw/zinc/06/51/30/258065130.db2.gz	YGZRGYACISGWCF-UHFFFAOYSA-N	-1	1	337.317	2.397	50	0		EEAAMM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3=O)c(C)c1	ZINC000005881809	301200231	/nfs/dbraw/zinc/20/02/31/301200231.db2.gz	BWBNPEAPQJTWKY-UHFFFAOYSA-N	-1	1	344.392	2.296	50	0		EEAAMM
O=C([O-])COc1ccc(-c2cnccn2)cc1CN1CCSCC1	ZINC000534654991	468271159	/nfs/dbraw/zinc/27/11/59/468271159.db2.gz	HSHCOOKBKMQIMT-UHFFFAOYSA-N	-1	1	345.424	2.156	50	0		EEAAMM
CC(=O)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[n-]1)CCCC2	ZINC000012010115	462841916	/nfs/dbraw/zinc/84/19/16/462841916.db2.gz	OWADVOGRIMVFRV-UHFFFAOYSA-N	-1	1	339.355	2.053	50	0		EEAAMM
CCn1c(COc2ccc(=O)n(-c3ccccc3)n2)n[n-]c1=S	ZINC000013143081	462885495	/nfs/dbraw/zinc/88/54/95/462885495.db2.gz	TWTUWKBNPUWORE-UHFFFAOYSA-N	-1	1	329.385	2.085	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)o1	ZINC000032980310	463405992	/nfs/dbraw/zinc/40/59/92/463405992.db2.gz	WPOIJGIGCNEBHA-UHFFFAOYSA-N	-1	1	346.408	2.117	50	0		EEAAMM
COc1cccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c1	ZINC000033307502	463421287	/nfs/dbraw/zinc/42/12/87/463421287.db2.gz	LNSLEMCIFYRYLJ-UHFFFAOYSA-N	-1	1	344.396	2.136	50	0		EEAAMM
CCOC(=O)[C@H]1[C@@H](c2ccc(C)cc2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000035323675	463431426	/nfs/dbraw/zinc/43/14/26/463431426.db2.gz	LEZXGXIDEPLCAG-JCKWVBRZSA-N	-1	1	330.384	2.042	50	0		EEAAMM
COc1ccccc1N1CCN(C(=O)c2ncccc2[O-])[C@@H](C)C1	ZINC000072474490	1286345763	/nfs/dbraw/zinc/34/57/63/1286345763.db2.gz	SMCBHWOITWKZBA-ZDUSSCGKSA-N	-1	1	327.384	2.147	50	0		EEAAMM
COc1ccc(NC(=O)C(O)=CC(=O)c2ccc(OC)cc2)cc1	ZINC000101354835	219124327	/nfs/dbraw/zinc/12/43/27/219124327.db2.gz	OBNJZFGWKGVCKL-UHFFFAOYSA-N	-1	1	327.336	2.484	50	0		EEAAMM
COc1ccc(NC(=O)C([O-])=CC(=O)c2ccc(OC)cc2)cc1	ZINC000101354835	219124329	/nfs/dbraw/zinc/12/43/29/219124329.db2.gz	OBNJZFGWKGVCKL-UHFFFAOYSA-N	-1	1	327.336	2.484	50	0		EEAAMM
CCNC(=O)COc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000032629079	212821082	/nfs/dbraw/zinc/82/10/82/212821082.db2.gz	YEEKPKDXOAQZJJ-UHFFFAOYSA-N	-1	1	334.397	2.002	50	0		EEAAMM
Cc1c(CC(=O)N2CCC(C)CC2)c(=O)oc2cc(O)cc([O-])c12	ZINC000008764574	211002928	/nfs/dbraw/zinc/00/29/28/211002928.db2.gz	CMNMRWXYPYOTMM-UHFFFAOYSA-N	-1	1	331.368	2.314	50	0	biogenic	EEAAMM
O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C1=O	ZINC000334162569	258016098	/nfs/dbraw/zinc/01/60/98/258016098.db2.gz	AQQJLFXSEXNYTR-UHFFFAOYSA-N	-1	1	336.756	2.276	50	0		EEAAMM
C[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1ncccc1[O-]	ZINC000082120507	279882006	/nfs/dbraw/zinc/88/20/06/279882006.db2.gz	GAKMMMMAQSZDGP-NSHDSACASA-N	-1	1	345.786	2.318	50	0		EEAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1	ZINC000000157534	462544594	/nfs/dbraw/zinc/54/45/94/462544594.db2.gz	WCTKCLAEBREPFG-UHFFFAOYSA-N	-1	1	348.380	2.217	50	0		EEAAMM
COc1cccc(NCc2nn(Cc3ccccc3F)c(=O)[n-]2)c1	ZINC000061720294	462597381	/nfs/dbraw/zinc/59/73/81/462597381.db2.gz	ZOIUPMJKPIVFGU-UHFFFAOYSA-N	-1	1	328.347	2.380	50	0		EEAAMM
COc1ccc(NC(=O)CSc2nccc(=O)[n-]2)cc1Cl	ZINC000005237503	462650952	/nfs/dbraw/zinc/65/09/52/462650952.db2.gz	YFFRNWSBQXSLEI-UHFFFAOYSA-N	-1	1	325.777	2.163	50	0		EEAAMM
CCc1c(C)nc(SCC(=O)Nc2cccc(OC)c2)[n-]c1=O	ZINC000005877143	462671616	/nfs/dbraw/zinc/67/16/16/462671616.db2.gz	KRIHSQNSEOVIMM-UHFFFAOYSA-N	-1	1	333.413	2.380	50	0		EEAAMM
COc1ccc(C[C@H](C(=O)Nc2ccc(F)cc2)c2nn[n-]n2)cc1	ZINC000006520721	462688358	/nfs/dbraw/zinc/68/83/58/462688358.db2.gz	BMHYYOCNADAPOC-HNNXBMFYSA-N	-1	1	341.346	2.312	50	0		EEAAMM
CCN(CC)c1ccc(NC(=O)CCc2n[nH]c(=S)[n-]c2=O)cc1	ZINC000012555208	462857315	/nfs/dbraw/zinc/85/73/15/462857315.db2.gz	VIQQNVGLPOGPLA-UHFFFAOYSA-N	-1	1	347.444	2.245	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)cc1	ZINC000032833665	463399314	/nfs/dbraw/zinc/39/93/14/463399314.db2.gz	QRALOIWMBMVRNS-UHFFFAOYSA-N	-1	1	344.396	2.292	50	0		EEAAMM
O=C([O-])C[C@@H](NCc1cccnc1)C(=O)Nc1ccc(Cl)cc1	ZINC000004687278	210248237	/nfs/dbraw/zinc/24/82/37/210248237.db2.gz	FNCOSULZIIHAIG-CQSZACIVSA-N	-1	1	333.775	2.307	50	0		EEAAMM
CCCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000037104629	213132868	/nfs/dbraw/zinc/13/28/68/213132868.db2.gz	JGSZTCBKBSLKBV-UHFFFAOYSA-N	-1	1	326.418	2.305	50	0		EEAAMM
CNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc21	ZINC000035480171	213031842	/nfs/dbraw/zinc/03/18/42/213031842.db2.gz	ZMULZJGWWKAYKJ-UHFFFAOYSA-N	-1	1	349.387	2.328	50	0		EEAAMM
O=C([O-])c1cccc(C[C@H]2CCN(C(=O)CN3CCCCC3)C2)c1	ZINC000072148287	216034905	/nfs/dbraw/zinc/03/49/05/216034905.db2.gz	SSRJIGMSSODFBB-MRXNPFEDSA-N	-1	1	330.428	2.262	50	0		EEAAMM
Cc1ccc(-c2ncc(C(=O)N3CCc4ncccc4C3)c(=O)[n-]2)cc1	ZINC000091461964	218009901	/nfs/dbraw/zinc/00/99/01/218009901.db2.gz	CGLDLDGFUIRBNE-UHFFFAOYSA-N	-1	1	346.390	2.339	50	0		EEAAMM
CCONC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000008923776	211018417	/nfs/dbraw/zinc/01/84/17/211018417.db2.gz	KLIFGFYNSNRICE-UHFFFAOYSA-N	-1	1	338.360	2.308	50	0		EEAAMM
CCOC(=O)[C@@]([N-]c1ccccc1OC)(NC(=O)CC)C(F)(F)F	ZINC000002311357	462591398	/nfs/dbraw/zinc/59/13/98/462591398.db2.gz	WZXXNPYPOLXNDD-CQSZACIVSA-N	-1	1	348.321	2.455	50	0		EEAAMM
CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc(N)cc(=O)[n-]1	ZINC000006313396	462682361	/nfs/dbraw/zinc/68/23/61/462682361.db2.gz	IDLOHELZBOBHFO-UHFFFAOYSA-N	-1	1	346.456	2.272	50	0		EEAAMM
COC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000006703184	462698800	/nfs/dbraw/zinc/69/88/00/462698800.db2.gz	UTBUKOHGAOHLEI-ZDUSSCGKSA-N	-1	1	348.424	2.252	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCc2cc(=O)n3c(C)cccc3n2)n1	ZINC000014108983	462911158	/nfs/dbraw/zinc/91/11/58/462911158.db2.gz	PVOHMKSMMJUKJT-UHFFFAOYSA-N	-1	1	342.424	2.331	50	0		EEAAMM
CC(C)CN1C(=O)C(=CNC2CCCCCCC2)C(=O)[N-]C1=S	ZINC000023584636	463068975	/nfs/dbraw/zinc/06/89/75/463068975.db2.gz	BEVRCHMVZVGAJK-UVTDQMKNSA-N	-1	1	337.489	2.472	50	0		EEAAMM
Cn1cnc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c1Cl	ZINC000027967490	463212127	/nfs/dbraw/zinc/21/21/27/463212127.db2.gz	ILUJCYFNYXKXRB-UHFFFAOYSA-N	-1	1	325.821	2.084	50	0		EEAAMM
CCOC(=O)C[C@H](c1nn[n-]n1)c1cccc(Br)c1	ZINC000096341568	463234984	/nfs/dbraw/zinc/23/49/84/463234984.db2.gz	HJCJLZLNAYHXSS-JTQLQIEISA-N	-1	1	325.166	2.047	50	0		EEAAMM
CCn1c(CN2CCN(c3ccccc3OC)CC2)n[n-]c1=S	ZINC000023634309	682017741	/nfs/dbraw/zinc/01/77/41/682017741.db2.gz	VWQGMBMCCUXKQT-UHFFFAOYSA-N	-1	1	333.461	2.291	50	0		EEAAMM
Cc1cc(=O)[n-]c(NN=Cc2ccc(OC(=O)c3cccnc3)cc2)n1	ZINC000012728687	1205837866	/nfs/dbraw/zinc/83/78/66/1205837866.db2.gz	ABTZQJGJALODCB-UHFFFAOYSA-N	-1	1	349.350	2.139	50	0		EEAAMM
Cn1cc([C@@H](NC(=O)c2ccc(Cl)cc2[O-])[C@H]2C[C@@H](O)C2)cn1	ZINC000244884162	243096563	/nfs/dbraw/zinc/09/65/63/243096563.db2.gz	YGOORGUYNHNUAL-UAKXVISKSA-N	-1	1	335.791	2.021	50	0		EEAAMM
C[C@H](c1ccon1)N(C)C(=O)c1cnc(-c2ccccn2)[n-]c1=O	ZINC000091425997	218003585	/nfs/dbraw/zinc/00/35/85/218003585.db2.gz	HQSMXELTDYBLFQ-SNVBAGLBSA-N	-1	1	325.328	2.065	50	0		EEAAMM
COC[C@]1(O)CCN(C(=O)c2ccc(Cl)cc2[O-])CC1(C)C	ZINC000091725813	218054494	/nfs/dbraw/zinc/05/44/94/218054494.db2.gz	ZVTADXQDUBMSSE-MRXNPFEDSA-N	-1	1	327.808	2.295	50	0		EEAAMM
C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(F)cc(F)c2)C1=O	ZINC000008772484	211003877	/nfs/dbraw/zinc/00/38/77/211003877.db2.gz	REJGZHQBOYNBQT-KRWDZBQOSA-N	-1	1	345.305	2.077	50	0		EEAAMM
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000007052366	208577937	/nfs/dbraw/zinc/57/79/37/208577937.db2.gz	UAFPASLELYGQIC-UHFFFAOYSA-N	-1	1	333.365	2.461	50	0		EEAAMM
O=c1[nH]nc(SCc2cc(=O)oc3cc([O-])ccc23)n1C1CC1	ZINC000008503834	462786884	/nfs/dbraw/zinc/78/68/84/462786884.db2.gz	UUYLCJVCGWDBSV-UHFFFAOYSA-N	-1	1	331.353	2.011	50	0		EEAAMM
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000013464168	462892684	/nfs/dbraw/zinc/89/26/84/462892684.db2.gz	SPFKLWOCXLPDNT-UHFFFAOYSA-N	-1	1	337.353	2.203	50	0		EEAAMM
CC(C)(C)NC(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[n-]1	ZINC000017722864	463001303	/nfs/dbraw/zinc/00/13/03/463001303.db2.gz	SQOHFXHSPPSQCC-UHFFFAOYSA-N	-1	1	332.429	2.026	50	0		EEAAMM
Cc1cc2cccc(C(=O)N3CCc4nc[nH]c4[C@H]3C(=O)[O-])c2o1	ZINC000096138334	463184788	/nfs/dbraw/zinc/18/47/88/463184788.db2.gz	UYVQQOZKMPISEU-AWEZNQCLSA-N	-1	1	325.324	2.289	50	0		EEAAMM
O=C(c1ncccc1[O-])N1CCC[C@@H](c2nccn2CC2CC2)C1	ZINC000082119907	463515425	/nfs/dbraw/zinc/51/54/25/463515425.db2.gz	PJXOSKLTNVWGHT-CQSZACIVSA-N	-1	1	326.400	2.414	50	0		EEAAMM
COc1cc(NC(=O)c2cccc(F)c2)ccc1[N-]S(C)(=O)=O	ZINC000029968127	212686679	/nfs/dbraw/zinc/68/66/79/212686679.db2.gz	QPMXTLBYMWLUQP-UHFFFAOYSA-N	-1	1	338.360	2.458	50	0		EEAAMM
Nn1c(CCC(=O)Nc2ccccc2C(F)(F)F)n[n-]c1=S	ZINC000019898219	212080415	/nfs/dbraw/zinc/08/04/15/212080415.db2.gz	OSOMBZGGNVMYLO-UHFFFAOYSA-N	-1	1	331.323	2.245	50	0		EEAAMM
C[C@@H](NC(=O)c1ccc2nc(-c3ccccc3)cn2c1)c1nn[n-]n1	ZINC000095387643	218319100	/nfs/dbraw/zinc/31/91/00/218319100.db2.gz	ALLRRTKMOPTKDI-LLVKDONJSA-N	-1	1	333.355	2.005	50	0		EEAAMM
O=S(=O)([N-]C[C@@H]1COC2(CCCCC2)O1)c1cc(F)ccc1F	ZINC000004941265	210333373	/nfs/dbraw/zinc/33/33/73/210333373.db2.gz	CAPCJDGOGATGKB-GFCCVEGCSA-N	-1	1	347.383	2.319	50	0		EEAAMM
O=C(CSc1n[nH]c(-c2ccncc2)n1)c1ccc([O-])cc1O	ZINC000000285772	462552059	/nfs/dbraw/zinc/55/20/59/462552059.db2.gz	WTXRGOURYPVVCY-UHFFFAOYSA-N	-1	1	328.353	2.253	50	0		EEAAMM
C[C@H](c1ccon1)N(C)C(=O)c1cnc(-c2cccnc2)[n-]c1=O	ZINC000092028425	462921288	/nfs/dbraw/zinc/92/12/88/462921288.db2.gz	MUCOGKFATYSMFG-SNVBAGLBSA-N	-1	1	325.328	2.065	50	0		EEAAMM
CN(Cc1n[nH]c2c1CCCCC2)[C@@H](C(=O)[O-])c1ccc(CO)cc1	ZINC000095506992	463097779	/nfs/dbraw/zinc/09/77/79/463097779.db2.gz	LPVNERBZWPJJQU-GOSISDBHSA-N	-1	1	343.427	2.429	50	0		EEAAMM
COc1cc(C)cc(OC)c1[C@H](C(=O)[O-])N1CCN(CC2CC2)CC1	ZINC000095527775	463105278	/nfs/dbraw/zinc/10/52/78/463105278.db2.gz	HIPZYRPNPCQGGF-GOSISDBHSA-N	-1	1	348.443	2.166	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C)o1	ZINC000031525494	463343257	/nfs/dbraw/zinc/34/32/57/463343257.db2.gz	FVJGJTCAGGZPRL-UHFFFAOYSA-N	-1	1	328.777	2.402	50	0		EEAAMM
Cc1nc(-c2ccccc2)oc1C(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000124410459	463419603	/nfs/dbraw/zinc/41/96/03/463419603.db2.gz	DVLRJDLCQJXLTN-JTQLQIEISA-N	-1	1	326.360	2.039	50	0		EEAAMM
CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl)N(C)C	ZINC000125329090	463531955	/nfs/dbraw/zinc/53/19/55/463531955.db2.gz	ZMNJSGGZQNYWBV-ZDUSSCGKSA-N	-1	1	332.853	2.016	50	0		EEAAMM
CN(C)[C@H](CNC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C)c1cccc(Cl)c1	ZINC000106810274	463539260	/nfs/dbraw/zinc/53/92/60/463539260.db2.gz	JUFLYIZPSNNLCS-MGPQQGTHSA-N	-1	1	338.835	2.416	50	0		EEAAMM
O=C([O-])[C@H](CC(=O)Nc1cc(Cl)ccc1Cl)N1CCOCC1	ZINC000004280191	210161333	/nfs/dbraw/zinc/16/13/33/210161333.db2.gz	VSBFLSMLPGGPQJ-LBPRGKRZSA-N	-1	1	347.198	2.107	50	0		EEAAMM
Cc1cccnc1CN1CCN(Cc2ccccc2C(=O)[O-])CC1	ZINC000067432583	215145037	/nfs/dbraw/zinc/14/50/37/215145037.db2.gz	ZWGPTXKMCFHWRP-UHFFFAOYSA-N	-1	1	325.412	2.406	50	0		EEAAMM
Nc1nc(N2CCCC2)[n-]c(=O)c1C(=S)Nc1ccc(Cl)cc1	ZINC000040385655	213295735	/nfs/dbraw/zinc/29/57/35/213295735.db2.gz	MJDZQIYWRBUJGM-UHFFFAOYSA-N	-1	1	349.847	2.393	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccccc1Cl	ZINC000036584585	213100759	/nfs/dbraw/zinc/10/07/59/213100759.db2.gz	ZBAWTDYUQZKWJO-UHFFFAOYSA-N	-1	1	331.763	2.363	50	0		EEAAMM
Cc1nc(CN2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)c[nH]1	ZINC000072411322	216204106	/nfs/dbraw/zinc/20/41/06/216204106.db2.gz	MHEBLKPJMXIZST-UHFFFAOYSA-N	-1	1	331.420	2.114	50	0		EEAAMM
NC(=O)c1cccc(CNC(=O)c2cc(Br)ccc2[O-])c1	ZINC000025333169	212474412	/nfs/dbraw/zinc/47/44/12/212474412.db2.gz	ZWOXUFIHTQIHLI-UHFFFAOYSA-N	-1	1	349.184	2.184	50	0		EEAAMM
COc1ccc(NC(=O)c2ccccc2F)cc1[N-]S(C)(=O)=O	ZINC000012825666	211466919	/nfs/dbraw/zinc/46/69/19/211466919.db2.gz	ZTFAQWSKPINYFJ-UHFFFAOYSA-N	-1	1	338.360	2.458	50	0		EEAAMM
Cc1ccc(-c2ncc(C(=O)NCc3ccc(O)cc3)c(=O)[n-]2)cc1	ZINC000091452494	218008735	/nfs/dbraw/zinc/00/87/35/218008735.db2.gz	VIXGMLMSEAPNPS-UHFFFAOYSA-N	-1	1	335.363	2.381	50	0		EEAAMM
O=C([O-])c1ccc(CN2CCN(Cc3ccccc3CO)CC2)cc1	ZINC000055060538	258061359	/nfs/dbraw/zinc/06/13/59/258061359.db2.gz	PGMYLJGBIWBICP-UHFFFAOYSA-N	-1	1	340.423	2.195	50	0		EEAAMM
O=S(=O)([N-]C[C@](O)(c1ccco1)C1CC1)c1cc(F)ccc1F	ZINC000075154952	462686978	/nfs/dbraw/zinc/68/69/78/462686978.db2.gz	ZDSHGEBQZZGBJB-OAHLLOKOSA-N	-1	1	343.351	2.134	50	0		EEAAMM
COc1ccc(NC(=O)[C@@H](Cc2cccc(C)c2)c2nn[n-]n2)cc1	ZINC000006556967	462690867	/nfs/dbraw/zinc/69/08/67/462690867.db2.gz	CAURSVOYNSIBQT-INIZCTEOSA-N	-1	1	337.383	2.482	50	0		EEAAMM
CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cccs2)[n-]c1=O	ZINC000007422206	462734418	/nfs/dbraw/zinc/73/44/18/462734418.db2.gz	IWFRORWKLBPEQF-UHFFFAOYSA-N	-1	1	343.412	2.449	50	0		EEAAMM
COc1ccc(OC)c(NC(=O)CSc2nc(C)c(C)c(=O)[n-]2)c1	ZINC000017957791	463003365	/nfs/dbraw/zinc/00/33/65/463003365.db2.gz	ZYBPVQLFFYFSGJ-UHFFFAOYSA-N	-1	1	349.412	2.135	50	0		EEAAMM
O=C(CSc1nc2[nH]cnc2c(=O)[n-]1)N1CCCc2ccccc21	ZINC000021807858	463041060	/nfs/dbraw/zinc/04/10/60/463041060.db2.gz	AYCPSERFKDTXAU-UHFFFAOYSA-N	-1	1	341.396	2.130	50	0		EEAAMM
COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC3)cc2)cc1	ZINC000030020147	463285917	/nfs/dbraw/zinc/28/59/17/463285917.db2.gz	XZPGIJJNLSQQLK-UHFFFAOYSA-N	-1	1	346.408	2.342	50	0		EEAAMM
O=C([O-])CCN1CCN(Cc2cccc(F)c2C(F)(F)F)CC1	ZINC000534638516	485550218	/nfs/dbraw/zinc/55/02/18/485550218.db2.gz	PVDDGKFCHXWQCY-UHFFFAOYSA-N	-1	1	334.313	2.437	50	0		EEAAMM
CC(C)(C)c1cc(CN2CCC[C@H](c3ccnn3CC(=O)[O-])C2)[nH]n1	ZINC000426442798	535106030	/nfs/dbraw/zinc/10/60/30/535106030.db2.gz	ZLUGSBSHRCQDMC-ZDUSSCGKSA-N	-1	1	345.447	2.368	50	0		EEAAMM
CCCCc1nc(Cl)c(CN2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)[nH]1	ZINC001772701809	1179284596	/nfs/dbraw/zinc/28/45/96/1179284596.db2.gz	PHXJZCZZCKKQQP-BZNIZROVSA-N	-1	1	341.839	2.329	50	0		EEAAMM
O=c1[nH]c(=O)n(CCc2ccccc2)c([O-])c1Cc1cccs1	ZINC000004705544	210255308	/nfs/dbraw/zinc/25/53/08/210255308.db2.gz	TUBMHDAFYHLJLS-UHFFFAOYSA-N	-1	1	328.393	2.137	50	0		EEAAMM
Cc1cc(C)c(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)c(C)c1	ZINC000101508292	219129685	/nfs/dbraw/zinc/12/96/85/219129685.db2.gz	INXVEZKLQQMGSY-UHFFFAOYSA-N	-1	1	339.399	2.223	50	0		EEAAMM
O=c1cc(CN2CCCC[C@@H]2c2cccc(F)c2)nc2[n-]cnn21	ZINC000102567289	219211670	/nfs/dbraw/zinc/21/16/70/219211670.db2.gz	ZAPSUBIRQVPXBV-OAHLLOKOSA-N	-1	1	327.363	2.284	50	0		EEAAMM
CCc1ccccc1NC(=O)CCc1c(C)nc2[n-]cnn2c1=O	ZINC000036585040	213100913	/nfs/dbraw/zinc/10/09/13/213100913.db2.gz	JEUGWYRARRUSBZ-UHFFFAOYSA-N	-1	1	325.372	2.272	50	0		EEAAMM
Cc1cc(C[C@H](C)Nc2nccc(-c3cc(C(=O)[O-])ccn3)n2)[nH]n1	ZINC000072477720	216255443	/nfs/dbraw/zinc/25/54/43/216255443.db2.gz	LZLMOJHEDNOKHU-JTQLQIEISA-N	-1	1	338.371	2.311	50	0		EEAAMM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1	ZINC000426404430	241278135	/nfs/dbraw/zinc/27/81/35/241278135.db2.gz	ZLADTONXRWUDIX-WDEREUQCSA-N	-1	1	333.363	2.252	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1cccc(Cl)c1C	ZINC000012409530	211371689	/nfs/dbraw/zinc/37/16/89/211371689.db2.gz	UQARZFCNCRMILU-UHFFFAOYSA-N	-1	1	345.790	2.259	50	0		EEAAMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1OC	ZINC000010008764	211139254	/nfs/dbraw/zinc/13/92/54/211139254.db2.gz	VLNKRQNBKDQTAE-UHFFFAOYSA-N	-1	1	334.397	2.164	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)NCCc2cccs2)n1	ZINC000009797843	211123728	/nfs/dbraw/zinc/12/37/28/211123728.db2.gz	VMPVVUHZUMWMNK-UHFFFAOYSA-N	-1	1	337.470	2.235	50	0		EEAAMM
C[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)[N-]C2CC2)o1	ZINC000032940476	258059061	/nfs/dbraw/zinc/05/90/61/258059061.db2.gz	SAABYUOBTTXGFG-NSHDSACASA-N	-1	1	346.408	2.312	50	0		EEAAMM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2	ZINC000008704377	293105521	/nfs/dbraw/zinc/10/55/21/293105521.db2.gz	WSFHNZMQFJQUQE-UHFFFAOYSA-N	-1	1	343.792	2.252	50	0		EEAAMM
CC[C@@H](Sc1nc(N)cc(=O)[n-]1)C(=O)N[C@@H](C)c1ccccc1	ZINC000000467805	462564872	/nfs/dbraw/zinc/56/48/72/462564872.db2.gz	SMMIZXBUSRAFQG-CMPLNLGQSA-N	-1	1	332.429	2.100	50	0		EEAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NC[C@H]1CCCO1	ZINC000005245534	462652412	/nfs/dbraw/zinc/65/24/12/462652412.db2.gz	MHFKCXPCGWBJKG-CYBMUJFWSA-N	-1	1	331.368	2.035	50	0		EEAAMM
CCOC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c([O-])cc1=O	ZINC000005644642	462666368	/nfs/dbraw/zinc/66/63/68/462666368.db2.gz	OBLCJDOIAFEPEL-UHFFFAOYSA-N	-1	1	329.139	2.422	50	0		EEAAMM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1	ZINC000007323159	462730388	/nfs/dbraw/zinc/73/03/88/462730388.db2.gz	SFLQLKBVEMWMJQ-UHFFFAOYSA-N	-1	1	349.364	2.045	50	0		EEAAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2cc(Cl)ccc2Cl)n1	ZINC000013597795	462896416	/nfs/dbraw/zinc/89/64/16/462896416.db2.gz	RZMOQLYSZCAJPS-UHFFFAOYSA-N	-1	1	345.211	2.390	50	0		EEAAMM
O=C(COc1ccc2c(c1)CCC2)OCC(=O)c1ccc([O-])cc1O	ZINC000018259861	463011095	/nfs/dbraw/zinc/01/10/95/463011095.db2.gz	ZDHBGVGUGRAFES-UHFFFAOYSA-N	-1	1	342.347	2.391	50	0		EEAAMM
NC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000024430901	463085065	/nfs/dbraw/zinc/08/50/65/463085065.db2.gz	LKJDEOLNFKNYJT-UHFFFAOYSA-N	-1	1	340.788	2.005	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)o1	ZINC000030566811	463303741	/nfs/dbraw/zinc/30/37/41/463303741.db2.gz	OSGNWCVAOVBRCH-CQSZACIVSA-N	-1	1	348.424	2.035	50	0		EEAAMM
COc1cc(C(=O)[O-])cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1	ZINC000670443548	485644478	/nfs/dbraw/zinc/64/44/78/485644478.db2.gz	CCHUYIHGEYLYIO-UHFFFAOYSA-N	-1	1	343.314	2.339	50	0		EEAAMM
CCn1nc(C)c([C@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)c1C	ZINC000823593484	798745776	/nfs/dbraw/zinc/74/57/76/798745776.db2.gz	YSODSKAEHGWVCM-VIFPVBQESA-N	-1	1	329.404	2.384	50	0		EEAAMM
CCOc1ccccc1NC(=O)CCc1c(C)nc2[n-]cnn2c1=O	ZINC000036576385	213100510	/nfs/dbraw/zinc/10/05/10/213100510.db2.gz	QMPUMJMUFWLXFH-UHFFFAOYSA-N	-1	1	341.371	2.108	50	0		EEAAMM
Cc1ccc(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)c(Cl)c1	ZINC000012389241	211364701	/nfs/dbraw/zinc/36/47/01/211364701.db2.gz	RJYQFWUCRTWEID-UHFFFAOYSA-N	-1	1	345.790	2.259	50	0		EEAAMM
O=C(NCCCn1ccc2ccccc21)c1cnc(C2CC2)[n-]c1=O	ZINC000091965289	218095681	/nfs/dbraw/zinc/09/56/81/218095681.db2.gz	JUAIYDJMKDMEOR-UHFFFAOYSA-N	-1	1	336.395	2.422	50	0		EEAAMM
CCN(CC)C(=S)SCC(=O)[N-]C(=O)c1ccc(OC)cc1	ZINC000010153784	211150386	/nfs/dbraw/zinc/15/03/86/211150386.db2.gz	GDJYPCVSHCAHBC-UHFFFAOYSA-N	-1	1	340.470	2.312	50	0		EEAAMM
O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)CN3CCCCC3)C2)c1	ZINC000072148286	304260434	/nfs/dbraw/zinc/26/04/34/304260434.db2.gz	SSRJIGMSSODFBB-INIZCTEOSA-N	-1	1	330.428	2.262	50	0		EEAAMM
O=C(CCC1CCN(C(=O)c2cc(F)ccc2[O-])CC1)NC1CC1	ZINC000299757474	258075752	/nfs/dbraw/zinc/07/57/52/258075752.db2.gz	KCHAHUJHBBRCAZ-UHFFFAOYSA-N	-1	1	334.391	2.442	50	0		EEAAMM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1	ZINC000000033322	462539884	/nfs/dbraw/zinc/53/98/84/462539884.db2.gz	BHQCRNXXUDLPHR-UHFFFAOYSA-N	-1	1	325.317	2.333	50	0		EEAAMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1	ZINC000002503396	462594313	/nfs/dbraw/zinc/59/43/13/462594313.db2.gz	ZEYCTIJAPNSRIO-UHFFFAOYSA-N	-1	1	347.352	2.293	50	0		EEAAMM
CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(=O)[n-]2)cc1	ZINC000004741542	210265612	/nfs/dbraw/zinc/26/56/12/210265612.db2.gz	OAXGRHDCFRXTJS-LLVKDONJSA-N	-1	1	331.397	2.400	50	0		EEAAMM
Cc1c(OCc2nn[n-]n2)ccc2c3c(c(=O)oc12)CC[C@H](C)C3	ZINC000004283219	210160936	/nfs/dbraw/zinc/16/09/36/210160936.db2.gz	XZYPMPKDHQMQGP-VIFPVBQESA-N	-1	1	326.356	2.318	50	0		EEAAMM
COc1ccc(F)cc1S(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000003855902	210081071	/nfs/dbraw/zinc/08/10/71/210081071.db2.gz	WGLNOANVNQDXHU-UHFFFAOYSA-N	-1	1	325.317	2.333	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1Cl	ZINC000067631263	215170199	/nfs/dbraw/zinc/17/01/99/215170199.db2.gz	SAGMPFYDYVYCSR-UHFFFAOYSA-N	-1	1	340.788	2.248	50	0		EEAAMM
O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-n2cnnn2)c1	ZINC000000408885	209573260	/nfs/dbraw/zinc/57/32/60/209573260.db2.gz	BPTYSJPRVBMWJZ-UHFFFAOYSA-N	-1	1	335.776	2.117	50	0		EEAAMM
Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1	ZINC000216184945	241170470	/nfs/dbraw/zinc/17/04/70/241170470.db2.gz	QAZWIDKMSREKRH-OAHLLOKOSA-N	-1	1	349.818	2.365	50	0		EEAAMM
O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2N1	ZINC000020904125	212185704	/nfs/dbraw/zinc/18/57/04/212185704.db2.gz	CJTSLZCRBATVLW-UHFFFAOYSA-N	-1	1	338.772	2.472	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1NC(=O)c1ccccc1Br	ZINC000000428289	462562708	/nfs/dbraw/zinc/56/27/08/462562708.db2.gz	FAZIOWVFQQXTLP-UHFFFAOYSA-N	-1	1	348.160	2.153	50	0		EEAAMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000002643398	462597685	/nfs/dbraw/zinc/59/76/85/462597685.db2.gz	IGPQROWQWDNBCA-UHFFFAOYSA-N	-1	1	349.364	2.393	50	0		EEAAMM
CCn1c(=S)[n-]nc1-c1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000006007256	462675120	/nfs/dbraw/zinc/67/51/20/462675120.db2.gz	HMOVMLOEUGBELM-UHFFFAOYSA-N	-1	1	338.458	2.412	50	0		EEAAMM
CC1(C)CNC(=O)c2[n-]c(-c3nc(Cc4cccs4)no3)nc2C1	ZINC000065408974	462766854	/nfs/dbraw/zinc/76/68/54/462766854.db2.gz	GDQSXVVBAASZJP-UHFFFAOYSA-N	-1	1	343.412	2.424	50	0		EEAAMM
CC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-]	ZINC000013001540	462880550	/nfs/dbraw/zinc/88/05/50/462880550.db2.gz	GMYFXDCLTMFTIB-LLVKDONJSA-N	-1	1	328.434	2.407	50	0		EEAAMM
CN1CCn2c3ccc([N-]S(=O)(=O)c4ccccc4)cc3nc2C1	ZINC000013693398	462901097	/nfs/dbraw/zinc/90/10/97/462901097.db2.gz	LGAXBKQJHUUNJA-UHFFFAOYSA-N	-1	1	342.424	2.283	50	0		EEAAMM
O=C1COc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2N1	ZINC000015952746	462966771	/nfs/dbraw/zinc/96/67/71/462966771.db2.gz	YQHJEXNHBJJNRE-UHFFFAOYSA-N	-1	1	338.772	2.472	50	0		EEAAMM
CCOC(=O)C[C@@H](c1nn[n-]n1)c1cccc(Br)c1	ZINC000096341569	463234784	/nfs/dbraw/zinc/23/47/84/463234784.db2.gz	HJCJLZLNAYHXSS-SNVBAGLBSA-N	-1	1	325.166	2.047	50	0		EEAAMM
CCc1ccc(OCCS(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1	ZINC000070637840	463377795	/nfs/dbraw/zinc/37/77/95/463377795.db2.gz	VZOJQYIGWPOCNQ-UHFFFAOYSA-N	-1	1	348.424	2.169	50	0		EEAAMM
Cc1cccc2nc(C(=O)Nc3ccc(Oc4nnn[n-]4)cc3)cn21	ZINC000828197274	800632070	/nfs/dbraw/zinc/63/20/70/800632070.db2.gz	IELIEHSACBNBJI-UHFFFAOYSA-N	-1	1	335.327	2.200	50	0		EEAAMM
Cc1cccc2nc(C(=O)Nc3ccc(Oc4nn[n-]n4)cc3)cn21	ZINC000828197274	800632074	/nfs/dbraw/zinc/63/20/74/800632074.db2.gz	IELIEHSACBNBJI-UHFFFAOYSA-N	-1	1	335.327	2.200	50	0		EEAAMM
CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cccc(NCC(=O)[O-])c1	ZINC000055327141	214307915	/nfs/dbraw/zinc/30/79/15/214307915.db2.gz	FHZHHBKESFQAQW-UHFFFAOYSA-N	-1	1	344.415	2.476	50	0		EEAAMM
Cc1noc(C)c1Cn1nc(CNc2ccc(Cl)cc2)[n-]c1=O	ZINC000040288610	213289949	/nfs/dbraw/zinc/28/99/49/213289949.db2.gz	PGYPXXQYCFKBNL-UHFFFAOYSA-N	-1	1	333.779	2.490	50	0		EEAAMM
CN1CCN(c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)CC1	ZINC000000386736	462558307	/nfs/dbraw/zinc/55/83/07/462558307.db2.gz	SFOOBBBUNQDHQD-DLBZAZTESA-N	-1	1	343.427	2.044	50	0		EEAAMM
COc1ccc(C[C@@H](C(=O)Nc2ccc(C)cc2)c2nn[n-]n2)cc1	ZINC000006556772	462690392	/nfs/dbraw/zinc/69/03/92/462690392.db2.gz	VQFQXTGNWGCRED-MRXNPFEDSA-N	-1	1	337.383	2.482	50	0		EEAAMM
CC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[n-]1	ZINC000011854859	462839264	/nfs/dbraw/zinc/83/92/64/462839264.db2.gz	SDXSCTLTVIUAHK-UHFFFAOYSA-N	-1	1	329.385	2.259	50	0		EEAAMM
COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1	ZINC000013358513	462890914	/nfs/dbraw/zinc/89/09/14/462890914.db2.gz	UVRCRWRWBXXSKV-UHFFFAOYSA-N	-1	1	337.353	2.203	50	0		EEAAMM
Cc1noc(C)c1CN(C)C(=O)c1cnc(-c2cccnc2)[n-]c1=O	ZINC000096150366	463187680	/nfs/dbraw/zinc/18/76/80/463187680.db2.gz	PPMKKGPDRWLKAN-UHFFFAOYSA-N	-1	1	339.355	2.121	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2Cl)o1	ZINC000031486833	463342020	/nfs/dbraw/zinc/34/20/20/463342020.db2.gz	YIUGKLJIODZHLP-VIFPVBQESA-N	-1	1	342.804	2.332	50	0		EEAAMM
COC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@@H]1c1ccccc1	ZINC000100821656	463375325	/nfs/dbraw/zinc/37/53/25/463375325.db2.gz	QGFZZOUAQMPGBC-GFCCVEGCSA-N	-1	1	343.408	2.496	50	0		EEAAMM
Cc1nc2[n-]c(NC(=O)CC(C)C)nn2c(=O)c1Cc1ccccc1	ZINC000101809814	463382380	/nfs/dbraw/zinc/38/23/80/463382380.db2.gz	YSEKIUZDKURAMX-UHFFFAOYSA-N	-1	1	339.399	2.301	50	0		EEAAMM
CCc1ccc(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)cc1	ZINC000020283107	212115801	/nfs/dbraw/zinc/11/58/01/212115801.db2.gz	SGFXDXZQSCTUFB-UHFFFAOYSA-N	-1	1	325.372	2.272	50	0		EEAAMM
CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(C)=O)[n-]c1=O	ZINC000012008525	211278948	/nfs/dbraw/zinc/27/89/48/211278948.db2.gz	OINVHHSNJPKCKR-UHFFFAOYSA-N	-1	1	327.344	2.045	50	0		EEAAMM
C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)[N-]C2CC2)o1	ZINC000032940475	258058888	/nfs/dbraw/zinc/05/88/88/258058888.db2.gz	SAABYUOBTTXGFG-LLVKDONJSA-N	-1	1	346.408	2.312	50	0		EEAAMM
CCn1cc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)(F)F)c(C)n1	ZINC000006265807	462681194	/nfs/dbraw/zinc/68/11/94/462681194.db2.gz	FJFYVKDBLZTDJR-UHFFFAOYSA-N	-1	1	337.327	2.063	50	0		EEAAMM
O=C(CSc1nc2c(c(=O)[n-]1)CCCC2)NCc1ccccc1	ZINC000008016843	462762470	/nfs/dbraw/zinc/76/24/70/462762470.db2.gz	UYLVGQCOUPPWAV-UHFFFAOYSA-N	-1	1	329.425	2.057	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1F	ZINC000117739566	462811152	/nfs/dbraw/zinc/81/11/52/462811152.db2.gz	NCBCCEAKFIYGGP-UHFFFAOYSA-N	-1	1	348.359	2.420	50	0		EEAAMM
COc1ccc(-c2n[n-]c(=S)n2CCCN2CCOCC2)cc1	ZINC000013686987	462899753	/nfs/dbraw/zinc/89/97/53/462899753.db2.gz	PCTBOTWTPAJZPG-UHFFFAOYSA-N	-1	1	334.445	2.339	50	0		EEAAMM
C[C@@H](c1ccon1)N(C)C(=O)c1cnc(-c2cccnc2)[n-]c1=O	ZINC000092028424	462921043	/nfs/dbraw/zinc/92/10/43/462921043.db2.gz	MUCOGKFATYSMFG-JTQLQIEISA-N	-1	1	325.328	2.065	50	0		EEAAMM
NC(=O)Cc1csc(NC(=O)c2cc3ccccc3cc2[O-])n1	ZINC000014331188	462924286	/nfs/dbraw/zinc/92/42/86/462924286.db2.gz	OBLRDYKXEVGBKS-UHFFFAOYSA-N	-1	1	327.365	2.282	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)o1	ZINC000030566814	463304184	/nfs/dbraw/zinc/30/41/84/463304184.db2.gz	OSGNWCVAOVBRCH-AWEZNQCLSA-N	-1	1	348.424	2.035	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCc3ccccc32)o1	ZINC000031634322	463348178	/nfs/dbraw/zinc/34/81/78/463348178.db2.gz	HIQUMOQGKDWBMM-ZDUSSCGKSA-N	-1	1	348.424	2.038	50	0		EEAAMM
COc1ccc2oc(C)c(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)c2c1	ZINC000124523700	463432856	/nfs/dbraw/zinc/43/28/56/463432856.db2.gz	UYKWDKLFUXMDJP-SECBINFHSA-N	-1	1	329.360	2.139	50	0		EEAAMM
COc1ccccc1OC1(C(=O)[O-])CCN(Cc2cc(C)no2)CC1	ZINC000082172109	463521819	/nfs/dbraw/zinc/52/18/19/463521819.db2.gz	DECBNYAXQDFSLW-UHFFFAOYSA-N	-1	1	346.383	2.490	50	0		EEAAMM
CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@@H+](C)Cc1ccnc(C)c1)C2	ZINC000067771179	215207909	/nfs/dbraw/zinc/20/79/09/215207909.db2.gz	DKIZBLDIHZEIOM-AWEZNQCLSA-N	-1	1	328.416	2.294	50	0		EEAAMM
CCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(C(C)=O)c2)n1	ZINC000011903394	211264372	/nfs/dbraw/zinc/26/43/72/211264372.db2.gz	HOLNZSANIZVJSY-UHFFFAOYSA-N	-1	1	331.397	2.266	50	0		EEAAMM
Cc1nc(-c2ncc(C(=O)N3CCC(F)(F)CC3)c(=O)[n-]2)cs1	ZINC000091794406	218068068	/nfs/dbraw/zinc/06/80/68/218068068.db2.gz	CHIPDDBTKVZBIN-UHFFFAOYSA-N	-1	1	340.355	2.485	50	0		EEAAMM
COc1ccc(NC(=O)CSc2nc(C)cc(=O)[n-]2)cc1Cl	ZINC000004997943	210353733	/nfs/dbraw/zinc/35/37/33/210353733.db2.gz	GLUPSZSVCIMSOX-UHFFFAOYSA-N	-1	1	339.804	2.471	50	0		EEAAMM
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1	ZINC000000428651	462562752	/nfs/dbraw/zinc/56/27/52/462562752.db2.gz	KSTURSIMNVGBDO-UHFFFAOYSA-N	-1	1	346.408	2.405	50	0		EEAAMM
O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cc3c2N1CC3	ZINC000005153520	462646743	/nfs/dbraw/zinc/64/67/43/462646743.db2.gz	DEXRXNQVUHWRFG-UHFFFAOYSA-N	-1	1	346.383	2.462	50	0		EEAAMM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1n[n-]c(=S)n1N	ZINC000005562177	462662741	/nfs/dbraw/zinc/66/27/41/462662741.db2.gz	WDWDHHALZXNALT-NSHDSACASA-N	-1	1	335.433	2.463	50	0		EEAAMM
CCCCNC(=O)CSc1nc([O-])cc(=O)n1C1CCCCC1	ZINC000013957054	462906697	/nfs/dbraw/zinc/90/66/97/462906697.db2.gz	WKGZJSUYVDDZIB-UHFFFAOYSA-N	-1	1	339.461	2.463	50	0		EEAAMM
Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)n(C)c(=O)n3C)cc1	ZINC000015780446	462963679	/nfs/dbraw/zinc/96/36/79/462963679.db2.gz	ZTGDPFCKUWXVQQ-UHFFFAOYSA-N	-1	1	345.424	2.295	50	0		EEAAMM
Nc1cc(=O)[n-]c(SCCOc2ccc(Br)cc2)n1	ZINC000016490350	462980491	/nfs/dbraw/zinc/98/04/91/462980491.db2.gz	LMNXGFKFAMVSKS-UHFFFAOYSA-N	-1	1	342.218	2.286	50	0		EEAAMM
O=C(CSc1nc2[nH]cnc2c(=O)[n-]1)Nc1ccc(F)cc1F	ZINC000033027555	463408931	/nfs/dbraw/zinc/40/89/31/463408931.db2.gz	RGVOXRGVVJQGEE-UHFFFAOYSA-N	-1	1	337.311	2.068	50	0		EEAAMM
COc1ccc(NC(=O)N2CCCCCC2)cc1[N-]S(C)(=O)=O	ZINC000266984136	464895360	/nfs/dbraw/zinc/89/53/60/464895360.db2.gz	URIFJANBMCOWIW-UHFFFAOYSA-N	-1	1	341.433	2.475	50	0		EEAAMM
O=C(Nc1ccc(Oc2nn[n-]n2)cc1)c1cc(-c2ccccn2)[nH]n1	ZINC000952969555	796101187	/nfs/dbraw/zinc/10/11/87/796101187.db2.gz	BTSVDKQLMIOKCF-UHFFFAOYSA-N	-1	1	348.326	2.029	50	0		EEAAMM
O=C([O-])C1(Oc2ccc(Cl)cc2)CCN(C(=O)c2cnc[nH]2)CC1	ZINC000065399215	802847458	/nfs/dbraw/zinc/84/74/58/802847458.db2.gz	IXXIGXJWJLUPJD-UHFFFAOYSA-N	-1	1	349.774	2.202	50	0		EEAAMM
COc1ccc(OC)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000007056437	208578946	/nfs/dbraw/zinc/57/89/46/208578946.db2.gz	GLQGNIHBOLIEGH-UHFFFAOYSA-N	-1	1	337.353	2.203	50	0		EEAAMM
O=C(c1cc(Cl)ccc1[O-])N1NC(C(F)F)=C[C@@]1(O)C(F)F	ZINC000000204490	462547990	/nfs/dbraw/zinc/54/79/90/462547990.db2.gz	MOGBHCYFXJRJJM-GFCCVEGCSA-N	-1	1	340.660	2.466	50	0		EEAAMM
O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)N1CCCCCC1	ZINC000005155049	462648123	/nfs/dbraw/zinc/64/81/23/462648123.db2.gz	RIGAOYLBPBETLP-UHFFFAOYSA-N	-1	1	335.351	2.283	50	0		EEAAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)Cc2ccccc2)n1	ZINC000007419786	462734700	/nfs/dbraw/zinc/73/47/00/462734700.db2.gz	SORXVYGMEGBRRE-UHFFFAOYSA-N	-1	1	337.383	2.008	50	0		EEAAMM
CCOc1ccccc1NC(=O)CSc1nc2c(c(=O)[n-]1)CCC2	ZINC000008587408	462789585	/nfs/dbraw/zinc/78/95/85/462789585.db2.gz	SRZJUHFCMKLETG-UHFFFAOYSA-N	-1	1	345.424	2.388	50	0		EEAAMM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1	ZINC000012630433	462861346	/nfs/dbraw/zinc/86/13/46/462861346.db2.gz	LKSWRBWLVYAYSE-UHFFFAOYSA-N	-1	1	330.409	2.336	50	0		EEAAMM
COC(=O)c1ccc([N-]S(=O)(=O)CCOc2ccccc2)cc1	ZINC000070637708	463377200	/nfs/dbraw/zinc/37/72/00/463377200.db2.gz	PLQYCLDVNGGARO-UHFFFAOYSA-N	-1	1	335.381	2.294	50	0		EEAAMM
CCC(=O)N(Cc1cccs1)c1nn2c([n-]1)nc(C)c(C)c2=O	ZINC000101860979	463382708	/nfs/dbraw/zinc/38/27/08/463382708.db2.gz	ARHFCYXFCRBKCV-UHFFFAOYSA-N	-1	1	331.401	2.039	50	0		EEAAMM
C[C@H](NC(=O)CSc1nc(N)cc(=O)[n-]1)c1cc2ccccc2o1	ZINC000032745105	463391271	/nfs/dbraw/zinc/39/12/71/463391271.db2.gz	QPVFOGYOLMBAPC-VIFPVBQESA-N	-1	1	344.396	2.068	50	0		EEAAMM
CCc1cccc2c(CC(=O)N(C)C[C@@H](C)c3nn[n-]n3)c[nH]c21	ZINC000124480500	463428636	/nfs/dbraw/zinc/42/86/36/463428636.db2.gz	RMJVXBLKPMYTQQ-LLVKDONJSA-N	-1	1	326.404	2.048	50	0		EEAAMM
CC(=O)Nc1ccc(C(=O)N(C)CCCc2c(C)n[nH]c2C)c([O-])c1	ZINC000584901051	468959722	/nfs/dbraw/zinc/95/97/22/468959722.db2.gz	BEVMZISRNBMQHP-UHFFFAOYSA-N	-1	1	344.415	2.395	50	0		EEAAMM
C[C@@H](c1n[nH]c(=O)[n-]1)n1ccnc1-c1cccc2c1OC(F)(F)O2	ZINC000071721452	1253370177	/nfs/dbraw/zinc/37/01/77/1253370177.db2.gz	JPVVQFUCGQMOER-ZETCQYMHSA-N	-1	1	335.270	2.305	50	0		EEAAMM
CC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Oc3nnn[n-]3)cc2)c1C	ZINC000952991824	796134368	/nfs/dbraw/zinc/13/43/68/796134368.db2.gz	WEQOFDPMLUJYAQ-UHFFFAOYSA-N	-1	1	340.343	2.392	50	0		EEAAMM
CC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Oc3nn[n-]n3)cc2)c1C	ZINC000952991824	796134373	/nfs/dbraw/zinc/13/43/73/796134373.db2.gz	WEQOFDPMLUJYAQ-UHFFFAOYSA-N	-1	1	340.343	2.392	50	0		EEAAMM
CN1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)C2(CCCCC2)C1	ZINC000685944950	539990947	/nfs/dbraw/zinc/99/09/47/539990947.db2.gz	KMMRMYSKUHBMJD-UHFFFAOYSA-N	-1	1	330.428	2.404	50	0		EEAAMM
Cn1cc([C@@H](NC(=O)c2cc(Cl)ccc2[O-])C2CC(O)C2)cn1	ZINC000219462307	241387490	/nfs/dbraw/zinc/38/74/90/241387490.db2.gz	ZVHIPGHUWZQUIO-CQWGXMFFSA-N	-1	1	335.791	2.021	50	0		EEAAMM
CCCCN1CNc2c(c(=O)[n-]c(=S)n2Cc2cccnc2)C1	ZINC000020567730	212148147	/nfs/dbraw/zinc/14/81/47/212148147.db2.gz	MCPIXRIIMLTDJE-UHFFFAOYSA-N	-1	1	331.445	2.334	50	0		EEAAMM
Cc1csc(CCNC(=O)c2cnc(-c3ccccc3)[n-]c2=O)n1	ZINC000091933894	218091657	/nfs/dbraw/zinc/09/16/57/218091657.db2.gz	BANRQGKETNVLPE-UHFFFAOYSA-N	-1	1	340.408	2.174	50	0		EEAAMM
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1ccc(Cl)s1)CC2	ZINC000095363932	218296703	/nfs/dbraw/zinc/29/67/03/218296703.db2.gz	JVTPDLJRFKIUKY-NSHDSACASA-N	-1	1	342.848	2.299	50	0		EEAAMM
O=S(=O)([N-]C[C@H]1COC2(CCCCC2)O1)c1cc(F)ccc1F	ZINC000004941267	210332157	/nfs/dbraw/zinc/33/21/57/210332157.db2.gz	CAPCJDGOGATGKB-LBPRGKRZSA-N	-1	1	347.383	2.319	50	0		EEAAMM
CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000035323672	285890389	/nfs/dbraw/zinc/89/03/89/285890389.db2.gz	LEZXGXIDEPLCAG-DHSIGJKJSA-N	-1	1	330.384	2.042	50	0		EEAAMM
O=C([O-])c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1O	ZINC000000271805	462552858	/nfs/dbraw/zinc/55/28/58/462552858.db2.gz	WFTUUWKAXAQJQI-UHFFFAOYSA-N	-1	1	344.348	2.439	50	0		EEAAMM
Cn1c(=O)cc([O-])nc1SCC(=O)Nc1cccc2ccccc21	ZINC000008606809	462789653	/nfs/dbraw/zinc/78/96/53/462789653.db2.gz	VUJWUAREOXMWQK-UHFFFAOYSA-N	-1	1	341.392	2.370	50	0		EEAAMM
O=C(c1ccc(F)cc1)N1C(=S)[N-]C(=O)C1=Cc1cccnc1	ZINC000101471014	463378428	/nfs/dbraw/zinc/37/84/28/463378428.db2.gz	GXUAWGAWHMLSQL-JYRVWZFOSA-N	-1	1	327.340	2.119	50	0		EEAAMM
Cc1nc2[n-]c(N(Cc3ccccc3)C(=O)C(C)C)nn2c(=O)c1C	ZINC000101860638	463383051	/nfs/dbraw/zinc/38/30/51/463383051.db2.gz	QRKPNQXBGIMOLF-UHFFFAOYSA-N	-1	1	339.399	2.224	50	0		EEAAMM
COc1cc(NC(=O)c2cccc(C)n2)ccc1[N-]S(C)(=O)=O	ZINC000032818608	463396533	/nfs/dbraw/zinc/39/65/33/463396533.db2.gz	QSJBKUNPOFFYNQ-UHFFFAOYSA-N	-1	1	335.385	2.022	50	0		EEAAMM
CC(C)(C)c1cc(CN2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)[nH]n1	ZINC000426442795	535106358	/nfs/dbraw/zinc/10/63/58/535106358.db2.gz	ZLUGSBSHRCQDMC-CYBMUJFWSA-N	-1	1	345.447	2.368	50	0		EEAAMM
C[C@@H]1CN(C(=O)c2ccc(C=C3SC(=O)[N-]C3=O)cc2)C[C@@H](C)O1	ZINC000014197963	684223309	/nfs/dbraw/zinc/22/33/09/684223309.db2.gz	SLPWKDBEDYNOAX-QOWMEECXSA-N	-1	1	346.408	2.260	50	0		EEAAMM
COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000004660795	210240338	/nfs/dbraw/zinc/24/03/38/210240338.db2.gz	DSWIWOPPAPZZPZ-UHFFFAOYSA-N	-1	1	325.317	2.333	50	0		EEAAMM
Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1nc(C)cc(=O)[n-]1	ZINC000038670863	213219474	/nfs/dbraw/zinc/21/94/74/213219474.db2.gz	RMVGLQZGBDDGDD-UHFFFAOYSA-N	-1	1	349.394	2.183	50	0		EEAAMM
O=C(Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCCC2)C1CC1	ZINC000012130166	211301949	/nfs/dbraw/zinc/30/19/49/211301949.db2.gz	BPRCKAZDRCVZHA-UHFFFAOYSA-N	-1	1	339.399	2.060	50	0		EEAAMM
Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)C2CCCC2)n1	ZINC000012122996	211300299	/nfs/dbraw/zinc/30/02/99/211300299.db2.gz	WBEOHARKSYDCEX-UHFFFAOYSA-N	-1	1	327.388	2.270	50	0		EEAAMM
O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1ccccc1	ZINC000010657288	211184734	/nfs/dbraw/zinc/18/47/34/211184734.db2.gz	AYOVCQGEKUZVSF-UHFFFAOYSA-N	-1	1	341.396	2.476	50	0		EEAAMM
COc1ccc(-c2ccc([N-]S(C)(=O)=O)nc2)c(OC)c1OC	ZINC000067605732	441656419	/nfs/dbraw/zinc/65/64/19/441656419.db2.gz	ADIALEVOFQFIRF-UHFFFAOYSA-N	-1	1	338.385	2.146	50	0		EEAAMM
COc1cccc(C[C@H](C(=O)Nc2ccccc2F)c2nn[n-]n2)c1	ZINC000000418768	462560236	/nfs/dbraw/zinc/56/02/36/462560236.db2.gz	QULFUTASZXLSID-ZDUSSCGKSA-N	-1	1	341.346	2.312	50	0		EEAAMM
O=C([O-])CCCN1CCN(Cc2sccc2Br)CC1	ZINC000116387855	462757310	/nfs/dbraw/zinc/75/73/10/462757310.db2.gz	BLUREHBCYQNMSY-UHFFFAOYSA-N	-1	1	347.278	2.493	50	0		EEAAMM
CCCc1nc2[n-]cnn2c(=O)c1NC(=O)Nc1ccc(OC)cc1	ZINC000033266131	463419754	/nfs/dbraw/zinc/41/97/54/463419754.db2.gz	ZXQJJVCNEPRLQK-UHFFFAOYSA-N	-1	1	342.359	2.435	50	0		EEAAMM
O=C(c1ncccc1[O-])N1CCC(c2nnc3n2CCCCC3)CC1	ZINC000219787663	464111098	/nfs/dbraw/zinc/11/10/98/464111098.db2.gz	IFSSQAQRTNIZRK-UHFFFAOYSA-N	-1	1	341.415	2.125	50	0		EEAAMM
O=C([O-])COc1ccccc1CN1CCC(O)(c2cccnc2)CC1	ZINC000216491903	241198137	/nfs/dbraw/zinc/19/81/37/241198137.db2.gz	WGTOWUZZKYYCCJ-UHFFFAOYSA-N	-1	1	342.395	2.029	50	0		EEAAMM
Cc1noc(C)c1CC(=O)OCc1cc(=O)oc2cc([O-])ccc12	ZINC000021493433	212227498	/nfs/dbraw/zinc/22/74/98/212227498.db2.gz	XACZSAONOTULAT-UHFFFAOYSA-N	-1	1	329.308	2.389	50	0		EEAAMM
Cc1[nH]nc(CCC(=O)N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)c1C	ZINC000091988183	218099812	/nfs/dbraw/zinc/09/98/12/218099812.db2.gz	UPWMXTZHLZOYFL-SFHVURJKSA-N	-1	1	333.432	2.453	50	0		EEAAMM
CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1ccccc1Cl)CC2	ZINC000095384981	218317395	/nfs/dbraw/zinc/31/73/95/218317395.db2.gz	ILEWTOGBPVNZTK-CYBMUJFWSA-N	-1	1	336.819	2.238	50	0		EEAAMM
Cc1ccc(Cl)cc1C(=O)N1C[C@H](CC(=O)[O-])[C@H](c2c[nH]nn2)C1	ZINC000299762785	258079551	/nfs/dbraw/zinc/07/95/51/258079551.db2.gz	XYMVOCQGEUZRCU-GXFFZTMASA-N	-1	1	348.790	2.097	50	0		EEAAMM
Cc1ccc(Cl)cc1C(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cnn[nH]2)C1	ZINC000299762785	258079553	/nfs/dbraw/zinc/07/95/53/258079553.db2.gz	XYMVOCQGEUZRCU-GXFFZTMASA-N	-1	1	348.790	2.097	50	0		EEAAMM
Cc1cc(C)c2c(n1)O[C@@](N1CCOCC1)(C(F)(F)F)C=C2[O-]	ZINC000019858619	301213484	/nfs/dbraw/zinc/21/34/84/301213484.db2.gz	FJGNHLFSXOXCBM-CQSZACIVSA-N	-1	1	330.306	2.254	50	0		EEAAMM
COc1cccc(C[C@@H](C(=O)Nc2ccccc2F)c2nn[n-]n2)c1	ZINC000000418769	462560162	/nfs/dbraw/zinc/56/01/62/462560162.db2.gz	QULFUTASZXLSID-CYBMUJFWSA-N	-1	1	341.346	2.312	50	0		EEAAMM
COc1ccc2c(ccn2CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1	ZINC000047078129	462741797	/nfs/dbraw/zinc/74/17/97/462741797.db2.gz	ZBLVNAFBIHFINL-UHFFFAOYSA-N	-1	1	339.277	2.426	50	0		EEAAMM
CC(=O)c1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)n(C)c1	ZINC000008414744	462783311	/nfs/dbraw/zinc/78/33/11/462783311.db2.gz	IBFVKWLBHAFYQW-UHFFFAOYSA-N	-1	1	341.319	2.397	50	0		EEAAMM
CCN(CC)c1nc([O-])c(CC(=O)Nc2ccc(OC)cc2)s1	ZINC000008704639	462792271	/nfs/dbraw/zinc/79/22/71/462792271.db2.gz	FEQMOSUEGFIADS-ZDUSSCGKSA-N	-1	1	335.429	2.364	50	0		EEAAMM
COc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(Cl)c1[O-]	ZINC000014119754	462911986	/nfs/dbraw/zinc/91/19/86/462911986.db2.gz	QOSIYIZOWFDFTH-UHFFFAOYSA-N	-1	1	336.775	2.289	50	0		EEAAMM
CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1	ZINC000015951981	462966825	/nfs/dbraw/zinc/96/68/25/462966825.db2.gz	POMDLWRDCJAIJF-UHFFFAOYSA-N	-1	1	332.381	2.381	50	0		EEAAMM
Cn1nccc1-c1nnc([N-]C(=O)c2ccc(Br)o2)o1	ZINC000023128123	463060663	/nfs/dbraw/zinc/06/06/63/463060663.db2.gz	IGBSYGVRRYHJPD-UHFFFAOYSA-N	-1	1	338.121	2.078	50	0		EEAAMM
O=C(CCn1ccc2ccccc21)Nc1nc([C@@H]2CCCO2)n[n-]1	ZINC000095479722	463093066	/nfs/dbraw/zinc/09/30/66/463093066.db2.gz	ASGMYRIUSFCIQB-AWEZNQCLSA-N	-1	1	325.372	2.062	50	0		EEAAMM
O=C([O-])c1c(F)cccc1NS(=O)(=O)c1c[nH]c2ncccc21	ZINC000072008176	463479086	/nfs/dbraw/zinc/47/90/86/463479086.db2.gz	JPFXXWFOPFZXPD-UHFFFAOYSA-N	-1	1	335.316	2.201	50	0		EEAAMM
CN1Cc2sc3c(c2CC1(C)C)c(=O)n(C)c1n[n-]c(=S)n31	ZINC000004480479	283256934	/nfs/dbraw/zinc/25/69/34/283256934.db2.gz	FABXMMOSXCIRML-UHFFFAOYSA-N	-1	1	335.458	2.072	50	0		EEAAMM
CN(CCC[C@@H]1CCCO1)C(=O)c1cnc(-c2ccccn2)[n-]c1=O	ZINC000091586051	218026268	/nfs/dbraw/zinc/02/62/68/218026268.db2.gz	YVSRKSCMKUBAJH-CYBMUJFWSA-N	-1	1	342.399	2.275	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)o1	ZINC000025125167	463110807	/nfs/dbraw/zinc/11/08/07/463110807.db2.gz	IJHHKOLHAGLSCR-MRXNPFEDSA-N	-1	1	348.424	2.377	50	0		EEAAMM
O=C([N-]c1nc(S(=O)(=O)Cc2ccccc2)ns1)c1ccco1	ZINC000032958462	463404649	/nfs/dbraw/zinc/40/46/49/463404649.db2.gz	WCDFZBHLZBPLJP-UHFFFAOYSA-N	-1	1	349.393	2.357	50	0		EEAAMM
C[C@H](CN(C)C(=O)c1cccc(C(F)(F)F)c1F)c1nn[n-]n1	ZINC000124691211	463452601	/nfs/dbraw/zinc/45/26/01/463452601.db2.gz	LNLLUTMGDJFWRG-SSDOTTSWSA-N	-1	1	331.273	2.233	50	0		EEAAMM
CC(=O)N1CCCN([C@H](C(=O)[O-])c2ccccc2OC(C)C)CC1	ZINC000095356315	1215347403	/nfs/dbraw/zinc/34/74/03/1215347403.db2.gz	ADLRNUDDONCEMR-KRWDZBQOSA-N	-1	1	334.416	2.154	50	0		EEAAMM
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000004660881	210239643	/nfs/dbraw/zinc/23/96/43/210239643.db2.gz	OPOIXGJGFLRHAS-UHFFFAOYSA-N	-1	1	337.353	2.203	50	0		EEAAMM
Cc1c(OCc2nn[n-]n2)ccc2c3c(c(=O)oc12)CC[C@@H](C)C3	ZINC000004283218	210160449	/nfs/dbraw/zinc/16/04/49/210160449.db2.gz	XZYPMPKDHQMQGP-SECBINFHSA-N	-1	1	326.356	2.318	50	0		EEAAMM
COc1cccc(CSc2nc(CC(=O)NC3CC3)cc(=O)[n-]2)c1	ZINC000023138143	212353382	/nfs/dbraw/zinc/35/33/82/212353382.db2.gz	XDMDZZVJBPRPIF-UHFFFAOYSA-N	-1	1	345.424	2.304	50	0		EEAAMM
COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C	ZINC000010330784	211164186	/nfs/dbraw/zinc/16/41/86/211164186.db2.gz	UZBXPLTWFMLMJA-UHFFFAOYSA-N	-1	1	348.424	2.172	50	0		EEAAMM
O=C(CSc1nccc(=O)[n-]1)Nc1ccccc1OC(F)F	ZINC000009143475	211044318	/nfs/dbraw/zinc/04/43/18/211044318.db2.gz	ZTYZYYSXCAUAPN-UHFFFAOYSA-N	-1	1	327.312	2.102	50	0		EEAAMM
CC(C)OC(=O)[C@@H]1[C@@H](c2cccc(F)c2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000004810106	210283942	/nfs/dbraw/zinc/28/39/42/210283942.db2.gz	SWJDUFLBWWEINV-DHSIGJKJSA-N	-1	1	348.374	2.261	50	0		EEAAMM
Cc1ccc2[nH]cc(CCC(=O)N(C)C[C@H](C)c3nn[n-]n3)c2c1	ZINC000124053343	222370135	/nfs/dbraw/zinc/37/01/35/222370135.db2.gz	OGKLUQBILKXUSF-LBPRGKRZSA-N	-1	1	326.404	2.184	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1Cl	ZINC000000613478	462572112	/nfs/dbraw/zinc/57/21/12/462572112.db2.gz	CTBDYWHQUOXGKV-UHFFFAOYSA-N	-1	1	340.788	2.248	50	0		EEAAMM
COc1cccc(C[C@H](C(=O)Nc2ccc(C)cc2)c2nn[n-]n2)c1	ZINC000006556767	462690718	/nfs/dbraw/zinc/69/07/18/462690718.db2.gz	SFDLDZIJZQEOMY-INIZCTEOSA-N	-1	1	337.383	2.482	50	0		EEAAMM
C/C=C\C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)cc(=O)[n-]1	ZINC000012006188	462842289	/nfs/dbraw/zinc/84/22/89/462842289.db2.gz	HYAGVTHXPYZHSM-HYXAFXHYSA-N	-1	1	325.328	2.039	50	0		EEAAMM
O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1[O-]	ZINC000012799726	462869451	/nfs/dbraw/zinc/86/94/51/462869451.db2.gz	QRDBXGXFIXKKAR-UHFFFAOYSA-N	-1	1	332.381	2.184	50	0		EEAAMM
Cc1cc(N)n(-c2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n1	ZINC000035587885	463432788	/nfs/dbraw/zinc/43/27/88/463432788.db2.gz	KWZCTBSNGRATRT-UHFFFAOYSA-N	-1	1	341.762	2.251	50	0		EEAAMM
Cc1ccc(C(=O)[N-]N2C(=O)N[C@@](C)(c3ccccc3)C2=O)s1	ZINC000025875612	212499738	/nfs/dbraw/zinc/49/97/38/212499738.db2.gz	QOHFWHGPIREKLU-INIZCTEOSA-N	-1	1	329.381	2.169	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccc(Cl)cc1	ZINC000020283341	212115553	/nfs/dbraw/zinc/11/55/53/212115553.db2.gz	ZFCBWUORAKPNQC-UHFFFAOYSA-N	-1	1	331.763	2.363	50	0		EEAAMM
COc1ccc(NC(=O)[C@H](C)Sc2nc3c(c(=O)[n-]2)CCC3)cc1	ZINC000011905476	211266182	/nfs/dbraw/zinc/26/61/82/211266182.db2.gz	QAPIZTRDSASPFZ-JTQLQIEISA-N	-1	1	345.424	2.387	50	0		EEAAMM
Nc1cc(=O)[n-]c(S[C@H](C(=O)NC2CCCC2)c2ccccc2)n1	ZINC000010861781	211193488	/nfs/dbraw/zinc/19/34/88/211193488.db2.gz	BWVCJKFLXFWOPH-HNNXBMFYSA-N	-1	1	344.440	2.244	50	0		EEAAMM
COc1ccc2nc(NC(=O)CSc3nccc(=O)[n-]3)sc2c1	ZINC000009562781	211100967	/nfs/dbraw/zinc/10/09/67/211100967.db2.gz	GIZVXXGEJMLJLE-UHFFFAOYSA-N	-1	1	348.409	2.119	50	0		EEAAMM
CC(C)N1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCCC[C@@H]32)C1=O	ZINC000008694595	462791303	/nfs/dbraw/zinc/79/13/03/462791303.db2.gz	SOQIBDKBEHXXOX-DNVCBOLYSA-N	-1	1	341.411	2.075	50	0		EEAAMM
COc1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1	ZINC000014244742	462921380	/nfs/dbraw/zinc/92/13/80/462921380.db2.gz	XQEUDYYZHGZGAU-CYBMUJFWSA-N	-1	1	333.413	2.118	50	0		EEAAMM
O=C(CSc1nccc(=O)[n-]1)Nc1cccc(Br)c1	ZINC000018172824	463007883	/nfs/dbraw/zinc/00/78/83/463007883.db2.gz	IUAYSUUNWGLDRW-UHFFFAOYSA-N	-1	1	340.202	2.263	50	0		EEAAMM
Cc1cc2cc(C(=O)N3Cc4[nH]cnc4C[C@@H]3C(=O)[O-])ccc2o1	ZINC000096136736	463184988	/nfs/dbraw/zinc/18/49/88/463184988.db2.gz	XGMKOIIYXSFYGF-CQSZACIVSA-N	-1	1	325.324	2.116	50	0		EEAAMM
Cc1cnc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)s1	ZINC000058333113	463580817	/nfs/dbraw/zinc/58/08/17/463580817.db2.gz	ZUVLBLZPMRJQIU-UHFFFAOYSA-N	-1	1	325.415	2.384	50	0		EEAAMM
Cc1ccc(-c2ccc(CCC(=O)N3CCN[C@H](C(=O)[O-])C3)o2)cc1	ZINC000071721381	1253370219	/nfs/dbraw/zinc/37/02/19/1253370219.db2.gz	HWWGXKPSNRHQIZ-INIZCTEOSA-N	-1	1	342.395	2.073	50	0		EEAAMM
O=C(Cc1cc(=O)[n-][nH]c1=O)N(C/C=C/c1ccccc1)C1CC1	ZINC001506395379	1114594806	/nfs/dbraw/zinc/59/48/06/1114594806.db2.gz	GZTYWJVAPXNSBM-QPJJXVBHSA-N	-1	1	325.368	2.135	50	0		EEAAMM
O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)N1CCOCC1	ZINC000004280175	210160492	/nfs/dbraw/zinc/16/04/92/210160492.db2.gz	ZQTYAMWCPXXMKR-LBPRGKRZSA-N	-1	1	347.198	2.107	50	0		EEAAMM
COc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@H+]3CCC[C@@H](C(=O)[O-])C3)c2c1	ZINC000020716956	212163063	/nfs/dbraw/zinc/16/30/63/212163063.db2.gz	ASXQOVJPTHXCIW-BMIGLBTASA-N	-1	1	332.356	2.099	50	0		EEAAMM
CCOC(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCCC2	ZINC000012130913	211301784	/nfs/dbraw/zinc/30/17/84/211301784.db2.gz	MATDXWNUAOXUJT-UHFFFAOYSA-N	-1	1	343.387	2.280	50	0		EEAAMM
CON(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1	ZINC000008777246	211004989	/nfs/dbraw/zinc/00/49/89/211004989.db2.gz	MJGMSIMLKWBWQG-UHFFFAOYSA-N	-1	1	334.397	2.429	50	0		EEAAMM
COc1ccc(C)cc1NC(=O)c1nc2c([n-]1)C(=O)NCC(C)(C)C2	ZINC000065371192	286293687	/nfs/dbraw/zinc/29/36/87/286293687.db2.gz	IBUPAUYSBHOOQY-UHFFFAOYSA-N	-1	1	342.399	2.291	50	0		EEAAMM
CC[C@]1(C)Cc2c(sc3c2-c2ncnn2-c2nnc([S-])n2-3)CO1	ZINC000006358201	462684240	/nfs/dbraw/zinc/68/42/40/462684240.db2.gz	CFBKGRATCBFFOX-CQSZACIVSA-N	-1	1	346.441	2.420	50	0		EEAAMM
COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1	ZINC000006510491	462688330	/nfs/dbraw/zinc/68/83/30/462688330.db2.gz	RDDNHSPIFMECBO-UHFFFAOYSA-N	-1	1	333.365	2.477	50	0		EEAAMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OC	ZINC000006706775	462699226	/nfs/dbraw/zinc/69/92/26/462699226.db2.gz	QDMYJSKVLLZTPE-UHFFFAOYSA-N	-1	1	334.397	2.246	50	0		EEAAMM
Cc1c(CC(=O)NCc2ccccc2)c(=O)oc2cc(O)cc([O-])c12	ZINC000008490566	462785468	/nfs/dbraw/zinc/78/54/68/462785468.db2.gz	HSVLRTFUMPUEAN-UHFFFAOYSA-N	-1	1	339.347	2.372	50	0	biogenic	EEAAMM
CC(=O)Nc1ccc(C(=O)N[C@@H](C)Cc2ncccc2C)c([O-])c1	ZINC000584894834	468957768	/nfs/dbraw/zinc/95/77/68/468957768.db2.gz	XSVBJXJXXWOZTP-LBPRGKRZSA-N	-1	1	327.384	2.415	50	0		EEAAMM
CC(C)[C@H](C)NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1	ZINC000101788454	219164850	/nfs/dbraw/zinc/16/48/50/219164850.db2.gz	DLILYIJLBDJHSH-NSHDSACASA-N	-1	1	339.461	2.317	50	0		EEAAMM
CC(C)[C@H](C)NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1	ZINC000101788454	219164852	/nfs/dbraw/zinc/16/48/52/219164852.db2.gz	DLILYIJLBDJHSH-NSHDSACASA-N	-1	1	339.461	2.317	50	0		EEAAMM
CO[C@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccs1	ZINC000067605268	215167027	/nfs/dbraw/zinc/16/70/27/215167027.db2.gz	AORVMUKCSFOIKN-GFCCVEGCSA-N	-1	1	329.381	2.102	50	0		EEAAMM
Cc1n[nH]c(C2CCN(Cc3nc(=O)c4sccc4[n-]3)CC2)n1	ZINC000253537299	244016332	/nfs/dbraw/zinc/01/63/32/244016332.db2.gz	KXNJWRLISDEIBM-UHFFFAOYSA-N	-1	1	330.417	2.203	50	0		EEAAMM
O=C(CCc1ccc2c(c1)CCO2)Nc1n[n-]c(C(F)(F)F)n1	ZINC000079493063	217234060	/nfs/dbraw/zinc/23/40/60/217234060.db2.gz	UBSCJCTXVUODMG-UHFFFAOYSA-N	-1	1	326.278	2.330	50	0		EEAAMM
COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000004877462	210310076	/nfs/dbraw/zinc/31/00/76/210310076.db2.gz	BUYAUOLVAJPIKP-UHFFFAOYSA-N	-1	1	337.353	2.203	50	0	biogenic	EEAAMM
COc1cccc(NCc2nn(Cc3ccc(F)cc3)c(=O)[n-]2)c1	ZINC000061721092	462597588	/nfs/dbraw/zinc/59/75/88/462597588.db2.gz	NTQYSMUERXDJFW-UHFFFAOYSA-N	-1	1	328.347	2.380	50	0		EEAAMM
O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000129408502	462705162	/nfs/dbraw/zinc/70/51/62/462705162.db2.gz	VQCDTQHMEUNIET-SNVBAGLBSA-N	-1	1	325.294	2.238	50	0		EEAAMM
CCc1cc2c([n-]c(=S)n(NC(=O)c3cccnc3)c2=O)s1	ZINC000017068342	462993747	/nfs/dbraw/zinc/99/37/47/462993747.db2.gz	AHCJIIOEZKPWCT-UHFFFAOYSA-N	-1	1	332.410	2.462	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc3c(c2)OCO3)n1	ZINC000017751727	463001445	/nfs/dbraw/zinc/00/14/45/463001445.db2.gz	LHGCTWBBXXOHCQ-UHFFFAOYSA-N	-1	1	347.396	2.182	50	0		EEAAMM
CC(C)c1cc(=O)[n-]c(SCC(=O)NCCc2ccccc2)n1	ZINC000018030006	463004217	/nfs/dbraw/zinc/00/42/17/463004217.db2.gz	DJUYLWPBNKUBOE-UHFFFAOYSA-N	-1	1	331.441	2.344	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cncn2)cc1	ZINC000028020342	463214140	/nfs/dbraw/zinc/21/41/40/463214140.db2.gz	OTPJTVDASCUBBC-UHFFFAOYSA-N	-1	1	330.369	2.077	50	0		EEAAMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000121914826	463217696	/nfs/dbraw/zinc/21/76/96/463217696.db2.gz	XUNRRJFIQDDOGF-YJYMSZOUSA-N	-1	1	347.459	2.143	50	0		EEAAMM
O=C(NCCC1CCCCC1)c1ccc(S(=O)(=O)[N-]C2CC2)o1	ZINC000030707096	463310200	/nfs/dbraw/zinc/31/02/00/463310200.db2.gz	PLEWDIODXZRFJF-UHFFFAOYSA-N	-1	1	340.445	2.421	50	0		EEAAMM
COc1ccc(NC(=O)CCc2ccco2)cc1[N-]S(C)(=O)=O	ZINC000032753671	463393119	/nfs/dbraw/zinc/39/31/19/463393119.db2.gz	NZMFOKKKYMOMBP-UHFFFAOYSA-N	-1	1	338.385	2.231	50	0		EEAAMM
O=C([O-])CCc1cc2n(n1)CCCN(CC[C@@H](O)c1ccccc1)C2	ZINC000072419466	463511138	/nfs/dbraw/zinc/51/11/38/463511138.db2.gz	CDILLRDYSYCCDC-GOSISDBHSA-N	-1	1	343.427	2.230	50	0		EEAAMM
O=C([O-])[C@@H]1Cc2nc[nH]c2CN1C(=O)c1cccc(-c2ccco2)c1	ZINC000222826787	464134277	/nfs/dbraw/zinc/13/42/77/464134277.db2.gz	QVIPHCXZHCRKCA-HNNXBMFYSA-N	-1	1	337.335	2.321	50	0		EEAAMM
Cc1[n-][nH]c(=O)c1CC(=O)N[C@H](C)c1nc(-c2ccccc2C)no1	ZINC000534635227	485548767	/nfs/dbraw/zinc/54/87/67/485548767.db2.gz	NLEDEFPWSUPWBS-LLVKDONJSA-N	-1	1	341.371	2.202	50	0		EEAAMM
CCCCc1nc(CN2CCC(C(=O)[O-])(n3cccn3)CC2)c[nH]1	ZINC000072425911	216216782	/nfs/dbraw/zinc/21/67/82/216216782.db2.gz	ANFURJMZSXCLMD-UHFFFAOYSA-N	-1	1	331.420	2.025	50	0		EEAAMM
CC1(C)C[C@@](CCNC(=O)Nc2nn[n-]n2)(c2ccccc2)CCO1	ZINC000023505966	212379455	/nfs/dbraw/zinc/37/94/55/212379455.db2.gz	FYICEMSUTPCIOP-KRWDZBQOSA-N	-1	1	344.419	2.238	50	0		EEAAMM
CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1	ZINC000020724799	212165086	/nfs/dbraw/zinc/16/50/86/212165086.db2.gz	FSMZZSWALCBQGH-MRXNPFEDSA-N	-1	1	345.399	2.376	50	0		EEAAMM
O=C([O-])c1coc(C[N@H+]2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)n1	ZINC000095370078	218302240	/nfs/dbraw/zinc/30/22/40/218302240.db2.gz	HQZHEFJGVKCWSU-CYBMUJFWSA-N	-1	1	330.340	2.451	50	0		EEAAMM
CCOc1ccc([C@@H]2CC(=O)Nc3nc(SC)[n-]c(=O)c32)cc1	ZINC000004944376	210334398	/nfs/dbraw/zinc/33/43/98/210334398.db2.gz	DQZFMFQOTZLYRQ-NSHDSACASA-N	-1	1	331.397	2.365	50	0		EEAAMM
CC(C)(C)N1C[C@@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)CC1=O	ZINC000299785243	258092571	/nfs/dbraw/zinc/09/25/71/258092571.db2.gz	YHJXVWZRFPHKFK-GFCCVEGCSA-N	-1	1	338.835	2.351	50	0		EEAAMM
CC(C)(C)N1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C1=O	ZINC000009012927	278340326	/nfs/dbraw/zinc/34/03/26/278340326.db2.gz	PHXZBGRTUVTVDN-AUUYWEPGSA-N	-1	1	341.411	2.075	50	0		EEAAMM
Cn1ccnc1SCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1	ZINC000006369822	462684454	/nfs/dbraw/zinc/68/44/54/462684454.db2.gz	BWXQZXHLLQJQJE-UHFFFAOYSA-N	-1	1	341.339	2.070	50	0		EEAAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2cccc(F)c2)n1	ZINC000007419515	462735361	/nfs/dbraw/zinc/73/53/61/462735361.db2.gz	HZQSHAHQTLLZFD-UHFFFAOYSA-N	-1	1	341.346	2.218	50	0		EEAAMM
COc1ccccc1NC(=O)CSc1nc2c(c(=O)[n-]1)CCCC2	ZINC000008016898	462762405	/nfs/dbraw/zinc/76/24/05/462762405.db2.gz	ALMJKPHFLFIBQV-UHFFFAOYSA-N	-1	1	345.424	2.388	50	0		EEAAMM
CSc1nc(C)c(CCC(=O)NCc2ccc(F)cc2)c(=O)[n-]1	ZINC000012789546	462868792	/nfs/dbraw/zinc/86/87/92/462868792.db2.gz	UPTHDTALMZIPKI-UHFFFAOYSA-N	-1	1	335.404	2.188	50	0		EEAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)c1	ZINC000014728865	462930998	/nfs/dbraw/zinc/93/09/98/462930998.db2.gz	BJEJLXIMWWWWHL-UHFFFAOYSA-N	-1	1	343.412	2.295	50	0		EEAAMM
CC(C)(CNC(=O)c1ccc2ccccc2c1[O-])N1CCOCC1	ZINC000016685014	462987499	/nfs/dbraw/zinc/98/74/99/462987499.db2.gz	HMJDHCLKHPGJRX-UHFFFAOYSA-N	-1	1	328.412	2.386	50	0		EEAAMM
COc1ccc(Cl)cc1NC(=O)CSc1nc(C)cc(=O)[n-]1	ZINC000018125862	463006277	/nfs/dbraw/zinc/00/62/77/463006277.db2.gz	TZNHSUVNAXGVJL-UHFFFAOYSA-N	-1	1	339.804	2.471	50	0		EEAAMM
C[C@H](C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)N1CCCCCC1	ZINC000126129622	463608429	/nfs/dbraw/zinc/60/84/29/463608429.db2.gz	ROMCYGBYSGZVMT-LLVKDONJSA-N	-1	1	344.399	2.039	50	0		EEAAMM
CCOc1ccccc1NC(=O)C1=NS(=O)(=O)c2ccccc2[N-]1	ZINC000033265397	539331937	/nfs/dbraw/zinc/33/19/37/539331937.db2.gz	LMJNMDWJOMOJEO-UHFFFAOYSA-N	-1	1	345.380	2.237	50	0		EEAAMM
CO[C@@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccs1	ZINC000067605266	215168218	/nfs/dbraw/zinc/16/82/18/215168218.db2.gz	AORVMUKCSFOIKN-LBPRGKRZSA-N	-1	1	329.381	2.102	50	0		EEAAMM
COc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@H+]3CCC[C@H](C(=O)[O-])C3)c2c1	ZINC000035102896	213008041	/nfs/dbraw/zinc/00/80/41/213008041.db2.gz	ASXQOVJPTHXCIW-BONVTDFDSA-N	-1	1	332.356	2.099	50	0		EEAAMM
O=C(c1cc(Cl)ccc1[O-])N1NC(C(F)F)=C[C@]1(O)C(F)F	ZINC000000204488	462547756	/nfs/dbraw/zinc/54/77/56/462547756.db2.gz	MOGBHCYFXJRJJM-LBPRGKRZSA-N	-1	1	340.660	2.466	50	0		EEAAMM
CC[C@H](Sc1nc(N)cc(=O)[n-]1)C(=O)N[C@@H](C)c1ccccc1	ZINC000000467804	462564527	/nfs/dbraw/zinc/56/45/27/462564527.db2.gz	SMMIZXBUSRAFQG-JQWIXIFHSA-N	-1	1	332.429	2.100	50	0		EEAAMM
CC(=O)Nc1ccc(C(=O)c2ccc(N(C)C)cc2O)c(C(=O)[O-])c1	ZINC000002387109	462592168	/nfs/dbraw/zinc/59/21/68/462592168.db2.gz	RLVHXZUZNQEOCM-UHFFFAOYSA-N	-1	1	342.351	2.346	50	0	in-vitro	EEAAMM
CCc1nc(SCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n[nH]1	ZINC000006821692	462707085	/nfs/dbraw/zinc/70/70/85/462707085.db2.gz	AJCULLLWARDXLA-UHFFFAOYSA-N	-1	1	340.792	2.450	50	0		EEAAMM
CCc1n[nH]c(SCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC000006821692	462707094	/nfs/dbraw/zinc/70/70/94/462707094.db2.gz	AJCULLLWARDXLA-UHFFFAOYSA-N	-1	1	340.792	2.450	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2nc3ccccc3s2)n1	ZINC000018180929	463008623	/nfs/dbraw/zinc/00/86/23/463008623.db2.gz	SONPGCBJSSTKON-UHFFFAOYSA-N	-1	1	332.410	2.419	50	0		EEAAMM
O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc3c[nH]nc32)cc1	ZINC000024425433	463084775	/nfs/dbraw/zinc/08/47/75/463084775.db2.gz	TVTVRCKNEJAQQR-UHFFFAOYSA-N	-1	1	345.380	2.381	50	0		EEAAMM
CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000035335125	202299606	/nfs/dbraw/zinc/29/96/06/202299606.db2.gz	QKWZAIUGPDSSJR-UHFFFAOYSA-N	-1	1	349.364	2.362	50	0		EEAAMM
O=C([O-])CCCN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000116355665	204529163	/nfs/dbraw/zinc/52/91/63/204529163.db2.gz	PXIZRCWYJNWVHO-UHFFFAOYSA-N	-1	1	344.333	2.328	50	0		EEAAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc(F)cc2)n1	ZINC000007419520	462734814	/nfs/dbraw/zinc/73/48/14/462734814.db2.gz	WJCDKIMMFKITPR-UHFFFAOYSA-N	-1	1	341.346	2.218	50	0		EEAAMM
O=C(Nc1cc(=O)nc2[n-]cnn21)C(c1ccccc1)c1ccccc1	ZINC000009332620	462800867	/nfs/dbraw/zinc/80/08/67/462800867.db2.gz	OYULHWKHSSFVOT-UHFFFAOYSA-N	-1	1	345.362	2.188	50	0		EEAAMM
Cc1nnsc1CN(C)C(=O)c1cnc(-c2cccs2)[n-]c1=O	ZINC000091535421	462885904	/nfs/dbraw/zinc/88/59/04/462885904.db2.gz	NPDNJGZTCWXLQI-UHFFFAOYSA-N	-1	1	347.425	2.343	50	0		EEAAMM
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1	ZINC000016124711	462970711	/nfs/dbraw/zinc/97/07/11/462970711.db2.gz	BYCKAGANXUZCLB-UHFFFAOYSA-N	-1	1	328.752	2.379	50	0		EEAAMM
O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1nnn[n-]1	ZINC000096230790	463223111	/nfs/dbraw/zinc/22/31/11/463223111.db2.gz	OGIMWLNFPJSZNI-GFCCVEGCSA-N	-1	1	330.779	2.467	50	0		EEAAMM
O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1nn[n-]n1	ZINC000096230790	463223116	/nfs/dbraw/zinc/22/31/16/463223116.db2.gz	OGIMWLNFPJSZNI-GFCCVEGCSA-N	-1	1	330.779	2.467	50	0		EEAAMM
COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000032824853	463397368	/nfs/dbraw/zinc/39/73/68/463397368.db2.gz	FWYJEQVJEHDJFG-UHFFFAOYSA-N	-1	1	335.381	2.348	50	0		EEAAMM
Cc1cccc(NC(=S)c2c(N)nc(N3CCCC3)[n-]c2=O)c1	ZINC000040385661	463454821	/nfs/dbraw/zinc/45/48/21/463454821.db2.gz	BDUKXAYJIFDINJ-UHFFFAOYSA-N	-1	1	329.429	2.048	50	0		EEAAMM
COC(=O)C[C@@H](c1ccco1)c1c([O-])nc2ccc(Cl)cn2c1=O	ZINC000206054600	291113057	/nfs/dbraw/zinc/11/30/57/291113057.db2.gz	ZGNYXDRBXAMXRK-JTQLQIEISA-N	-1	1	348.742	2.342	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cc2Cl)o1	ZINC000031551311	202207245	/nfs/dbraw/zinc/20/72/45/202207245.db2.gz	PVIROBQQEDMTDA-UHFFFAOYSA-N	-1	1	328.777	2.402	50	0		EEAAMM
COc1ccc(-c2nnc([N-]C(=O)c3cc(C)on3)o2)cc1OC	ZINC000009204950	201480892	/nfs/dbraw/zinc/48/08/92/201480892.db2.gz	JHDXBIDZEBHDCK-UHFFFAOYSA-N	-1	1	330.300	2.303	50	0		EEAAMM
Cc1[n-][nH]c(=O)c1CC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1	ZINC000244595060	243042686	/nfs/dbraw/zinc/04/26/86/243042686.db2.gz	DNXRTOMAOIODEQ-CYBMUJFWSA-N	-1	1	347.390	2.011	50	0		EEAAMM
CN(Cc1cccc2ncccc12)C(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000072430048	203222914	/nfs/dbraw/zinc/22/29/14/203222914.db2.gz	AVERQLQUFVICCG-UHFFFAOYSA-N	-1	1	334.379	2.468	50	0		EEAAMM
Cc1cc(C)c(NC(=O)CSc2nc(N)cc(=O)[n-]2)c(Cl)c1	ZINC000011535515	211221667	/nfs/dbraw/zinc/22/16/67/211221667.db2.gz	VMKXMADUNCFWEA-UHFFFAOYSA-N	-1	1	338.820	2.353	50	0		EEAAMM
C[C@@]1(O)CCN(C(=O)c2ncccc2[O-])C[C@@H]1Cc1ccccc1	ZINC000072151955	297925135	/nfs/dbraw/zinc/92/51/35/297925135.db2.gz	BHAWSLUGZYEPEO-HNAYVOBHSA-N	-1	1	326.396	2.243	50	0		EEAAMM
CCOC(=O)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1	ZINC000002881167	462606845	/nfs/dbraw/zinc/60/68/45/462606845.db2.gz	IQCSJSLJGZEWCV-UHFFFAOYSA-N	-1	1	328.368	2.460	50	0		EEAAMM
Cc1cc(C)n2c(nnc2SCC(=O)c2ccc([O-])cc2O)n1	ZINC000003301385	462616421	/nfs/dbraw/zinc/61/64/21/462616421.db2.gz	AHDDLEZEQWYIKG-UHFFFAOYSA-N	-1	1	330.369	2.127	50	0		EEAAMM
COc1cccc(C[C@H](C(=O)Nc2ccc(F)cc2)c2nn[n-]n2)c1	ZINC000004169498	462629606	/nfs/dbraw/zinc/62/96/06/462629606.db2.gz	ZXLIKULBOMFUQM-HNNXBMFYSA-N	-1	1	341.346	2.312	50	0		EEAAMM
Cn1c(=O)c2ccsc2nc1SCC(=O)c1ccc([O-])cc1O	ZINC000007982793	462760912	/nfs/dbraw/zinc/76/09/12/462760912.db2.gz	WGSUPFFNJMJBRJ-UHFFFAOYSA-N	-1	1	348.405	2.381	50	0		EEAAMM
NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1	ZINC000009367505	462802533	/nfs/dbraw/zinc/80/25/33/462802533.db2.gz	RLQUDJDEDSBGRD-UHFFFAOYSA-N	-1	1	330.409	2.465	50	0		EEAAMM
CN(C)c1cccc(CNC(=O)c2cnc(-c3ccccn3)[n-]c2=O)c1	ZINC000091410020	462877835	/nfs/dbraw/zinc/87/78/35/462877835.db2.gz	IJPASCAJAWFCQH-UHFFFAOYSA-N	-1	1	349.394	2.240	50	0		EEAAMM
CC(C)=CCN1CC2(CC1=O)CCN(C(=O)c1ncccc1[O-])CC2	ZINC000091656905	462896344	/nfs/dbraw/zinc/89/63/44/462896344.db2.gz	XLJFQRDVPZCBDB-UHFFFAOYSA-N	-1	1	343.427	2.208	50	0		EEAAMM
Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000015881322	462965985	/nfs/dbraw/zinc/96/59/85/462965985.db2.gz	PFKDFQVBWZKVHO-UHFFFAOYSA-N	-1	1	327.319	2.376	50	0		EEAAMM
COc1cccc(C(=O)Nn2c(=O)c3ccccc3[n-]c2=S)c1	ZINC000100849772	463375340	/nfs/dbraw/zinc/37/53/40/463375340.db2.gz	IBXVWEKRUJJWFF-UHFFFAOYSA-N	-1	1	327.365	2.452	50	0		EEAAMM
Cn1c([O-])c(C2=NN[C@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=S	ZINC000101495060	463378728	/nfs/dbraw/zinc/37/87/28/463378728.db2.gz	WTMBSDUKEKTDGQ-VIFPVBQESA-N	-1	1	336.804	2.241	50	0		EEAAMM
CN(C)[C@H](CNC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)c1cccc(Cl)c1	ZINC000106810271	463539630	/nfs/dbraw/zinc/53/96/30/463539630.db2.gz	JUFLYIZPSNNLCS-HZSPNIEDSA-N	-1	1	338.835	2.416	50	0		EEAAMM
C[C@H]1CCc2n[nH]c(C(=O)NCCOc3cccc(C(=O)[O-])c3)c2C1	ZINC000252485100	464961928	/nfs/dbraw/zinc/96/19/28/464961928.db2.gz	GNLXPMWBOSHMFL-NSHDSACASA-N	-1	1	343.383	2.042	50	0		EEAAMM
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c(O)cc(C)oc1=O	ZINC000218005740	536313468	/nfs/dbraw/zinc/31/34/68/536313468.db2.gz	VWFSUIYOGQIHJB-LBPRGKRZSA-N	-1	1	332.308	2.047	50	0	biogenic	EEAAMM
CO[C@@H](C)c1nnc([N-]C(=O)c2cn(-c3ccccc3)nn2)s1	ZINC001529161766	1121347979	/nfs/dbraw/zinc/34/79/79/1121347979.db2.gz	OXSZLAXBDUAZQP-VIFPVBQESA-N	-1	1	330.373	2.079	50	0		EEAAMM
O=C([O-])CCC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc2[nH]ccc21	ZINC000019701940	304044691	/nfs/dbraw/zinc/04/46/91/304044691.db2.gz	CKBVXYJEFWFZOL-SFHVURJKSA-N	-1	1	338.367	2.230	50	0	biogenic	EEAAMM
COc1ccc(NC(=O)c2cccc(C)n2)cc1[N-]S(C)(=O)=O	ZINC000029924779	202192913	/nfs/dbraw/zinc/19/29/13/202192913.db2.gz	OCIDMHAOZUNPER-UHFFFAOYSA-N	-1	1	335.385	2.022	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1F	ZINC000032591109	202227162	/nfs/dbraw/zinc/22/71/62/202227162.db2.gz	XLYYULWRFLKPJD-UHFFFAOYSA-N	-1	1	338.316	2.070	50	0		EEAAMM
C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C2CC2)o1)c1ccccc1	ZINC000032633529	202228941	/nfs/dbraw/zinc/22/89/41/202228941.db2.gz	FDZGPODTIAURRQ-LLVKDONJSA-N	-1	1	334.397	2.211	50	0		EEAAMM
Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000000310327	201357500	/nfs/dbraw/zinc/35/75/00/201357500.db2.gz	HGDLUJHOYAUPPW-UHFFFAOYSA-N	-1	1	332.360	2.422	50	0		EEAAMM
Cc1ncc(CN2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)n1C	ZINC000072438293	203224981	/nfs/dbraw/zinc/22/49/81/203224981.db2.gz	ABQZQTKVAJDTRE-UHFFFAOYSA-N	-1	1	347.390	2.366	50	0		EEAAMM
Cc1cc([O-])c(C(c2ccncc2)c2c(O)cc(C)oc2=O)c(=O)o1	ZINC000006266051	205805334	/nfs/dbraw/zinc/80/53/34/205805334.db2.gz	QSGARKOPVPYKEE-UHFFFAOYSA-N	-1	1	341.319	2.196	50	0		EEAAMM
CCOC(=O)[C@H]1[C@H](c2ccc(C)cc2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000035323669	285946638	/nfs/dbraw/zinc/94/66/38/285946638.db2.gz	LEZXGXIDEPLCAG-DDUZABMNSA-N	-1	1	330.384	2.042	50	0		EEAAMM
COCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000002694502	462599647	/nfs/dbraw/zinc/59/96/47/462599647.db2.gz	VGYMVNBXBQDVNP-UHFFFAOYSA-N	-1	1	348.424	2.172	50	0		EEAAMM
O=C([O-])[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)N1CCOCC1	ZINC000004280192	462630431	/nfs/dbraw/zinc/63/04/31/462630431.db2.gz	VSBFLSMLPGGPQJ-GFCCVEGCSA-N	-1	1	347.198	2.107	50	0		EEAAMM
O=C([O-])c1cccnc1CN1CCC(O)(c2ccc(F)cc2)CC1	ZINC000065375049	462759494	/nfs/dbraw/zinc/75/94/94/462759494.db2.gz	XOGLIVWAKRWZOE-UHFFFAOYSA-N	-1	1	330.359	2.403	50	0		EEAAMM
Cc1ccn2c(c1)nc([O-])c(C(=O)NCc1ccccc1Cl)c2=O	ZINC000008604403	462789068	/nfs/dbraw/zinc/78/90/68/462789068.db2.gz	PSEHMPSDLRITIZ-UHFFFAOYSA-N	-1	1	343.770	2.292	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)c2ccc3c(c2)OCCO3)n1	ZINC000008693824	462790729	/nfs/dbraw/zinc/79/07/29/462790729.db2.gz	ITSDHKZMKOMCSY-UHFFFAOYSA-N	-1	1	346.408	2.469	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1	ZINC000010515286	462820600	/nfs/dbraw/zinc/82/06/00/462820600.db2.gz	WTBIKWHUYUAEBW-UHFFFAOYSA-N	-1	1	334.397	2.198	50	0		EEAAMM
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCC(=O)c1ccc([O-])cc1O	ZINC000010949777	462826160	/nfs/dbraw/zinc/82/61/60/462826160.db2.gz	BFUIWGGYFGBVKC-DYZYQPBXSA-N	-1	1	344.319	2.052	50	0		EEAAMM
CONC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1	ZINC000012631290	462861192	/nfs/dbraw/zinc/86/11/92/462861192.db2.gz	ZBZMKAWXFSQYMP-UHFFFAOYSA-N	-1	1	334.397	2.395	50	0		EEAAMM
Cc1cnc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1	ZINC000022702169	202090074	/nfs/dbraw/zinc/09/00/74/202090074.db2.gz	TYFQVRYKNROFFP-UHFFFAOYSA-N	-1	1	325.368	2.226	50	0		EEAAMM
COc1ccc(CNC(=O)c2n[nH]c3ccccc32)cc1C(=O)[O-]	ZINC000025063280	202126327	/nfs/dbraw/zinc/12/63/27/202126327.db2.gz	FEFNAHLBFRVIRC-UHFFFAOYSA-N	-1	1	325.324	2.200	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)N2CCCC[C@H]2c2ccccn2)n1	ZINC000215474732	241129161	/nfs/dbraw/zinc/12/91/61/241129161.db2.gz	GOEDYYRQGYTUGP-AWEZNQCLSA-N	-1	1	344.440	2.319	50	0		EEAAMM
CN(C(=O)c1cc2ccccc2cc1[O-])C1CCS(=O)(=O)CC1	ZINC000299776288	258086450	/nfs/dbraw/zinc/08/64/50/258086450.db2.gz	MXYTVRSOUHKKHL-UHFFFAOYSA-N	-1	1	333.409	2.195	50	0		EEAAMM
O=C(NC1CCN(C(=O)C2CCCC2)CC1)c1cc(F)ccc1[O-]	ZINC000299778948	258088356	/nfs/dbraw/zinc/08/83/56/258088356.db2.gz	RRCPDPWUWLXPFK-UHFFFAOYSA-N	-1	1	334.391	2.442	50	0		EEAAMM
Cc1[n-][nH]c(=O)c1CC(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1	ZINC000299759455	258076986	/nfs/dbraw/zinc/07/69/86/258076986.db2.gz	RYMREAUIIDXGNA-BBRMVZONSA-N	-1	1	331.391	2.221	50	0		EEAAMM
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1c(C)[n-][nH]c1=O	ZINC000426624734	295265963	/nfs/dbraw/zinc/26/59/63/295265963.db2.gz	GKWZMXZPTMRXIZ-AWEZNQCLSA-N	-1	1	345.399	2.393	50	0		EEAAMM
COc1ccc(-c2noc(CSc3nc(C)cc(=O)[n-]3)n2)cc1	ZINC000009927237	462809232	/nfs/dbraw/zinc/80/92/32/462809232.db2.gz	AJXKFRWQJXIQEL-UHFFFAOYSA-N	-1	1	330.369	2.429	50	0		EEAAMM
Cc1nc(-c2ncc(C(=O)N(C)[C@@H](C)c3ccon3)c(=O)[n-]2)cs1	ZINC000091416932	462878042	/nfs/dbraw/zinc/87/80/42/462878042.db2.gz	NGTVLZKQTITDPG-QMMMGPOBSA-N	-1	1	345.384	2.435	50	0		EEAAMM
O=C([N-][C@@H]1CN(CCCO)CC[C@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000110710614	463663004	/nfs/dbraw/zinc/66/30/04/463663004.db2.gz	PKMCUJUNGFRVHB-UONOGXRCSA-N	-1	1	348.340	2.045	50	0		EEAAMM
Cc1cc(C)n(CCCC(=O)Nc2ccc(Oc3nnn[n-]3)cc2)n1	ZINC000828054142	800581163	/nfs/dbraw/zinc/58/11/63/800581163.db2.gz	AEAXXUUSDNYESK-UHFFFAOYSA-N	-1	1	341.375	2.224	50	0		EEAAMM
Cc1cc(C)n(CCCC(=O)Nc2ccc(Oc3nn[n-]n3)cc2)n1	ZINC000828054142	800581170	/nfs/dbraw/zinc/58/11/70/800581170.db2.gz	AEAXXUUSDNYESK-UHFFFAOYSA-N	-1	1	341.375	2.224	50	0		EEAAMM
CO[C@@H](C)c1nnc([N-]C(=O)c2cc(C(C)C)n3ncnc3n2)s1	ZINC001529168602	1121350897	/nfs/dbraw/zinc/35/08/97/1121350897.db2.gz	HECXHYZOXCTBOC-QMMMGPOBSA-N	-1	1	347.404	2.059	50	0		EEAAMM
Cc1ncsc1[C@@H]1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21	ZINC000585655781	539980522	/nfs/dbraw/zinc/98/05/22/539980522.db2.gz	JPEXHRYSXBBIKK-SNVBAGLBSA-N	-1	1	345.428	2.412	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1cccc(Cl)c1	ZINC000036579895	202326407	/nfs/dbraw/zinc/32/64/07/202326407.db2.gz	QMLTZZVXYFWCNU-UHFFFAOYSA-N	-1	1	331.763	2.363	50	0		EEAAMM
CC(C)(C)c1cc(CN2CCCn3nc(CCC(=O)[O-])cc3C2)n[nH]1	ZINC000072481442	203232781	/nfs/dbraw/zinc/23/27/81/203232781.db2.gz	UUWKVCHFAKRGMY-UHFFFAOYSA-N	-1	1	345.447	2.327	50	0		EEAAMM
O=C([O-])C1(Oc2ccc3c(c2)CCC3)CCN(Cc2cnc[nH]2)CC1	ZINC000072417756	203219149	/nfs/dbraw/zinc/21/91/49/203219149.db2.gz	DHTJDYPCGJPGFK-UHFFFAOYSA-N	-1	1	341.411	2.397	50	0		EEAAMM
Cc1nc(-c2ncc(C(=O)N(C)[C@H](C)c3ccon3)c(=O)[n-]2)cs1	ZINC000091416933	203634333	/nfs/dbraw/zinc/63/43/33/203634333.db2.gz	NGTVLZKQTITDPG-MRVPVSSYSA-N	-1	1	345.384	2.435	50	0		EEAAMM
O=[P@]([O-])(O)[C@H](NCc1ccccc1)c1ccc2c(c1)OCCO2	ZINC000012997505	207263583	/nfs/dbraw/zinc/26/35/83/207263583.db2.gz	HQMJHZUOFAHJLE-INIZCTEOSA-N	-1	1	335.296	2.424	50	0		EEAAMM
Cc1[nH]nc2c1[C@H](c1ccccc1O)c1c(=O)[n-]c(=S)[nH]c1N2	ZINC000079496019	293128465	/nfs/dbraw/zinc/12/84/65/293128465.db2.gz	ZTILWZNSMJGWMK-JTQLQIEISA-N	-1	1	327.369	2.407	50	0		EEAAMM
CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccccc2)n1	ZINC000007420182	462734984	/nfs/dbraw/zinc/73/49/84/462734984.db2.gz	AUSYBORSMHREPQ-UHFFFAOYSA-N	-1	1	337.383	2.469	50	0		EEAAMM
CONC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C	ZINC000012734656	462865020	/nfs/dbraw/zinc/86/50/20/462865020.db2.gz	NKXQDJAHUALWLY-UHFFFAOYSA-N	-1	1	334.397	2.395	50	0		EEAAMM
CCS(=O)(=O)N1CCC[C@@H](c2n[n-]c(=S)n2CC(C)C)C1	ZINC000013322707	462890879	/nfs/dbraw/zinc/89/08/79/462890879.db2.gz	UGYJWNDEEOHINJ-LLVKDONJSA-N	-1	1	332.495	2.126	50	0		EEAAMM
O=C(c1cnc(-c2cccnc2)[n-]c1=O)N1CC[C@@H]1c1ccccc1	ZINC000091620896	462893323	/nfs/dbraw/zinc/89/33/23/462893323.db2.gz	JLAYGZFMMWBWRZ-MRXNPFEDSA-N	-1	1	332.363	2.419	50	0		EEAAMM
O=C([O-])c1n[nH]cc1C[N@H+]1CCC[C@H](c2cccc(C(=O)[O-])c2)C1	ZINC000095380134	463071939	/nfs/dbraw/zinc/07/19/39/463071939.db2.gz	LFPNPGPMISDMNU-ZDUSSCGKSA-N	-1	1	329.356	2.186	50	0		EEAAMM
O=S(=O)(c1ccc(N2CCCC2)cc1)c1c[nH]c(=S)nc1[O-]	ZINC000057509349	463497870	/nfs/dbraw/zinc/49/78/70/463497870.db2.gz	MUGPLKIMAIKVSO-UHFFFAOYSA-N	-1	1	337.426	2.278	50	0		EEAAMM
O=c1[n-]c(=S)[nH]cc1S(=O)(=O)c1ccc(N2CCCC2)cc1	ZINC000057509349	463497874	/nfs/dbraw/zinc/49/78/74/463497874.db2.gz	MUGPLKIMAIKVSO-UHFFFAOYSA-N	-1	1	337.426	2.278	50	0		EEAAMM
O=C1C[C@@H](c2cccnc2)c2c(=O)[n-]c(N3CCCCC3)nc2N1	ZINC000670416195	471719865	/nfs/dbraw/zinc/71/98/65/471719865.db2.gz	XOIUSTZRGYBHBJ-LBPRGKRZSA-N	-1	1	325.372	2.042	50	0		EEAAMM
CCOC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1	ZINC000020724802	202053917	/nfs/dbraw/zinc/05/39/17/202053917.db2.gz	FSMZZSWALCBQGH-INIZCTEOSA-N	-1	1	345.399	2.376	50	0		EEAAMM
O=C(CSc1nc2[nH]cnc2c(=O)[n-]1)NCc1ccccc1Cl	ZINC000033027496	202247486	/nfs/dbraw/zinc/24/74/86/202247486.db2.gz	MLZZCZWDTOJMSN-UHFFFAOYSA-N	-1	1	349.803	2.120	50	0		EEAAMM
CC(C)[C@@H](C)NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1	ZINC000101788451	204023456	/nfs/dbraw/zinc/02/34/56/204023456.db2.gz	DLILYIJLBDJHSH-LLVKDONJSA-N	-1	1	339.461	2.317	50	0		EEAAMM
CC(C)[C@@H](C)NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1	ZINC000101788451	204023460	/nfs/dbraw/zinc/02/34/60/204023460.db2.gz	DLILYIJLBDJHSH-LLVKDONJSA-N	-1	1	339.461	2.317	50	0		EEAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1	ZINC000012199833	207068474	/nfs/dbraw/zinc/06/84/74/207068474.db2.gz	UJDAVPQAZQTFIA-UHFFFAOYSA-N	-1	1	344.392	2.449	50	0		EEAAMM
COc1cc(/C=C2/NC(=S)[N-]C2=O)cc(Cl)c1OC(C)C	ZINC000000359275	462555661	/nfs/dbraw/zinc/55/56/61/462555661.db2.gz	UTNDVMSLAGEKCW-BJMVGYQFSA-N	-1	1	326.805	2.481	50	0		EEAAMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000000382689	462558189	/nfs/dbraw/zinc/55/81/89/462558189.db2.gz	DPROTBKANNVTMC-UHFFFAOYSA-N	-1	1	348.380	2.217	50	0		EEAAMM
CC(=NN=C1NC(=O)C(CC(=O)[O-])S1)c1ccc(Cl)cc1	ZINC000004380662	462631353	/nfs/dbraw/zinc/63/13/53/462631353.db2.gz	VYKAUZXSJNDTEF-JTQLQIEISA-N	-1	1	325.777	2.126	50	0		EEAAMM
O=C(CSc1nc2c(c(=O)[n-]1)CCC2)Nc1ccc(F)cc1F	ZINC000004953344	462642955	/nfs/dbraw/zinc/64/29/55/462642955.db2.gz	OJMHLWQMSDKCNH-UHFFFAOYSA-N	-1	1	337.351	2.268	50	0		EEAAMM
O=C(NC1Cc2ccccc2C1)c1cnc(-c2cccnc2)[n-]c1=O	ZINC000091468512	462882637	/nfs/dbraw/zinc/88/26/37/462882637.db2.gz	BVODFMVSNMAJBM-UHFFFAOYSA-N	-1	1	332.363	2.141	50	0		EEAAMM
Cc1ccc2nc(NC(=O)CSc3nc(N)cc(=O)[n-]3)sc2c1	ZINC000015379384	462950535	/nfs/dbraw/zinc/95/05/35/462950535.db2.gz	YLYWLQDFJDEAHS-UHFFFAOYSA-N	-1	1	347.425	2.001	50	0		EEAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2)cc1	ZINC000018276941	463011129	/nfs/dbraw/zinc/01/11/29/463011129.db2.gz	NPKIKYIVXKPPPD-UHFFFAOYSA-N	-1	1	333.413	2.027	50	0		EEAAMM
COc1cccc2c1ccn2CC(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000095479255	463093257	/nfs/dbraw/zinc/09/32/57/463093257.db2.gz	WNOBPRIMCZJDKO-UHFFFAOYSA-N	-1	1	339.277	2.426	50	0		EEAAMM
O=C(NN1CC(=O)[N-]C1=O)c1ccc(CSc2ccccc2)cc1	ZINC000029018371	463239733	/nfs/dbraw/zinc/23/97/33/463239733.db2.gz	LRJURVFJLJGHBJ-UHFFFAOYSA-N	-1	1	341.392	2.176	50	0		EEAAMM
O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1	ZINC000110689298	463662501	/nfs/dbraw/zinc/66/25/01/463662501.db2.gz	WMVSJEKCVWZAFF-CKEIUWERSA-N	-1	1	335.363	2.489	50	0		EEAAMM
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)c1ccc([O-])cc1O	ZINC000010949797	201803966	/nfs/dbraw/zinc/80/39/66/201803966.db2.gz	BFUIWGGYFGBVKC-BTDLBPIBSA-N	-1	1	344.319	2.052	50	0		EEAAMM
C[C@@H](NC(=O)CSc1nc(N)cc(=O)[n-]1)c1cc2ccccc2o1	ZINC000032745104	202232506	/nfs/dbraw/zinc/23/25/06/202232506.db2.gz	QPVFOGYOLMBAPC-SECBINFHSA-N	-1	1	344.396	2.068	50	0		EEAAMM
Cc1ccc([N-]S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2C)cc1F	ZINC000035536724	202305630	/nfs/dbraw/zinc/30/56/30/202305630.db2.gz	OCUOWFMAQLLLNW-UHFFFAOYSA-N	-1	1	335.360	2.413	50	0		EEAAMM
O=C(CSc1nc(O)c(-c2ccccc2)c(=O)[n-]1)c1ccccc1	ZINC000000066868	462540750	/nfs/dbraw/zinc/54/07/50/462540750.db2.gz	XGGIPPFIKSBPHY-UHFFFAOYSA-N	-1	1	338.388	2.399	50	0		EEAAMM
CCC1(CCCC(=O)c2ccc(F)cc2)C(=O)[N-]C(=S)NC1=O	ZINC000000361684	462557281	/nfs/dbraw/zinc/55/72/81/462557281.db2.gz	DYYFBMSNWJBSGJ-UHFFFAOYSA-N	-1	1	336.388	2.106	50	0		EEAAMM
CC(=O)Nn1c(=O)c2cc(Cc3ccccc3)sc2[n-]c1=S	ZINC000006318070	462681892	/nfs/dbraw/zinc/68/18/92/462681892.db2.gz	VPUHAYNLJBHXKN-UHFFFAOYSA-N	-1	1	331.422	2.428	50	0		EEAAMM
CC[C@]1(C)Cc2ccccc2-c2nc(SCC(N)=O)[n-]c(=O)c21	ZINC000013140364	462885740	/nfs/dbraw/zinc/88/57/40/462885740.db2.gz	JULWFSFLEGNMRY-QGZVFWFLSA-N	-1	1	329.425	2.238	50	0		EEAAMM
CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000013849429	462905356	/nfs/dbraw/zinc/90/53/56/462905356.db2.gz	TUWNSPAUQAAJGG-UHFFFAOYSA-N	-1	1	336.388	2.257	50	0		EEAAMM
CC(C)Cn1c(=O)n(CCN2CCCCC2)c2cc(C(=O)[O-])cnc21	ZINC000055060552	463281028	/nfs/dbraw/zinc/28/10/28/463281028.db2.gz	QVUJVTUVHDJQGL-UHFFFAOYSA-N	-1	1	346.431	2.038	50	0		EEAAMM
C[C@@H](CN(C)C(=O)c1cccc(C(F)(F)F)c1F)c1nn[n-]n1	ZINC000124690996	463452688	/nfs/dbraw/zinc/45/26/88/463452688.db2.gz	LNLLUTMGDJFWRG-ZETCQYMHSA-N	-1	1	331.273	2.233	50	0		EEAAMM
CCn1nc(C[N-]S(=O)(=O)c2c(C)noc2C)c2ccccc21	ZINC000534580401	468265949	/nfs/dbraw/zinc/26/59/49/468265949.db2.gz	YTTLQZVNIAUUIZ-UHFFFAOYSA-N	-1	1	334.401	2.140	50	0		EEAAMM
Cc1[nH]nc(S(=O)(=O)Nc2ccc(Cl)cc2F)c1C(=O)[O-]	ZINC000738829142	578028052	/nfs/dbraw/zinc/02/80/52/578028052.db2.gz	LKDCREIBLOESCU-UHFFFAOYSA-N	-1	1	333.728	2.010	50	0		EEAAMM
CC(C)n1cnnc1CCNC(=O)c1ccc2cccnc2c1[O-]	ZINC000067884164	1250142917	/nfs/dbraw/zinc/14/29/17/1250142917.db2.gz	KKJDATCIHGSWQR-UHFFFAOYSA-N	-1	1	325.372	2.085	50	0		EEAAMM
COc1ccc(NC(=O)c2ccc(F)cc2)cc1[N-]S(C)(=O)=O	ZINC000024840941	202121470	/nfs/dbraw/zinc/12/14/70/202121470.db2.gz	QJOCOKQRNMVUCL-UHFFFAOYSA-N	-1	1	338.360	2.458	50	0		EEAAMM
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1c(C)[n-][nH]c1=O	ZINC000426624735	286412637	/nfs/dbraw/zinc/41/26/37/286412637.db2.gz	GKWZMXZPTMRXIZ-CQSZACIVSA-N	-1	1	345.399	2.393	50	0		EEAAMM
COc1ccc(C[C@H](C(=O)Nc2ccccc2F)c2nn[n-]n2)cc1	ZINC000000418756	462559920	/nfs/dbraw/zinc/55/99/20/462559920.db2.gz	UMARBLHQODLCMC-ZDUSSCGKSA-N	-1	1	341.346	2.312	50	0		EEAAMM
Cn1c(SCC(=O)c2ccc([O-])cc2O)nnc1C(F)(F)F	ZINC000003433375	462618962	/nfs/dbraw/zinc/61/89/62/462618962.db2.gz	QERLDZOFDAEVMN-UHFFFAOYSA-N	-1	1	333.291	2.220	50	0		EEAAMM
Nc1ncc(Br)cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000006800664	462705623	/nfs/dbraw/zinc/70/56/23/462705623.db2.gz	GKQLMFOSAWSWFZ-UHFFFAOYSA-N	-1	1	346.181	2.366	50	0		EEAAMM
CC(C)(C)c1ccc(O)c(NC(=O)CCc2n[nH]c(=S)[n-]c2=O)c1	ZINC000011332353	462830133	/nfs/dbraw/zinc/83/01/33/462830133.db2.gz	SYMNOHRHZAGUOB-UHFFFAOYSA-N	-1	1	348.428	2.402	50	0		EEAAMM
CCN1CCN(c2nc(C)c(Cc3cccc(Cl)c3)c(=O)[nH]2)CC1	ZINC000013858086	462905255	/nfs/dbraw/zinc/90/52/55/462905255.db2.gz	PDMGEJYBDQQDPD-UHFFFAOYSA-N	-1	1	346.862	2.464	50	0		EEAAMM
COc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)c1	ZINC000252495439	464968378	/nfs/dbraw/zinc/96/83/78/464968378.db2.gz	OQHZFUAJBCXNQK-UHFFFAOYSA-N	-1	1	334.397	2.479	50	0		EEAAMM
O=C1C[C@H](c2ccncc2)c2c(=O)[n-]c(N3CCCCC3)nc2N1	ZINC000670416126	471719995	/nfs/dbraw/zinc/71/99/95/471719995.db2.gz	OJHYXXLZDFDXCW-GFCCVEGCSA-N	-1	1	325.372	2.042	50	0		EEAAMM
CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccncc2)n1	ZINC000038742479	1230148564	/nfs/dbraw/zinc/14/85/64/1230148564.db2.gz	DHVFQCYZZDKARG-UHFFFAOYSA-N	-1	1	338.371	2.276	50	0		EEAAMM
Cc1cc(CN[C@H]2CCc3c(c(C(=O)[O-])nn3CC(C)C)C2)no1	ZINC000067852220	215231967	/nfs/dbraw/zinc/23/19/67/215231967.db2.gz	KYNMGVQWNAMDBC-LBPRGKRZSA-N	-1	1	332.404	2.181	50	0		EEAAMM
Cc1ccsc1C(=O)[N-]N1C(=O)N[C@@](C)(c2ccccc2)C1=O	ZINC000022521326	212304509	/nfs/dbraw/zinc/30/45/09/212304509.db2.gz	SGISGJUPGLZRSW-INIZCTEOSA-N	-1	1	329.381	2.169	50	0		EEAAMM
Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(F)c1)OCC(=O)N2	ZINC000020491627	212139511	/nfs/dbraw/zinc/13/95/11/212139511.db2.gz	SMOZPSBKGCFHRA-UHFFFAOYSA-N	-1	1	336.344	2.266	50	0		EEAAMM
O=C([O-])[C@@H]1SC2=NC(=O)SC2[C@H]2c3ccccc3OC(=O)[C@@H]12	ZINC000001825243	304155136	/nfs/dbraw/zinc/15/51/36/304155136.db2.gz	OKWDWXQSIUNHER-QXFUBDJGSA-N	-1	1	335.362	2.075	50	0	biogenic	EEAAMM
O=C([O-])[C@@H]1CN(CC(=O)NC2CCCCCC2)C[C@H]1c1ccccn1	ZINC000092046559	218111040	/nfs/dbraw/zinc/11/10/40/218111040.db2.gz	JKSPTGMJHVKQAV-HZPDHXFCSA-N	-1	1	345.443	2.021	50	0		EEAAMM
CCN1CCOc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O	ZINC000009828203	211125788	/nfs/dbraw/zinc/12/57/88/211125788.db2.gz	MMFHQDDGVBIYKU-UHFFFAOYSA-N	-1	1	346.408	2.342	50	0		EEAAMM
C[C@H](NC(=O)c1ccc2nc(-c3ccccc3)cn2c1)c1nn[n-]n1	ZINC000095387642	218318853	/nfs/dbraw/zinc/31/88/53/218318853.db2.gz	ALLRRTKMOPTKDI-NSHDSACASA-N	-1	1	333.355	2.005	50	0		EEAAMM
COc1cccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCCC3)c1	ZINC000008844250	211010297	/nfs/dbraw/zinc/01/02/97/211010297.db2.gz	NRVOAFWRWAUTMS-UHFFFAOYSA-N	-1	1	345.424	2.388	50	0		EEAAMM
CCOc1ccc([C@H]2CC(=O)Nc3nc(SC)[n-]c(=O)c32)cc1	ZINC000004944377	210334634	/nfs/dbraw/zinc/33/46/34/210334634.db2.gz	DQZFMFQOTZLYRQ-LLVKDONJSA-N	-1	1	331.397	2.365	50	0		EEAAMM
CC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1	ZINC000020720154	278044014	/nfs/dbraw/zinc/04/40/14/278044014.db2.gz	FKGYDDWWLMRTSP-HNNXBMFYSA-N	-1	1	335.791	2.111	50	0		EEAAMM
CC(C)N1C(=O)[C@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)[N-]C1=S	ZINC000229796794	279474059	/nfs/dbraw/zinc/47/40/59/279474059.db2.gz	JZXMAAKFTAPSJA-KSSFIOAISA-N	-1	1	343.452	2.261	50	0		EEAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)cc1C	ZINC000005483860	462660937	/nfs/dbraw/zinc/66/09/37/462660937.db2.gz	LEVIAUGCWKIIBP-UHFFFAOYSA-N	-1	1	329.385	2.080	50	0		EEAAMM
Cc1cc([O-])c(C(c2cccnc2)c2c(O)cc(C)oc2=O)c(=O)o1	ZINC000006266049	462680947	/nfs/dbraw/zinc/68/09/47/462680947.db2.gz	JUKMSJMWGKKGJE-UHFFFAOYSA-N	-1	1	341.319	2.196	50	0		EEAAMM
CCOc1cc([C@H]2CC(=O)Nc3nc(SC)[n-]c(=O)c32)ccc1O	ZINC000006748298	462703040	/nfs/dbraw/zinc/70/30/40/462703040.db2.gz	ZXHRLOJYCRPDOA-SECBINFHSA-N	-1	1	347.396	2.483	50	0		EEAAMM
O=c1[n-]c(N2CCOCC2)nc2ncn(-c3ccccc3)c(=S)c12	ZINC000030874532	463315102	/nfs/dbraw/zinc/31/51/02/463315102.db2.gz	GWOHNWKQDCOVHU-UHFFFAOYSA-N	-1	1	341.396	2.087	50	0		EEAAMM
CCOCCc1nnc([N-]C(=O)c2scc3c2OCCO3)s1	ZINC001529133494	1121333847	/nfs/dbraw/zinc/33/38/47/1121333847.db2.gz	MMJHDBIHRDOXRL-UHFFFAOYSA-N	-1	1	341.414	2.202	50	0		EEAAMM
Cc1[nH]nc(CCC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1C	ZINC000091518949	218016188	/nfs/dbraw/zinc/01/61/88/218016188.db2.gz	NXWAXFAISFIPCF-JKSUJKDBSA-N	-1	1	341.411	2.286	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(F)c(F)c2F)n1	ZINC000004997946	210354648	/nfs/dbraw/zinc/35/46/48/210354648.db2.gz	RILIQKAONHBNNK-UHFFFAOYSA-N	-1	1	329.303	2.226	50	0		EEAAMM
Cc1cc(=O)[n-]c(S[C@H](C)C(=O)NCc2cc(C(C)(C)C)n[nH]2)n1	ZINC000299796263	258100606	/nfs/dbraw/zinc/10/06/06/258100606.db2.gz	NLYWPEWSTPDSQL-SNVBAGLBSA-N	-1	1	349.460	2.308	50	0		EEAAMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	ZINC000000029704	462540185	/nfs/dbraw/zinc/54/01/85/462540185.db2.gz	FFCHNXCSDZOMAB-UHFFFAOYSA-N	-1	1	348.380	2.232	50	0		EEAAMM
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000000386204	462557743	/nfs/dbraw/zinc/55/77/43/462557743.db2.gz	QAFQIJJZOOMADW-UHFFFAOYSA-N	-1	1	325.411	2.199	50	0		EEAAMM
Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000007418882	462735070	/nfs/dbraw/zinc/73/50/70/462735070.db2.gz	DUTVFCFJXVBKLG-UHFFFAOYSA-N	-1	1	345.309	2.103	50	0		EEAAMM
O=C(COc1ccc(Oc2ccccn2)cc1)Nn1cn[n-]c1=S	ZINC000012538229	462855565	/nfs/dbraw/zinc/85/55/65/462855565.db2.gz	UMWQMAGIHGGWDM-UHFFFAOYSA-N	-1	1	343.368	2.277	50	0		EEAAMM
COc1ccccc1NC(=O)CSc1nc([O-])c(C(C)C)c(=O)[nH]1	ZINC000013957221	462906141	/nfs/dbraw/zinc/90/61/41/462906141.db2.gz	RRRHGOKTTURESG-UHFFFAOYSA-N	-1	1	349.412	2.338	50	0		EEAAMM
CO[C@@H]1CCN(c2ccc([N-]S(=O)(=O)c3cccnc3)cc2)C1	ZINC000096122357	463181831	/nfs/dbraw/zinc/18/18/31/463181831.db2.gz	YKEHUBQJZNXCAS-OAHLLOKOSA-N	-1	1	333.413	2.108	50	0		EEAAMM
CCCc1nc2[n-]cnn2c(=O)c1NC(=O)NCc1ccccc1	ZINC000033266146	463419479	/nfs/dbraw/zinc/41/94/79/463419479.db2.gz	JDPWLSFGIGQQAJ-UHFFFAOYSA-N	-1	1	326.360	2.104	50	0		EEAAMM
O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cnc(N2CCCC2)nc1	ZINC000215360965	464105747	/nfs/dbraw/zinc/10/57/47/464105747.db2.gz	SDMZFMQALWSJJO-QGZVFWFLSA-N	-1	1	338.411	2.088	50	0		EEAAMM
Cc1cc([C@@H](C(=O)[O-])N2CCCN(C(=O)C3CC3)CC2)ccc1F	ZINC001506411290	1114599682	/nfs/dbraw/zinc/59/96/82/1114599682.db2.gz	XZPBGDZLXTVALY-INIZCTEOSA-N	-1	1	334.391	2.204	50	0		EEAAMM
O=C([O-])COc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1C(=O)[O-]	ZINC000244619977	304070324	/nfs/dbraw/zinc/07/03/24/304070324.db2.gz	FJPFWHLJSXUOKC-GFCCVEGCSA-N	-1	1	327.764	2.243	50	0		EEAAMM
CC(C)c1ncc(C(=O)N2CCC(CCn3cccn3)CC2)c(=O)[n-]1	ZINC000253536735	244017505	/nfs/dbraw/zinc/01/75/05/244017505.db2.gz	MNEIMIDLGDBUTL-UHFFFAOYSA-N	-1	1	343.431	2.445	50	0		EEAAMM
Cc1cc(C[C@@H](C)NC(=O)c2cnc(-c3cccs3)[n-]c2=O)[nH]n1	ZINC000091416451	218002048	/nfs/dbraw/zinc/00/20/48/218002048.db2.gz	KEQPEHPZZSPTNL-SECBINFHSA-N	-1	1	343.412	2.303	50	0		EEAAMM
CC(C)(C)c1ccccc1NC(=O)CSc1nc(N)cc(=O)[n-]1	ZINC000011535508	211220625	/nfs/dbraw/zinc/22/06/25/211220625.db2.gz	AOHGGXZHHIXSQE-UHFFFAOYSA-N	-1	1	332.429	2.380	50	0		EEAAMM
COc1ccc(CC[C@@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1	ZINC000091873362	218082209	/nfs/dbraw/zinc/08/22/09/218082209.db2.gz	VFPBELHUGDUMNC-GFCCVEGCSA-N	-1	1	341.411	2.407	50	0		EEAAMM
O=C([O-])[C@@H]1CN(C(=O)C2CCN(Cc3ccco3)CC2)C[C@H]1C1CC1	ZINC000091986993	218099888	/nfs/dbraw/zinc/09/98/88/218099888.db2.gz	PEEGTMPXRHVNCS-DLBZAZTESA-N	-1	1	346.427	2.061	50	0		EEAAMM
O=S1(=O)N=C2CCCCCN2[C@H](c2ccc(OC(F)F)cc2)[N-]1	ZINC000006848359	280352483	/nfs/dbraw/zinc/35/24/83/280352483.db2.gz	AIYAKMCHYNGAIK-CYBMUJFWSA-N	-1	1	345.371	2.409	50	0		EEAAMM
CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(C)=O)cc2)n1	ZINC000005154936	462647604	/nfs/dbraw/zinc/64/76/04/462647604.db2.gz	SOROYMZNTJCSGX-UHFFFAOYSA-N	-1	1	331.397	2.266	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)NCc2ccc(F)cc2)n1	ZINC000015912032	462965798	/nfs/dbraw/zinc/96/57/98/462965798.db2.gz	JIFQEUVPOWTION-UHFFFAOYSA-N	-1	1	335.404	2.270	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)NCCc2ccc(Cl)cc2)n1	ZINC000018254531	463011060	/nfs/dbraw/zinc/01/10/60/463011060.db2.gz	SUFSNHJWDKBGTR-UHFFFAOYSA-N	-1	1	337.832	2.183	50	0		EEAAMM
Cc1cc(C(=O)[N-]N2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)o1	ZINC000025875673	463143276	/nfs/dbraw/zinc/14/32/76/463143276.db2.gz	CITFCBYEVDKMNH-KRWDZBQOSA-N	-1	1	327.340	2.008	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2cc(F)c3[nH]c(=O)ccc3c2)cc1	ZINC000033127246	463414362	/nfs/dbraw/zinc/41/43/62/463414362.db2.gz	SNSSXIVNWIHOEA-UHFFFAOYSA-N	-1	1	348.355	2.477	50	0		EEAAMM
CCN1C(=S)N=NC1CNC(=O)c1ccc2ccccc2c1[O-]	ZINC000108896410	463627639	/nfs/dbraw/zinc/62/76/39/463627639.db2.gz	ALFQXFLNOXGRLL-UHFFFAOYSA-N	-1	1	328.397	2.376	50	0		EEAAMM
CC[C@H](C)NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1	ZINC000102032647	219181372	/nfs/dbraw/zinc/18/13/72/219181372.db2.gz	VRMWNCYCCGIHQW-JTQLQIEISA-N	-1	1	325.434	2.071	50	0		EEAAMM
Cc1c(C(=O)NCc2cccs2)cnn1-c1nc(C)c(C)c(=O)[n-]1	ZINC000038670884	213219174	/nfs/dbraw/zinc/21/91/74/213219174.db2.gz	LFJKOTPYTWPOBP-UHFFFAOYSA-N	-1	1	343.412	2.285	50	0		EEAAMM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000035536714	213035979	/nfs/dbraw/zinc/03/59/79/213035979.db2.gz	RTKHVMSYSJCZAM-UHFFFAOYSA-N	-1	1	345.424	2.295	50	0		EEAAMM
CCCC(=O)Nc1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O	ZINC000021171376	212214542	/nfs/dbraw/zinc/21/45/42/212214542.db2.gz	SURYNLSXASVMCH-UHFFFAOYSA-N	-1	1	325.372	2.468	50	0		EEAAMM
CCn1cc(CN(C)C(=O)c2cnc(-c3cccs3)[n-]c2=O)cn1	ZINC000091468560	218011221	/nfs/dbraw/zinc/01/12/21/218011221.db2.gz	DPDVPAIMVWOVGX-UHFFFAOYSA-N	-1	1	343.412	2.399	50	0		EEAAMM
CCCc1ccc(CN2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)o1	ZINC000095387626	218319236	/nfs/dbraw/zinc/31/92/36/218319236.db2.gz	WEFBVUNTDYSZFO-HNNXBMFYSA-N	-1	1	334.416	2.130	50	0		EEAAMM
Cc1cc(C)nc(CN(C)c2nc(N)nc(C)c2CCC(=O)[O-])c1	ZINC000095382641	291872567	/nfs/dbraw/zinc/87/25/67/291872567.db2.gz	RCJGGOXQRXCSGV-UHFFFAOYSA-N	-1	1	329.404	2.033	50	0		EEAAMM
O=C(C[C@@H](c1ccccc1)c1ccc(F)cc1)NCCc1nn[n-]n1	ZINC000055060567	258061107	/nfs/dbraw/zinc/06/11/07/258061107.db2.gz	NMWPAQMARUHZHV-INIZCTEOSA-N	-1	1	339.374	2.220	50	0		EEAAMM
COc1ccccc1NC(=O)[C@H](Cc1cccc(C)c1)c1nn[n-]n1	ZINC000006556974	462691065	/nfs/dbraw/zinc/69/10/65/462691065.db2.gz	MCCVIXSYRICFSX-CQSZACIVSA-N	-1	1	337.383	2.482	50	0		EEAAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc(C)cc2)n1	ZINC000007419453	462735394	/nfs/dbraw/zinc/73/53/94/462735394.db2.gz	KDQFYXLIEUAYIS-UHFFFAOYSA-N	-1	1	337.383	2.387	50	0		EEAAMM
CC(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[n-]1)CCC2	ZINC000011855694	462840183	/nfs/dbraw/zinc/84/01/83/462840183.db2.gz	ITLYVGDVWSXUNM-UHFFFAOYSA-N	-1	1	341.396	2.131	50	0		EEAAMM
CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)N(C)O[C@@]1([O-])C(F)(F)F	ZINC000013395025	462891684	/nfs/dbraw/zinc/89/16/84/462891684.db2.gz	ZDDQDAHTCZZNHC-OUCADQQQSA-N	-1	1	349.305	2.044	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(C)=O)CC3)cc1	ZINC000013697036	462901037	/nfs/dbraw/zinc/90/10/37/462901037.db2.gz	ZLJQWECMCBEMTH-UHFFFAOYSA-N	-1	1	346.408	2.405	50	0		EEAAMM
CCCCNC(=O)CSc1nc([O-])cc(=O)n1Cc1ccccc1	ZINC000013957061	462906532	/nfs/dbraw/zinc/90/65/32/462906532.db2.gz	VHTMYPKUHITENV-UHFFFAOYSA-N	-1	1	347.440	2.006	50	0		EEAAMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)cc1	ZINC000025694662	463134380	/nfs/dbraw/zinc/13/43/80/463134380.db2.gz	BPSVFFXDQYNWLU-UHFFFAOYSA-N	-1	1	346.364	2.021	50	0		EEAAMM
C[C@H](NC(=O)CSc1nc2[nH]cnc2c(=O)[n-]1)c1ccccc1	ZINC000033027587	463409460	/nfs/dbraw/zinc/40/94/60/463409460.db2.gz	BBESJQSSAAZEIX-VIFPVBQESA-N	-1	1	329.385	2.028	50	0		EEAAMM
CO[C@@H](C)c1nnc([N-]C(=O)c2csc(-c3ncccn3)n2)s1	ZINC001529147434	1121339788	/nfs/dbraw/zinc/33/97/88/1121339788.db2.gz	ZHAYKMGVJIXXEY-ZETCQYMHSA-N	-1	1	348.413	2.411	50	0		EEAAMM
CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cccc(NCC(=O)[O-])c1	ZINC000055100339	214274014	/nfs/dbraw/zinc/27/40/14/214274014.db2.gz	ICJOFMUHMXVAIP-UHFFFAOYSA-N	-1	1	342.399	2.057	50	0		EEAAMM
CCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@@H+](C)Cc1ccnc(C)c1)C2	ZINC000067771177	215207090	/nfs/dbraw/zinc/20/70/90/215207090.db2.gz	DKIZBLDIHZEIOM-CQSZACIVSA-N	-1	1	328.416	2.294	50	0		EEAAMM
COc1ccc([C@@H](NC(=O)c2c([O-])cccc2F)[C@H]2C[C@@H](O)C2)cn1	ZINC000244708033	243061882	/nfs/dbraw/zinc/06/18/82/243061882.db2.gz	KMILZYDJGVMJNX-BWACUDIHSA-N	-1	1	346.358	2.177	50	0		EEAAMM
O=C([O-])[C@H]1Cc2nc[nH]c2CN1C(=O)c1csc2c1CCCC2	ZINC000096179595	304205387	/nfs/dbraw/zinc/20/53/87/304205387.db2.gz	UUNFSAWXOGKCEN-CYBMUJFWSA-N	-1	1	331.397	2.002	50	0		EEAAMM
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)c1ccc([O-])cc1O	ZINC000010949788	211196221	/nfs/dbraw/zinc/19/62/21/211196221.db2.gz	BFUIWGGYFGBVKC-QGHHPUGFSA-N	-1	1	344.319	2.052	50	0		EEAAMM
COC(=O)c1sc2[n-]c(COC(=O)c3ccoc3)nc(=O)c2c1C	ZINC000010219832	211154986	/nfs/dbraw/zinc/15/49/86/211154986.db2.gz	MCKAAJAXXWRUTM-UHFFFAOYSA-N	-1	1	348.336	2.030	50	0		EEAAMM
Cc1ccn2c(c1)nc([O-])c(C(=O)NCc1ccc(Cl)cc1)c2=O	ZINC000009830171	211126291	/nfs/dbraw/zinc/12/62/91/211126291.db2.gz	ZOWRNYNBSWGZMB-UHFFFAOYSA-N	-1	1	343.770	2.292	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2OC)n1	ZINC000005728036	462667257	/nfs/dbraw/zinc/66/72/57/462667257.db2.gz	RNCWCIKSJSOGCA-UHFFFAOYSA-N	-1	1	333.413	2.462	50	0		EEAAMM
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1	ZINC000006316282	462681839	/nfs/dbraw/zinc/68/18/39/462681839.db2.gz	IXPDYJBQGFXGIH-UHFFFAOYSA-N	-1	1	330.409	2.465	50	0		EEAAMM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1	ZINC000007323295	462730477	/nfs/dbraw/zinc/73/04/77/462730477.db2.gz	QJOSHGFJDMFFAX-UHFFFAOYSA-N	-1	1	348.380	2.232	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)NC2Cc3ccccc3C2)n1	ZINC000008648587	462790779	/nfs/dbraw/zinc/79/07/79/462790779.db2.gz	NWXUMTZSJWCWEX-UHFFFAOYSA-N	-1	1	343.452	2.098	50	0		EEAAMM
Cc1nccc(C2CCN(C(=O)c3cnc(C4CC4)[n-]c3=O)CC2)n1	ZINC000584890620	468956561	/nfs/dbraw/zinc/95/65/61/468956561.db2.gz	PNULJPXMOWNNGC-UHFFFAOYSA-N	-1	1	339.399	2.178	50	0		EEAAMM
CC(=O)Nc1ccc(C(=O)N[C@H](C)Cc2ncccc2C)c([O-])c1	ZINC000584894833	468958033	/nfs/dbraw/zinc/95/80/33/468958033.db2.gz	XSVBJXJXXWOZTP-GFCCVEGCSA-N	-1	1	327.384	2.415	50	0		EEAAMM
Cc1ncc(CN(CC(=O)[O-])C(=O)[C@H](C)Oc2ccc(C)c(C)c2)[nH]1	ZINC001772701634	1179284834	/nfs/dbraw/zinc/28/48/34/1179284834.db2.gz	LSJBGGWBLHKCAY-ZDUSSCGKSA-N	-1	1	345.399	2.216	50	0		EEAAMM
Cc1ncc(CN(CC(=O)[O-])C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)[nH]1	ZINC001772701629	1179284976	/nfs/dbraw/zinc/28/49/76/1179284976.db2.gz	LSJBGGWBLHKCAY-CYBMUJFWSA-N	-1	1	345.399	2.216	50	0		EEAAMM
CCc1c(C)[n-]n(-c2cccc(-c3ncnn3CC(C)(C)O)c2)c1=O	ZINC000823488620	798737613	/nfs/dbraw/zinc/73/76/13/798737613.db2.gz	UZMGAUJBZZWBGD-UHFFFAOYSA-N	-1	1	341.415	2.478	50	0		EEAAMM
O=C(NCc1cccc(-n2cccn2)c1)c1nc2ccccc2c(=O)[n-]1	ZINC000067820412	215221729	/nfs/dbraw/zinc/22/17/29/215221729.db2.gz	NGSBSZLSZKRKJA-UHFFFAOYSA-N	-1	1	345.362	2.039	50	0		EEAAMM
C[C@@H](Cc1cnccn1)NC(=O)c1cnc(-c2cccs2)[n-]c1=O	ZINC000091678714	218045662	/nfs/dbraw/zinc/04/56/62/218045662.db2.gz	UPODJLGGGLUQQW-JTQLQIEISA-N	-1	1	341.396	2.062	50	0		EEAAMM
COCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000010367866	211168850	/nfs/dbraw/zinc/16/88/50/211168850.db2.gz	RRLLRIPTCONHRY-UHFFFAOYSA-N	-1	1	348.424	2.172	50	0		EEAAMM
COc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)n1	ZINC000004999465	210356272	/nfs/dbraw/zinc/35/62/72/210356272.db2.gz	JETYADYFIJWWEW-JTQLQIEISA-N	-1	1	347.396	2.100	50	0		EEAAMM
CC(C)N1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCCC[C@@H]32)C1=O	ZINC000008694596	462791891	/nfs/dbraw/zinc/79/18/91/462791891.db2.gz	SOQIBDKBEHXXOX-BEFAXECRSA-N	-1	1	341.411	2.075	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCc2nc3ccccc3c(=O)[nH]2)n1	ZINC000018137955	463007130	/nfs/dbraw/zinc/00/71/30/463007130.db2.gz	DNXXCOQTEWXDRB-UHFFFAOYSA-N	-1	1	328.397	2.251	50	0		EEAAMM
Cn1nc(-c2ccccc2)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000095480626	463093354	/nfs/dbraw/zinc/09/33/54/463093354.db2.gz	FKTALKADIGIGKR-UHFFFAOYSA-N	-1	1	336.277	2.476	50	0		EEAAMM
Cc1nc2[n-]c(N(Cc3cccs3)C(=O)C(C)C)nn2c(=O)c1C	ZINC000101860973	463382879	/nfs/dbraw/zinc/38/28/79/463382879.db2.gz	SRCIXFFUEQHTHY-UHFFFAOYSA-N	-1	1	345.428	2.285	50	0		EEAAMM
CN(C)C(=O)c1ccc(CNC(=O)Cc2ccc([O-])c(Cl)c2)o1	ZINC000219053256	241361766	/nfs/dbraw/zinc/36/17/66/241361766.db2.gz	HQLWZFRBRNVCKL-UHFFFAOYSA-N	-1	1	336.775	2.199	50	0		EEAAMM
CON(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000008988434	211026982	/nfs/dbraw/zinc/02/69/82/211026982.db2.gz	KFEFHFDCUZIGJT-UHFFFAOYSA-N	-1	1	338.360	2.260	50	0		EEAAMM
Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ncccc2[O-])o1	ZINC000127411569	462550334	/nfs/dbraw/zinc/55/03/34/462550334.db2.gz	RBGSYQJNQNPJJO-AWEZNQCLSA-N	-1	1	336.351	2.418	50	0		EEAAMM
CC(C)(C)OC(=O)N1CCc2nc(-c3cccnc3)[n-]c(=O)c2C1	ZINC000113782336	462613083	/nfs/dbraw/zinc/61/30/83/462613083.db2.gz	FNMPHJRHNBWBGG-UHFFFAOYSA-N	-1	1	328.372	2.125	50	0		EEAAMM
O=S(=O)([N-]c1ccccc1N1CCOCC1)c1cccc(F)c1	ZINC000007055367	462719877	/nfs/dbraw/zinc/71/98/77/462719877.db2.gz	FUEYHENSAMZFJZ-UHFFFAOYSA-N	-1	1	336.388	2.463	50	0		EEAAMM
CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CC(C)C)c1	ZINC000013015890	462882457	/nfs/dbraw/zinc/88/24/57/462882457.db2.gz	LRRHXNPTMHEWKE-UHFFFAOYSA-N	-1	1	328.434	2.407	50	0		EEAAMM
CC(C)(C)OC(=O)N1CCN(C[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000029753814	463271351	/nfs/dbraw/zinc/27/13/51/463271351.db2.gz	BBMNXLMHULBUDC-OAHLLOKOSA-N	-1	1	334.416	2.408	50	0		EEAAMM
O=C(NCc1cccnc1N1CCOCC1)c1cc(Cl)ccc1[O-]	ZINC000031327219	463335377	/nfs/dbraw/zinc/33/53/77/463335377.db2.gz	SQPRCURJJYKIRJ-UHFFFAOYSA-N	-1	1	347.802	2.207	50	0		EEAAMM
Cc1cc(C)n(CCC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)n1	ZINC000033047727	463410250	/nfs/dbraw/zinc/41/02/50/463410250.db2.gz	SVUCKWIOCHMWNC-UHFFFAOYSA-N	-1	1	347.362	2.286	50	0		EEAAMM
CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000003432041	210037976	/nfs/dbraw/zinc/03/79/76/210037976.db2.gz	DFZXMAZBZZYEEF-UHFFFAOYSA-N	-1	1	347.364	2.169	50	0		EEAAMM
O=C(CSc1nnnn1-c1ccccc1)c1ccc([O-])cc1O	ZINC000003300342	210002246	/nfs/dbraw/zinc/00/22/46/210002246.db2.gz	JELSOITVJDFTAS-UHFFFAOYSA-N	-1	1	328.353	2.049	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)N2CCCC[C@@H]2c2ccccn2)n1	ZINC000215474684	241129831	/nfs/dbraw/zinc/12/98/31/241129831.db2.gz	GOEDYYRQGYTUGP-CQSZACIVSA-N	-1	1	344.440	2.319	50	0		EEAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)cc1	ZINC000012520954	211397967	/nfs/dbraw/zinc/39/79/67/211397967.db2.gz	LPGXLUSWIMQYLK-UHFFFAOYSA-N	-1	1	340.426	2.167	50	0		EEAAMM
CCC(=O)Nc1cc(-c2ccco2)nn1-c1nc(CC)cc(=O)[n-]1	ZINC000012006600	211279490	/nfs/dbraw/zinc/27/94/90/211279490.db2.gz	DJUPBLMGNORTSF-UHFFFAOYSA-N	-1	1	327.344	2.127	50	0		EEAAMM
Cc1ccc(-c2ncc(C(=O)NCc3cccc(C)n3)c(=O)[n-]2)cc1	ZINC000091848343	218077465	/nfs/dbraw/zinc/07/74/65/218077465.db2.gz	LQFPPKZSWNSKNQ-UHFFFAOYSA-N	-1	1	334.379	2.379	50	0		EEAAMM
C[C@H](CN(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1nn[n-]n1	ZINC000124169616	222386331	/nfs/dbraw/zinc/38/63/31/222386331.db2.gz	DXLRCNABOPDKDC-LLVKDONJSA-N	-1	1	345.403	2.031	50	0		EEAAMM
COc1ccc([O-])c(C(=O)c2cnn(C(=O)c3ccc(O)cc3)c2)c1	ZINC000006847420	462707782	/nfs/dbraw/zinc/70/77/82/462707782.db2.gz	LVNLMVTZHRKJIB-UHFFFAOYSA-N	-1	1	338.319	2.222	50	0		EEAAMM
O=S(=O)([N-]Cc1ccc2c(c1)OCCO2)c1cc(F)ccc1F	ZINC000032550151	463382294	/nfs/dbraw/zinc/38/22/94/463382294.db2.gz	MHGHVQCOTINFOQ-UHFFFAOYSA-N	-1	1	341.335	2.215	50	0		EEAAMM
CNC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)CC1	ZINC000243957166	464459381	/nfs/dbraw/zinc/45/93/81/464459381.db2.gz	CHAOTGQDVXNJIF-AULYBMBSSA-N	-1	1	338.835	2.257	50	0		EEAAMM
CC(C)c1ncc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(=O)[n-]1	ZINC000071755500	1370278596	/nfs/dbraw/zinc/27/85/96/1370278596.db2.gz	BKXZMZOTTHJPAX-HNNXBMFYSA-N	-1	1	345.374	2.246	50	0		EEAAMM
CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(=O)[n-]2)cc1	ZINC000004741541	210265266	/nfs/dbraw/zinc/26/52/66/210265266.db2.gz	OAXGRHDCFRXTJS-NSHDSACASA-N	-1	1	331.397	2.400	50	0		EEAAMM
O=C(NCCOCc1ccc(Cl)cc1)c1cnc(C2CC2)[n-]c1=O	ZINC000097819620	219058822	/nfs/dbraw/zinc/05/88/22/219058822.db2.gz	MWRVBKOJAPXZHH-UHFFFAOYSA-N	-1	1	347.802	2.247	50	0		EEAAMM
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000036389592	213093823	/nfs/dbraw/zinc/09/38/23/213093823.db2.gz	IRKQXLDBLCFKDF-UHFFFAOYSA-N	-1	1	349.364	2.281	50	0		EEAAMM
Cc1ccccc1[C@@H]1CN(C(=O)CN2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000092038715	218109135	/nfs/dbraw/zinc/10/91/35/218109135.db2.gz	SWFJLSDVIBCZQY-DLBZAZTESA-N	-1	1	330.428	2.108	50	0		EEAAMM
O=C([O-])CCCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000116344104	220954097	/nfs/dbraw/zinc/95/40/97/220954097.db2.gz	GTJRKDNAXFJBEF-UHFFFAOYSA-N	-1	1	344.333	2.328	50	0		EEAAMM
CC(C)(C)c1ncc(C(=O)N[C@H]2CCc3ccccc3C2)c(=O)[n-]1	ZINC000091468565	275540073	/nfs/dbraw/zinc/54/00/73/275540073.db2.gz	PRDQZTNIMVOPEX-AWEZNQCLSA-N	-1	1	325.412	2.355	50	0		EEAAMM
CC[C@@H](C)n1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)c(=O)[nH]c1=S	ZINC000000487850	462566740	/nfs/dbraw/zinc/56/67/40/462566740.db2.gz	IAEWABWESGTFLQ-FUXBKTLASA-N	-1	1	349.412	2.237	50	0	biogenic	EEAAMM
COc1cccc(C[C@@H](C(=O)Nc2cccc(C)c2)c2nn[n-]n2)c1	ZINC000006556986	462691316	/nfs/dbraw/zinc/69/13/16/462691316.db2.gz	WMCICVPDSTZKDS-MRXNPFEDSA-N	-1	1	337.383	2.482	50	0		EEAAMM
COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1	ZINC000006623198	462693380	/nfs/dbraw/zinc/69/33/80/462693380.db2.gz	NJJLCUANOGUHPZ-UHFFFAOYSA-N	-1	1	333.365	2.477	50	0		EEAAMM
Cc1noc2nc(C)cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c12	ZINC000026252724	463155252	/nfs/dbraw/zinc/15/52/52/463155252.db2.gz	CLAZBTUWRLHCNE-UHFFFAOYSA-N	-1	1	326.238	2.229	50	0		EEAAMM
O=C1C[C@H](c2cccnc2)c2c(=O)[n-]c(N3CCCCC3)nc2N1	ZINC000670416194	471719462	/nfs/dbraw/zinc/71/94/62/471719462.db2.gz	XOIUSTZRGYBHBJ-GFCCVEGCSA-N	-1	1	325.372	2.042	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3s2)o1	ZINC000035597498	213041611	/nfs/dbraw/zinc/04/16/11/213041611.db2.gz	LLTPBSLNZXCIEO-UHFFFAOYSA-N	-1	1	337.382	2.050	50	0		EEAAMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1	ZINC000012520845	211397846	/nfs/dbraw/zinc/39/78/46/211397846.db2.gz	ZMRGCEUCOAPXCF-UHFFFAOYSA-N	-1	1	349.364	2.045	50	0		EEAAMM
O=C([O-])[C@@H]1CN(CC(=O)NC2CCCCC2)C[C@H]1c1cccc(F)c1	ZINC000091526871	218017620	/nfs/dbraw/zinc/01/76/20/218017620.db2.gz	CRWRPKFRMGDMAV-DLBZAZTESA-N	-1	1	348.418	2.375	50	0		EEAAMM
O=C([O-])[C@H](/C=C/c1ccccc1)N1CCN(Cc2ccccn2)CC1	ZINC000095353730	218287466	/nfs/dbraw/zinc/28/74/66/218287466.db2.gz	NGEAOSCCSKCCPJ-YXBWYFRISA-N	-1	1	337.423	2.366	50	0		EEAAMM
Cc1cc(NC(=O)c2ccccc2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1	ZINC000007422559	462734457	/nfs/dbraw/zinc/73/44/57/462734457.db2.gz	LNJFSMSTFARYGB-UHFFFAOYSA-N	-1	1	335.367	2.005	50	0		EEAAMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(c2ccccc2)CC1	ZINC000020136976	463023716	/nfs/dbraw/zinc/02/37/16/463023716.db2.gz	VFOLQNVUVPWAHT-UHFFFAOYSA-N	-1	1	334.379	2.298	50	0		EEAAMM
CON(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000017793258	211971958	/nfs/dbraw/zinc/97/19/58/211971958.db2.gz	IEJIESZWWNQDES-UHFFFAOYSA-N	-1	1	334.397	2.429	50	0		EEAAMM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1	ZINC000012428830	211377501	/nfs/dbraw/zinc/37/75/01/211377501.db2.gz	LDJYNPQUIPZXAN-UHFFFAOYSA-N	-1	1	332.381	2.320	50	0		EEAAMM
CCn1ncnc1[C@@H](C)NC(=O)c1cnc(-c2cccs2)[n-]c1=O	ZINC000091444513	218007634	/nfs/dbraw/zinc/00/76/34/218007634.db2.gz	XXYGAKGNODOXMF-SECBINFHSA-N	-1	1	344.400	2.013	50	0		EEAAMM
CCN(CCNC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc(C)c1	ZINC000091713690	218054058	/nfs/dbraw/zinc/05/40/58/218054058.db2.gz	OZZMUKCTRSTXOM-UHFFFAOYSA-N	-1	1	340.427	2.212	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCc2cc(=O)n3ccsc3n2)n1	ZINC000011443299	211216838	/nfs/dbraw/zinc/21/68/38/211216838.db2.gz	VLINBIHKSUSAHE-UHFFFAOYSA-N	-1	1	334.426	2.084	50	0		EEAAMM
Cc1cc(NC(=O)Cc2cccc(C)c2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000007419087	462734442	/nfs/dbraw/zinc/73/44/42/462734442.db2.gz	FUJJWLNGGZIAGB-UHFFFAOYSA-N	-1	1	337.383	2.062	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccnn2C(C)C)n1	ZINC000017992501	463004461	/nfs/dbraw/zinc/00/44/61/463004461.db2.gz	LCZAQVHPXWUAAG-UHFFFAOYSA-N	-1	1	335.433	2.231	50	0		EEAAMM
O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(Cl)ccc1[O-]	ZINC000022283189	463048419	/nfs/dbraw/zinc/04/84/19/463048419.db2.gz	QHIUXFFYMNRTJQ-UHFFFAOYSA-N	-1	1	347.802	2.207	50	0		EEAAMM
Cc1cccc(OCCC[N-]S(=O)(=O)c2ncn(C)c2Cl)c1	ZINC000027964998	463211316	/nfs/dbraw/zinc/21/13/16/463211316.db2.gz	GVMQOYFTMRSOKU-UHFFFAOYSA-N	-1	1	343.836	2.129	50	0		EEAAMM
O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1nc2ccccc2c(=O)[n-]1	ZINC000032824214	463397460	/nfs/dbraw/zinc/39/74/60/463397460.db2.gz	GISTXHCCDZDHOM-AWEZNQCLSA-N	-1	1	348.406	2.179	50	0		EEAAMM
CC(C)CCC[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)CCO1	ZINC000071771017	463424423	/nfs/dbraw/zinc/42/44/23/463424423.db2.gz	ZKMZVSNVSPRMBJ-CQSZACIVSA-N	-1	1	333.432	2.315	50	0		EEAAMM
O=C(c1ccc2c(c1)OCO2)c1c[n-]c2cc3c(cc2c1=O)OCO3	ZINC000067340981	215135273	/nfs/dbraw/zinc/13/52/73/215135273.db2.gz	ZWDXKOUVXIZOOO-UHFFFAOYSA-N	-1	1	337.287	2.217	50	0		EEAAMM
Cc1cc2ncc([N-]S(=O)(=O)Cc3cc(F)ccc3F)cn2n1	ZINC000206739238	241050278	/nfs/dbraw/zinc/05/02/78/241050278.db2.gz	VBMZULWRBHBIKL-UHFFFAOYSA-N	-1	1	338.339	2.258	50	0		EEAAMM
O=C(CSc1nccc(=O)[n-]1)Nc1ccccc1Br	ZINC000018172822	211985772	/nfs/dbraw/zinc/98/57/72/211985772.db2.gz	LWDZRTAXGONEAY-UHFFFAOYSA-N	-1	1	340.202	2.263	50	0		EEAAMM
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)ccc21	ZINC000004959224	210340750	/nfs/dbraw/zinc/34/07/50/210340750.db2.gz	YQIWEVKGNJNRJH-UHFFFAOYSA-N	-1	1	340.307	2.211	50	0		EEAAMM
CC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1	ZINC000020720150	278043677	/nfs/dbraw/zinc/04/36/77/278043677.db2.gz	FKGYDDWWLMRTSP-OAHLLOKOSA-N	-1	1	335.791	2.111	50	0		EEAAMM
CC[C@@H](C)n1c([O-])c([C@H]2OCc3cnc(C)c(O)c32)c(=O)[nH]c1=S	ZINC000000487852	462566436	/nfs/dbraw/zinc/56/64/36/462566436.db2.gz	IAEWABWESGTFLQ-UHLUBPPHSA-N	-1	1	349.412	2.237	50	0	biogenic	EEAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)cc1	ZINC000031720122	463351490	/nfs/dbraw/zinc/35/14/90/463351490.db2.gz	QMSASQAXVHFPDH-UHFFFAOYSA-N	-1	1	348.380	2.453	50	0		EEAAMM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CN1CCCCCC1	ZINC000952985701	796149993	/nfs/dbraw/zinc/14/99/93/796149993.db2.gz	IWETXWVTTVIDJN-UHFFFAOYSA-N	-1	1	334.445	2.231	50	0		EEAAMM
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1	ZINC000004411708	210189492	/nfs/dbraw/zinc/18/94/92/210189492.db2.gz	JZPDQBBEWZGVNK-UHFFFAOYSA-N	-1	1	332.381	2.015	50	0		EEAAMM
COc1ccc(NCc2nn(Cc3cccc(F)c3)c(=O)[n-]2)cc1	ZINC000040268184	213286905	/nfs/dbraw/zinc/28/69/05/213286905.db2.gz	SAVWETVGZNTAJC-UHFFFAOYSA-N	-1	1	328.347	2.380	50	0		EEAAMM
CCc1ccccc1OC1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000091444595	218007393	/nfs/dbraw/zinc/00/73/93/218007393.db2.gz	ZVQQSAATPUXQCY-UHFFFAOYSA-N	-1	1	339.395	2.113	50	0		EEAAMM
CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc(=O)n3C)cc1	ZINC000009526620	211096489	/nfs/dbraw/zinc/09/64/89/211096489.db2.gz	ADBIDZYGBUZNHU-UHFFFAOYSA-N	-1	1	332.381	2.495	50	0		EEAAMM
C[C@@]1(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)CC1(Cl)Cl	ZINC000005030942	210369447	/nfs/dbraw/zinc/36/94/47/210369447.db2.gz	HAIYTRQNTXETRG-ZDUSSCGKSA-N	-1	1	330.167	2.070	50	0		EEAAMM
Cc1nnc([N-]C(=O)c2cc3c(nc4ccccn4c3=O)s2)s1	ZINC000006816772	279228837	/nfs/dbraw/zinc/22/88/37/279228837.db2.gz	WEDFRWJBDAFKKW-UHFFFAOYSA-N	-1	1	343.393	2.321	50	0		EEAAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000001556291	462583940	/nfs/dbraw/zinc/58/39/40/462583940.db2.gz	ITDHDVCEESSZJL-UHFFFAOYSA-N	-1	1	325.411	2.199	50	0		EEAAMM
CCCCOc1ccc(NC(=O)CSc2nc(N)cc(=O)[n-]2)cc1	ZINC000006419782	462685503	/nfs/dbraw/zinc/68/55/03/462685503.db2.gz	ASOMBNZURVYHFW-UHFFFAOYSA-N	-1	1	348.428	2.262	50	0		EEAAMM
O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(F)cc1F	ZINC000014188858	462917491	/nfs/dbraw/zinc/91/74/91/462917491.db2.gz	KIGMPOOCSPZFMQ-GFCCVEGCSA-N	-1	1	339.367	2.387	50	0		EEAAMM
Cc1ccc(C(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)s1	ZINC000025875615	463141762	/nfs/dbraw/zinc/14/17/62/463141762.db2.gz	QOHFWHGPIREKLU-MRXNPFEDSA-N	-1	1	329.381	2.169	50	0		EEAAMM
COc1ccc2cc([C@H](C(=O)[O-])N3CCN(C(C)=O)CC3)ccc2c1	ZINC000095377116	1215359333	/nfs/dbraw/zinc/35/93/33/1215359333.db2.gz	GNPBXWYUOBIOMI-GOSISDBHSA-N	-1	1	342.395	2.138	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)cc1	ZINC000022514312	212303248	/nfs/dbraw/zinc/30/32/48/212303248.db2.gz	PFKDMWDQKIQSGJ-UHFFFAOYSA-N	-1	1	334.397	2.198	50	0		EEAAMM
O=C([O-])[C@@H]1Cc2nc[nH]c2CN1C(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000055393434	304150747	/nfs/dbraw/zinc/15/07/47/304150747.db2.gz	BPEUVUUJMFIKFU-RTLPCREESA-N	-1	1	343.427	2.354	50	0		EEAAMM
CC(C)N1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCCC[C@H]32)C1=O	ZINC000248015723	258005537	/nfs/dbraw/zinc/00/55/37/258005537.db2.gz	SOQIBDKBEHXXOX-HNAYVOBHSA-N	-1	1	341.411	2.075	50	0		EEAAMM
CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)N(C)O[C@@]1([O-])C(F)(F)F	ZINC000012859679	285891470	/nfs/dbraw/zinc/89/14/70/285891470.db2.gz	ZDDQDAHTCZZNHC-SGMGOOAPSA-N	-1	1	349.305	2.044	50	0		EEAAMM
COc1ccc(-n2nnc(C(=O)[N-]c3ccc(F)c(F)c3F)n2)cc1	ZINC000075163490	462690154	/nfs/dbraw/zinc/69/01/54/462690154.db2.gz	BUFDJKZIJKMGDL-UHFFFAOYSA-N	-1	1	349.272	2.341	50	0		EEAAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccccc2C)n1	ZINC000007419445	462735196	/nfs/dbraw/zinc/73/51/96/462735196.db2.gz	KHFWMULAIBSQOR-UHFFFAOYSA-N	-1	1	337.383	2.387	50	0		EEAAMM
O=C(NCc1ccccc1Cl)c1c([O-])nc2sccn2c1=O	ZINC000016690005	462987109	/nfs/dbraw/zinc/98/71/09/462987109.db2.gz	UBIYYVFLVUXOJF-UHFFFAOYSA-N	-1	1	335.772	2.045	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2nc3c(s2)CCCC3)n1	ZINC000018094108	463005551	/nfs/dbraw/zinc/00/55/51/463005551.db2.gz	CCFQODPAJPKBPB-UHFFFAOYSA-N	-1	1	336.442	2.144	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCc3ccccc32)o1	ZINC000031634325	463348083	/nfs/dbraw/zinc/34/80/83/463348083.db2.gz	HIQUMOQGKDWBMM-CYBMUJFWSA-N	-1	1	348.424	2.038	50	0		EEAAMM
O=C([O-])[C@@H]1Cc2nc[nH]c2CN1C(=O)c1cc2c(s1)CCCCC2	ZINC000299792965	465886268	/nfs/dbraw/zinc/88/62/68/465886268.db2.gz	HPADZFJRVDRKMS-ZDUSSCGKSA-N	-1	1	345.424	2.392	50	0		EEAAMM
CC(=O)N1CCCN([C@@H](C(=O)[O-])c2ccccc2OC(C)C)CC1	ZINC000095356316	1215347444	/nfs/dbraw/zinc/34/74/44/1215347444.db2.gz	ADLRNUDDONCEMR-QGZVFWFLSA-N	-1	1	334.416	2.154	50	0		EEAAMM
CCOc1ccc(NC(=O)CSc2nc3[nH]cnc3c(=O)[n-]2)cc1	ZINC000021807778	212253044	/nfs/dbraw/zinc/25/30/44/212253044.db2.gz	SFAJCKROQQHWLV-UHFFFAOYSA-N	-1	1	345.384	2.188	50	0		EEAAMM
O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000012199955	211319351	/nfs/dbraw/zinc/31/93/51/211319351.db2.gz	MLHFGDSHUQDMHB-UHFFFAOYSA-N	-1	1	348.355	2.280	50	0		EEAAMM
Cc1ccc(CNC(=O)CSc2nc3c(c(=O)[n-]2)CCCC3)cc1	ZINC000011905570	211266797	/nfs/dbraw/zinc/26/67/97/211266797.db2.gz	QZHKYPZBOCQJFN-UHFFFAOYSA-N	-1	1	343.452	2.366	50	0		EEAAMM
COc1cccc(CCNC(=O)c2cnc(C(C)(C)C)[n-]c2=O)c1	ZINC000091893992	218084444	/nfs/dbraw/zinc/08/44/44/218084444.db2.gz	FLUCKOKEQBGOGW-UHFFFAOYSA-N	-1	1	329.400	2.049	50	0		EEAAMM
CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccco1	ZINC000010089066	211146896	/nfs/dbraw/zinc/14/68/96/211146896.db2.gz	IMZPAZBGWUDOKK-LBPRGKRZSA-N	-1	1	330.356	2.139	50	0		EEAAMM
CC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1	ZINC000008976874	211025842	/nfs/dbraw/zinc/02/58/42/211025842.db2.gz	NOHDWEBSPJJFPU-UHFFFAOYSA-N	-1	1	330.409	2.392	50	0		EEAAMM
CC[C@]1(C)Cc2c(sc3c2c(=O)n(C)c2nnc([S-])n32)CO1	ZINC000005686591	462666467	/nfs/dbraw/zinc/66/64/67/462666467.db2.gz	IYGJEADDELNMLR-CQSZACIVSA-N	-1	1	336.442	2.173	50	0		EEAAMM
CCN(CC)S(=O)(=O)c1cccc(-c2n[n-]c(=S)n2C)c1	ZINC000006173357	462677997	/nfs/dbraw/zinc/67/79/97/462677997.db2.gz	PZJDIELBRRRAGY-UHFFFAOYSA-N	-1	1	326.447	2.175	50	0		EEAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1F	ZINC000006873565	462709370	/nfs/dbraw/zinc/70/93/70/462709370.db2.gz	NJWIVYHNCSFBJK-UHFFFAOYSA-N	-1	1	336.344	2.266	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)o1	ZINC000032969045	463405776	/nfs/dbraw/zinc/40/57/76/463405776.db2.gz	RUGRQUZTJXQPHN-CQSZACIVSA-N	-1	1	348.424	2.337	50	0		EEAAMM
Cc1ccc(Br)cc1C(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000124321306	463409747	/nfs/dbraw/zinc/40/97/47/463409747.db2.gz	ABQIFMVZIOXXJK-VIFPVBQESA-N	-1	1	338.209	2.146	50	0		EEAAMM
Cc1ccc(CSc2ncc(CN3CCOCC3)c(=O)[n-]2)cc1	ZINC000043804344	463657004	/nfs/dbraw/zinc/65/70/04/463657004.db2.gz	FKDRENMRGGWIHA-UHFFFAOYSA-N	-1	1	331.441	2.203	50	0		EEAAMM
Cc1ccc(-c2nc(NCc3nn[n-]n3)ncc2-c2cncnc2)cc1	ZINC000065526815	1202246230	/nfs/dbraw/zinc/24/62/30/1202246230.db2.gz	QKFQXCSBNIGXQS-UHFFFAOYSA-N	-1	1	345.370	2.034	50	0		EEAAMM
COc1cc(C)c(NC(=O)CSc2nc(C)cc(=O)[n-]2)cc1C	ZINC000004385877	210184804	/nfs/dbraw/zinc/18/48/04/210184804.db2.gz	QUKFAHLBAPSCCA-UHFFFAOYSA-N	-1	1	333.413	2.435	50	0		EEAAMM
O=C(Cc1ccccc1)Nc1nn2c([n-]1)nc(-c1ccccc1)cc2=O	ZINC000101014528	219113553	/nfs/dbraw/zinc/11/35/53/219113553.db2.gz	UCQBTAVBPZYXAM-UHFFFAOYSA-N	-1	1	345.362	2.266	50	0		EEAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc3nnc(C)n3c2)cc1	ZINC000067172413	215120675	/nfs/dbraw/zinc/12/06/75/215120675.db2.gz	MPSLWTUMPOQQRR-UHFFFAOYSA-N	-1	1	332.385	2.237	50	0		EEAAMM
Cc1noc(C)c1CN1CCC(Oc2ccc(C)nc2)(C(=O)[O-])CC1	ZINC000072432590	216227490	/nfs/dbraw/zinc/22/74/90/216227490.db2.gz	YPHTYKOOINSFLN-UHFFFAOYSA-N	-1	1	345.399	2.493	50	0		EEAAMM
O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)NC1CC1	ZINC000023138380	212353821	/nfs/dbraw/zinc/35/38/21/212353821.db2.gz	QJMKNCXMHHYBGC-UHFFFAOYSA-N	-1	1	333.388	2.435	50	0		EEAAMM
O=C([O-])[C@@H]1c2[nH]cnc2CCN1C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000095358494	304162405	/nfs/dbraw/zinc/16/24/05/304162405.db2.gz	XNRLDPZAACNPTO-AWEZNQCLSA-N	-1	1	345.786	2.305	50	0		EEAAMM
CC(C)(C)c1cc(C(=O)NCC2CCOCC2)[n-]c2n[nH]c(=O)c1-2	ZINC000079479238	217230639	/nfs/dbraw/zinc/23/06/39/217230639.db2.gz	KJIJMCZTNIDJFB-UHFFFAOYSA-N	-1	1	332.404	2.117	50	0		EEAAMM
CCc1cccc(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)c1	ZINC000009610365	211106980	/nfs/dbraw/zinc/10/69/80/211106980.db2.gz	GGBPWMKUYQRHFV-UHFFFAOYSA-N	-1	1	325.372	2.272	50	0		EEAAMM
O=C([O-])[C@@H](/C=C/c1ccccc1)N1CCN(Cc2ccccn2)CC1	ZINC000095353731	218286993	/nfs/dbraw/zinc/28/69/93/218286993.db2.gz	NGEAOSCCSKCCPJ-JBVUFVISSA-N	-1	1	337.423	2.366	50	0		EEAAMM
CN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)CC1	ZINC000000386743	462559527	/nfs/dbraw/zinc/55/95/27/462559527.db2.gz	GQRHVDKTEXRZOE-SJORKVTESA-N	-1	1	345.443	2.268	50	0		EEAAMM
COC(=O)c1sc2[n-]c(COCC(F)(F)F)nc(=O)c2c1C	ZINC000012892983	462874249	/nfs/dbraw/zinc/87/42/49/462874249.db2.gz	RQAQUHAQNGVJSV-UHFFFAOYSA-N	-1	1	336.291	2.159	50	0		EEAAMM
Cc1cc(C(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)o1	ZINC000025875676	463143398	/nfs/dbraw/zinc/14/33/98/463143398.db2.gz	CITFCBYEVDKMNH-QGZVFWFLSA-N	-1	1	327.340	2.008	50	0		EEAAMM
COC(=O)C[C@@H](c1ccc(F)cc1)c1c([O-])nc2ccccn2c1=O	ZINC000205974451	536313515	/nfs/dbraw/zinc/31/35/15/536313515.db2.gz	PILUFIMZFLYZQS-ZDUSSCGKSA-N	-1	1	342.326	2.234	50	0		EEAAMM
Cn1cnc2cc(C(=O)Nc3ccc(Oc4nnn[n-]4)cc3)ccc21	ZINC000828168757	800617807	/nfs/dbraw/zinc/61/78/07/800617807.db2.gz	MYDGVKHKNZYKDA-UHFFFAOYSA-N	-1	1	335.327	2.131	50	0		EEAAMM
Cn1cnc2cc(C(=O)Nc3ccc(Oc4nn[n-]n4)cc3)ccc21	ZINC000828168757	800617813	/nfs/dbraw/zinc/61/78/13/800617813.db2.gz	MYDGVKHKNZYKDA-UHFFFAOYSA-N	-1	1	335.327	2.131	50	0		EEAAMM
O=C(Cc1ccccc1)N[C@H](C(Cl)(Cl)Cl)[P@@](=O)([O-])O	ZINC000022204166	212282462	/nfs/dbraw/zinc/28/24/62/212282462.db2.gz	VXXWHVKAELREBD-VIFPVBQESA-N	-1	1	346.534	2.219	50	0		EEAAMM
O=C([O-])[C@H]1Cc2nc[nH]c2CN1C(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000055393433	304205455	/nfs/dbraw/zinc/20/54/55/304205455.db2.gz	BPEUVUUJMFIKFU-FVTZREDMSA-N	-1	1	343.427	2.354	50	0		EEAAMM
CC(C)N1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCCC[C@H]32)C1=O	ZINC000248015727	258005513	/nfs/dbraw/zinc/00/55/13/258005513.db2.gz	SOQIBDKBEHXXOX-KXBFYZLASA-N	-1	1	341.411	2.075	50	0		EEAAMM
CCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]C)o1	ZINC000032941045	258059125	/nfs/dbraw/zinc/05/91/25/258059125.db2.gz	AOSSVHJSRHFTDD-UHFFFAOYSA-N	-1	1	336.413	2.240	50	0		EEAAMM
CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000035323666	285891481	/nfs/dbraw/zinc/89/14/81/285891481.db2.gz	LEZXGXIDEPLCAG-QIIPPGSGSA-N	-1	1	330.384	2.042	50	0		EEAAMM
COc1ccc(C(=O)[N-]C(=O)CSc2nnc(C(C)C)o2)cc1	ZINC000008753360	462795170	/nfs/dbraw/zinc/79/51/70/462795170.db2.gz	ZKDZHBBFVRVFGM-UHFFFAOYSA-N	-1	1	335.385	2.250	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)N[C@@H]2CCCc3ccccc32)n1	ZINC000013638244	462898743	/nfs/dbraw/zinc/89/87/43/462898743.db2.gz	GSPBROIEMCOKII-CQSZACIVSA-N	-1	1	329.425	2.364	50	0		EEAAMM
CCSc1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2C(=O)[O-])s1	ZINC000096160071	463190596	/nfs/dbraw/zinc/19/05/96/463190596.db2.gz	YWXDBBUWUZLZFP-GFCCVEGCSA-N	-1	1	337.426	2.407	50	0		EEAAMM
Cc1ccc(Br)cc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000124321072	463409844	/nfs/dbraw/zinc/40/98/44/463409844.db2.gz	ABQIFMVZIOXXJK-SECBINFHSA-N	-1	1	338.209	2.146	50	0		EEAAMM
C[C@@H]1CCc2n[nH]c(C(=O)NCCOc3cccc(C(=O)[O-])c3)c2C1	ZINC000252485099	464962180	/nfs/dbraw/zinc/96/21/80/464962180.db2.gz	GNLXPMWBOSHMFL-LLVKDONJSA-N	-1	1	343.383	2.042	50	0		EEAAMM
O=C([O-])[C@H]1Cc2nc[nH]c2CN1C(=O)c1cc2c(s1)CCCCC2	ZINC000299792964	465887005	/nfs/dbraw/zinc/88/70/05/465887005.db2.gz	HPADZFJRVDRKMS-CYBMUJFWSA-N	-1	1	345.424	2.392	50	0		EEAAMM
CC1(C)CN(C(=O)Cc2cc(=O)[n-][nH]c2=O)C[C@@H]1c1ccccc1	ZINC000426512376	535334629	/nfs/dbraw/zinc/33/46/29/535334629.db2.gz	YAIGEFKROIRESP-CQSZACIVSA-N	-1	1	327.384	2.083	50	0		EEAAMM
Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000004512152	210209738	/nfs/dbraw/zinc/20/97/38/210209738.db2.gz	ARJXKQPTSADKFD-UHFFFAOYSA-N	-1	1	336.344	2.266	50	0		EEAAMM
CC1(C)CC(=O)C(C(=O)CCn2c(=O)oc3ccccc32)=C([O-])C1	ZINC000102448972	219204163	/nfs/dbraw/zinc/20/41/63/219204163.db2.gz	VSJLUTXURHVVCW-UHFFFAOYSA-N	-1	1	329.352	2.128	50	0		EEAAMM
Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N(C)C)c1	ZINC000035479719	213032774	/nfs/dbraw/zinc/03/27/74/213032774.db2.gz	MJGDSMKLKRRUTF-UHFFFAOYSA-N	-1	1	349.412	2.263	50	0		EEAAMM
CN(CCC[C@H]1CCCO1)C(=O)c1cnc(-c2ccccn2)[n-]c1=O	ZINC000091586052	218025867	/nfs/dbraw/zinc/02/58/67/218025867.db2.gz	YVSRKSCMKUBAJH-ZDUSSCGKSA-N	-1	1	342.399	2.275	50	0		EEAAMM
Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000091986730	218099026	/nfs/dbraw/zinc/09/90/26/218099026.db2.gz	MTJMOSGHZAHNOV-CYBMUJFWSA-N	-1	1	328.372	2.229	50	0		EEAAMM
Cc1cccn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c([O-])nc12	ZINC000009830128	211125397	/nfs/dbraw/zinc/12/53/97/211125397.db2.gz	JLKLUHRYLFFLKH-UHFFFAOYSA-N	-1	1	343.770	2.292	50	0		EEAAMM
COCC[C@]1(C(=O)[O-])CCCN(c2cc(C)nc(N3CCCC3)n2)C1	ZINC000091943089	292728480	/nfs/dbraw/zinc/72/84/80/292728480.db2.gz	NCFSIWNMYWOTRK-GOSISDBHSA-N	-1	1	348.447	2.093	50	0		EEAAMM
CCN(CC)S(=O)(=O)c1csc(C(=O)[N-]c2ccon2)c1	ZINC000006680425	462697234	/nfs/dbraw/zinc/69/72/34/462697234.db2.gz	CJJQTTYVTZHPJG-UHFFFAOYSA-N	-1	1	329.403	2.019	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)N(C)Cc2ccc(C)o2)n1	ZINC000008204649	462773254	/nfs/dbraw/zinc/77/32/54/462773254.db2.gz	YKEIFLVAMOTUBU-UHFFFAOYSA-N	-1	1	335.429	2.375	50	0		EEAAMM
CCS(=O)(=O)N1CCC[C@H](c2n[n-]c(=S)n2CC(C)C)C1	ZINC000013322709	462890675	/nfs/dbraw/zinc/89/06/75/462890675.db2.gz	UGYJWNDEEOHINJ-NSHDSACASA-N	-1	1	332.495	2.126	50	0		EEAAMM
COc1cc(C(=O)Nc2ccn(C)n2)cc(Br)c1[O-]	ZINC000024472626	463087540	/nfs/dbraw/zinc/08/75/40/463087540.db2.gz	CIBODCHVMSKXLI-UHFFFAOYSA-N	-1	1	326.150	2.149	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)o1	ZINC000031484308	463341957	/nfs/dbraw/zinc/34/19/57/463341957.db2.gz	WHOWNNGALJCFIW-SECBINFHSA-N	-1	1	342.804	2.332	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccccc2)o1	ZINC000032922508	463402427	/nfs/dbraw/zinc/40/24/27/463402427.db2.gz	MPRYFEZYTHFXDZ-ZDUSSCGKSA-N	-1	1	334.397	2.165	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1cccc2ncccc21	ZINC000036579881	213100218	/nfs/dbraw/zinc/10/02/18/213100218.db2.gz	SSSARAFIYPCRIX-UHFFFAOYSA-N	-1	1	348.366	2.258	50	0		EEAAMM
CCOC(=O)C(=O)[N-]c1onc(-c2ccccc2)c1C(=O)OCC	ZINC000035475892	213031482	/nfs/dbraw/zinc/03/14/82/213031482.db2.gz	ZSGIHWHXBVUYBK-UHFFFAOYSA-N	-1	1	332.312	2.020	50	0		EEAAMM
CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000022514348	212303019	/nfs/dbraw/zinc/30/30/19/212303019.db2.gz	UAZULZIQZXJDQS-UHFFFAOYSA-N	-1	1	340.351	2.467	50	0		EEAAMM
CN(C)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccco1	ZINC000010089071	211147590	/nfs/dbraw/zinc/14/75/90/211147590.db2.gz	IMZPAZBGWUDOKK-GFCCVEGCSA-N	-1	1	330.356	2.139	50	0		EEAAMM
Cc1nc(CCNc2nc(N)nc(C)c2CCC(=O)[O-])sc1C	ZINC000095367122	218299620	/nfs/dbraw/zinc/29/96/20/218299620.db2.gz	DMHLLSGOULCCNF-UHFFFAOYSA-N	-1	1	335.433	2.112	50	0		EEAAMM
COc1cccc(NCc2nn(Cc3cccc(F)c3)c(=O)[n-]2)c1	ZINC000061721088	462596856	/nfs/dbraw/zinc/59/68/56/462596856.db2.gz	RBFVDEJLEYYCCF-UHFFFAOYSA-N	-1	1	328.347	2.380	50	0		EEAAMM
COc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(OC)c1	ZINC000007057272	462719918	/nfs/dbraw/zinc/71/99/18/462719918.db2.gz	VDRZEOOLPYWHIB-UHFFFAOYSA-N	-1	1	337.353	2.203	50	0		EEAAMM
Cc1cc(NC(=O)CC(C)(C)C)n(-c2nc3c(c(=O)[n-]2)CCC3)n1	ZINC000007422389	462734410	/nfs/dbraw/zinc/73/44/10/462734410.db2.gz	PPKSTYNHDSDMNN-UHFFFAOYSA-N	-1	1	329.404	2.127	50	0		EEAAMM
CCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1	ZINC000012952696	462878519	/nfs/dbraw/zinc/87/85/19/462878519.db2.gz	FSOSIANKSWAMHV-SNVBAGLBSA-N	-1	1	341.205	2.178	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)N[C@H]2CCCc3ccccc32)n1	ZINC000013638246	462898186	/nfs/dbraw/zinc/89/81/86/462898186.db2.gz	GSPBROIEMCOKII-AWEZNQCLSA-N	-1	1	329.425	2.364	50	0		EEAAMM
COc1cc(NC(=O)NCc2ccccc2)ccc1[N-]S(C)(=O)=O	ZINC000031725919	463351666	/nfs/dbraw/zinc/35/16/66/463351666.db2.gz	ZRAYCXPBYJOHSM-UHFFFAOYSA-N	-1	1	349.412	2.388	50	0		EEAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCc1ccccn1	ZINC000004000378	210098539	/nfs/dbraw/zinc/09/85/39/210098539.db2.gz	ZYNYLIPWKYIYBV-UHFFFAOYSA-N	-1	1	338.363	2.451	50	0	biogenic	EEAAMM
O=C([O-])Cn1ccc([C@H]2CCC[N@@H+](Cc3ccccc3C(=O)[O-])C2)n1	ZINC000426396327	241276995	/nfs/dbraw/zinc/27/69/95/241276995.db2.gz	ASHAFMZYNUERLJ-AWEZNQCLSA-N	-1	1	343.383	2.046	50	0		EEAAMM
COc1ccc2[nH]cc([C@H](C(=O)[O-])[N@H+]3CCC[C@@H](C(=O)[O-])C3)c2c1	ZINC000020716952	212163108	/nfs/dbraw/zinc/16/31/08/212163108.db2.gz	ASXQOVJPTHXCIW-MEBBXXQBSA-N	-1	1	332.356	2.099	50	0		EEAAMM
CCONC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000008777143	211005354	/nfs/dbraw/zinc/00/53/54/211005354.db2.gz	RWRCSBYSDSIGEK-UHFFFAOYSA-N	-1	1	334.397	2.477	50	0		EEAAMM
COc1cn(-c2ccc(F)cc2)nc1C(=O)[N-]c1nnc(C)s1	ZINC000012444045	278071182	/nfs/dbraw/zinc/07/11/82/278071182.db2.gz	HLXTUMIWWLYCJO-UHFFFAOYSA-N	-1	1	333.348	2.432	50	0		EEAAMM
COC(=O)c1cc(NC(=O)c2ccccc2[O-])cc(C(=O)OC)c1	ZINC000001125086	462577893	/nfs/dbraw/zinc/57/78/93/462577893.db2.gz	OFXOIFDWTMBEPV-UHFFFAOYSA-N	-1	1	329.308	2.218	50	0		EEAAMM
O=c1[nH]c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2[nH]1	ZINC000006623468	462693806	/nfs/dbraw/zinc/69/38/06/462693806.db2.gz	CNOPLJVDZWWTIE-UHFFFAOYSA-N	-1	1	341.751	2.450	50	0		EEAAMM
O=C([O-])c1ccnc(-c2ccnc(NCc3n[nH]c4c3CCC4)n2)c1	ZINC000077394617	462979986	/nfs/dbraw/zinc/97/99/86/462979986.db2.gz	GGZNPHBRYXMUNR-UHFFFAOYSA-N	-1	1	336.355	2.061	50	0		EEAAMM
CSc1ncccc1C(=O)Nc1ccc(Oc2nnn[n-]2)cc1	ZINC000824959516	800304488	/nfs/dbraw/zinc/30/44/88/800304488.db2.gz	OMKHYSQDJQOWOC-UHFFFAOYSA-N	-1	1	328.357	2.361	50	0		EEAAMM
CSc1ncccc1C(=O)Nc1ccc(Oc2nn[n-]n2)cc1	ZINC000824959516	800304494	/nfs/dbraw/zinc/30/44/94/800304494.db2.gz	OMKHYSQDJQOWOC-UHFFFAOYSA-N	-1	1	328.357	2.361	50	0		EEAAMM
CCc1n[nH]c2c1CN(Cc1c(OC)cc(OC)cc1C(=O)[O-])CC2	ZINC000097756411	219055041	/nfs/dbraw/zinc/05/50/41/219055041.db2.gz	HWTKRSDRDIYMAA-UHFFFAOYSA-N	-1	1	345.399	2.246	50	0		EEAAMM
CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1	ZINC000003957810	210095244	/nfs/dbraw/zinc/09/52/44/210095244.db2.gz	ZWJOVTUWMMBAGJ-UHFFFAOYSA-N	-1	1	332.381	2.495	50	0		EEAAMM
COC(=O)C1=C(C)Nc2[nH]c(=S)[n-]c(=O)c2[C@@H]1c1ccc(O)cc1	ZINC000102143679	290923279	/nfs/dbraw/zinc/92/32/79/290923279.db2.gz	KPXLIHMFHIDJGW-LLVKDONJSA-N	-1	1	345.380	2.142	50	0		EEAAMM
Cc1cc2nc(C(C)C)cc(N3CCc4[n-][nH]c(=O)c4CC3)n2n1	ZINC000072438189	216232148	/nfs/dbraw/zinc/23/21/48/216232148.db2.gz	DZMSGNCYZLRSCA-UHFFFAOYSA-N	-1	1	326.404	2.195	50	0		EEAAMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)c1	ZINC000022514397	212303055	/nfs/dbraw/zinc/30/30/55/212303055.db2.gz	CXVGNXBVCNKIEW-UHFFFAOYSA-N	-1	1	346.408	2.392	50	0		EEAAMM
CN(CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1cc(C2CC2)[nH]n1	ZINC000244816942	243083869	/nfs/dbraw/zinc/08/38/69/243083869.db2.gz	SROTXJYBUPPIEB-UHFFFAOYSA-N	-1	1	328.372	2.056	50	0		EEAAMM
COCc1nc([C@H]2C[C@@H](NC(=O)Cc3ccccc3F)C2)cc(=O)[n-]1	ZINC000253535114	244007839	/nfs/dbraw/zinc/00/78/39/244007839.db2.gz	ICMMBERCZBPBGQ-BETUJISGSA-N	-1	1	345.374	2.073	50	0		EEAAMM
O=C(Nn1c(=S)[n-]c2ccccc2c1=O)c1ccc2c(c1)OCO2	ZINC000017071369	211952011	/nfs/dbraw/zinc/95/20/11/211952011.db2.gz	PLTPPTMZOFNQTG-UHFFFAOYSA-N	-1	1	341.348	2.172	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccc(C(C)C)cc1	ZINC000012389086	211364780	/nfs/dbraw/zinc/36/47/80/211364780.db2.gz	LDBDHVLUDZILLB-UHFFFAOYSA-N	-1	1	339.399	2.421	50	0		EEAAMM
CCCn1c(=O)cc([O-])nc1SCC(=O)N1CCc2ccccc21	ZINC000009441913	211084002	/nfs/dbraw/zinc/08/40/02/211084002.db2.gz	KOLUXMJCUCLQQX-UHFFFAOYSA-N	-1	1	345.424	2.040	50	0		EEAAMM
Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1C	ZINC000005013486	210360382	/nfs/dbraw/zinc/36/03/82/210360382.db2.gz	CVDLVKUJPQPZQW-UHFFFAOYSA-N	-1	1	345.424	2.295	50	0		EEAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1C	ZINC000004809516	210281998	/nfs/dbraw/zinc/28/19/98/210281998.db2.gz	OZCHLLBJIJDZSV-UHFFFAOYSA-N	-1	1	345.424	2.295	50	0		EEAAMM
CC(C)(C)N1C[C@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)CC1=O	ZINC000299785244	258092297	/nfs/dbraw/zinc/09/22/97/258092297.db2.gz	YHJXVWZRFPHKFK-LBPRGKRZSA-N	-1	1	338.835	2.351	50	0		EEAAMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000121914689	302559590	/nfs/dbraw/zinc/55/95/90/302559590.db2.gz	XUNRRJFIQDDOGF-BFUOFWGJSA-N	-1	1	347.459	2.143	50	0		EEAAMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1	ZINC000001395174	462581144	/nfs/dbraw/zinc/58/11/44/462581144.db2.gz	VEMGCIUNDVAVEA-UHFFFAOYSA-N	-1	1	330.369	2.322	50	0		EEAAMM
CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)N(C)O[C@]1([O-])C(F)(F)F	ZINC000004040117	462626306	/nfs/dbraw/zinc/62/63/06/462626306.db2.gz	ZDDQDAHTCZZNHC-SCRDCRAPSA-N	-1	1	349.305	2.044	50	0		EEAAMM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1	ZINC000005681370	462666332	/nfs/dbraw/zinc/66/63/32/462666332.db2.gz	DTADFLCHZJTCTD-UHFFFAOYSA-N	-1	1	332.381	2.097	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCC(=O)NCc2ccccc2OC)n1	ZINC000015910247	462965432	/nfs/dbraw/zinc/96/54/32/462965432.db2.gz	ZSYUCCKFYGSZJH-UHFFFAOYSA-N	-1	1	347.440	2.140	50	0		EEAAMM
Cn1c(=O)c2c3c(sc2nc1SCc1cc(=O)[nH][n-]1)CCC3	ZINC000016624072	462984974	/nfs/dbraw/zinc/98/49/74/462984974.db2.gz	AEKKXHYTIPCLGO-UHFFFAOYSA-N	-1	1	334.426	2.205	50	0		EEAAMM
O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cc3c2N1CCC3	ZINC000004570156	210223684	/nfs/dbraw/zinc/22/36/84/210223684.db2.gz	XAOSPMAQTKUILB-UHFFFAOYSA-N	-1	1	346.383	2.462	50	0		EEAAMM
NC(=O)c1ccc(CNC(=O)c2cc(Br)ccc2[O-])cc1	ZINC000036728118	213114694	/nfs/dbraw/zinc/11/46/94/213114694.db2.gz	TXUMBUJCZMGLNY-UHFFFAOYSA-N	-1	1	349.184	2.184	50	0		EEAAMM
CC(C)(O)CCc1ccc(C(=O)N2CCc3[n-][nH]c(=O)c3CC2)cc1	ZINC000072418326	216206395	/nfs/dbraw/zinc/20/63/95/216206395.db2.gz	HIONICGXFAUDTN-UHFFFAOYSA-N	-1	1	343.427	2.060	50	0		EEAAMM
O=C([O-])c1cccc(CN(Cc2cccnc2)C[C@@H]2CCC(=O)N2)c1	ZINC000244875008	243095874	/nfs/dbraw/zinc/09/58/74/243095874.db2.gz	XKZNTQWGRXWOIS-KRWDZBQOSA-N	-1	1	339.395	2.061	50	0		EEAAMM
Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2cccs2)n1	ZINC000012123627	211300463	/nfs/dbraw/zinc/30/04/63/211300463.db2.gz	HQGXVTGBTPYTQB-UHFFFAOYSA-N	-1	1	341.396	2.455	50	0		EEAAMM
CCCCCCC(=O)c1c(=O)[nH]c(=O)n(-c2ccccc2OC)c1[O-]	ZINC000008830523	211009039	/nfs/dbraw/zinc/00/90/39/211009039.db2.gz	VFLKWGFITZPEHO-UHFFFAOYSA-N	-1	1	346.383	2.393	50	0		EEAAMM
Cc1nc2[n-]c(NC(=O)c3cccc4ccccc43)nn2c(=O)c1C	ZINC000004732892	280185369	/nfs/dbraw/zinc/18/53/69/280185369.db2.gz	UZHPUTUWIFPENI-UHFFFAOYSA-N	-1	1	333.351	2.440	50	0		EEAAMM
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2C(=O)[O-])c1	ZINC000000147861	462543506	/nfs/dbraw/zinc/54/35/06/462543506.db2.gz	MCLJSACVAAMWLY-UHFFFAOYSA-N	-1	1	349.364	2.136	50	0		EEAAMM
CN1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)CC1	ZINC000000386740	462558332	/nfs/dbraw/zinc/55/83/32/462558332.db2.gz	GQRHVDKTEXRZOE-DLBZAZTESA-N	-1	1	345.443	2.268	50	0		EEAAMM
COc1ccc(C[C@@H](C(=O)Nc2ccccc2C)c2nn[n-]n2)cc1	ZINC000000418753	462560350	/nfs/dbraw/zinc/56/03/50/462560350.db2.gz	JRRYRNHZDIUCNE-OAHLLOKOSA-N	-1	1	337.383	2.482	50	0		EEAAMM
CC[C@@]1(C)Cc2c(sc3c2c(=O)n(C)c2nnc([S-])n32)CO1	ZINC000005686630	462666738	/nfs/dbraw/zinc/66/67/38/462666738.db2.gz	IYGJEADDELNMLR-AWEZNQCLSA-N	-1	1	336.442	2.173	50	0		EEAAMM
COc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c1	ZINC000006553255	462689724	/nfs/dbraw/zinc/68/97/24/462689724.db2.gz	QVMALPWGLXUSLV-UHFFFAOYSA-N	-1	1	336.394	2.399	50	0		EEAAMM
COc1cc(Cl)c([N-]S(=O)(=O)c2c(C)n[nH]c2C)cc1OC	ZINC000012763313	462866846	/nfs/dbraw/zinc/86/68/46/462866846.db2.gz	OTICNDGRKRQOAC-UHFFFAOYSA-N	-1	1	345.808	2.498	50	0		EEAAMM
CCN(CC)C(=O)[C@@H](Sc1nc(N)cc(=O)[n-]1)c1ccccc1	ZINC000012895570	462875054	/nfs/dbraw/zinc/87/50/54/462875054.db2.gz	DTPSOMGZUHEQJB-AWEZNQCLSA-N	-1	1	332.429	2.054	50	0		EEAAMM
Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=C1\NC(=S)[N-]C1=O	ZINC000100147541	463372416	/nfs/dbraw/zinc/37/24/16/463372416.db2.gz	IZGXTSSURDXTDT-SEYXRHQNSA-N	-1	1	339.420	2.253	50	0		EEAAMM
COCCc1noc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])n1	ZINC000220406425	464116140	/nfs/dbraw/zinc/11/61/40/464116140.db2.gz	FPSICIJKZDOEPH-MRVPVSSYSA-N	-1	1	325.752	2.109	50	0		EEAAMM
Cc1ccc(NC(=S)c2c(N)nc(N3CCCC3)[n-]c2=O)c(C)c1	ZINC000040385666	213295446	/nfs/dbraw/zinc/29/54/46/213295446.db2.gz	NSBXDBQGNUIESI-UHFFFAOYSA-N	-1	1	343.456	2.357	50	0		EEAAMM
Cc1cccc(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)c1C	ZINC000036584465	213100381	/nfs/dbraw/zinc/10/03/81/213100381.db2.gz	JPTKGQXJNVBQSA-UHFFFAOYSA-N	-1	1	325.372	2.326	50	0		EEAAMM
CN(C)[C@H](CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)c1cccc(Cl)c1	ZINC000229723348	242193777	/nfs/dbraw/zinc/19/37/77/242193777.db2.gz	JUFLYIZPSNNLCS-MCIONIFRSA-N	-1	1	338.835	2.416	50	0		EEAAMM
CSCC(=O)N1CCc2nc(-c3cccc(C(=O)[O-])c3)[nH]c2C1	ZINC000244893049	243102004	/nfs/dbraw/zinc/10/20/04/243102004.db2.gz	YUKIGDLNQDKLFZ-UHFFFAOYSA-N	-1	1	331.397	2.023	50	0		EEAAMM
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1n[n-]c(=S)n1N	ZINC000016007358	211875318	/nfs/dbraw/zinc/87/53/18/211875318.db2.gz	WDWDHHALZXNALT-LLVKDONJSA-N	-1	1	335.433	2.463	50	0		EEAAMM
Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)C2CC2)[n-]c(=O)c1C	ZINC000012008059	211280413	/nfs/dbraw/zinc/28/04/13/211280413.db2.gz	GETMFKUEANOEHW-UHFFFAOYSA-N	-1	1	339.355	2.181	50	0		EEAAMM
COCc1cc(=O)[n-]c(SCC(=O)Nc2cc(C)cc(C)c2)n1	ZINC000009057317	211036090	/nfs/dbraw/zinc/03/60/90/211036090.db2.gz	HDWHKTASAOHBHT-UHFFFAOYSA-N	-1	1	333.413	2.264	50	0		EEAAMM
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1	ZINC000001165130	462577388	/nfs/dbraw/zinc/57/73/88/462577388.db2.gz	DKDCPKCHUJFJNV-UHFFFAOYSA-N	-1	1	332.381	2.097	50	0		EEAAMM
Cc1c(S(=O)(=O)[N-]c2ccc(Br)cc2F)cnn1C	ZINC000002790882	462603515	/nfs/dbraw/zinc/60/35/15/462603515.db2.gz	BCYRWJBFLADUKX-UHFFFAOYSA-N	-1	1	348.197	2.431	50	0		EEAAMM
COc1c2occc2c(OC)c(C2=NO[C@](O)(C(F)F)C2)c1[O-]	ZINC000005274150	462653540	/nfs/dbraw/zinc/65/35/40/462653540.db2.gz	PIABAYFJKUFCJD-AWEZNQCLSA-N	-1	1	329.255	2.234	50	0		EEAAMM
CSc1nnc(SCC(=O)[N-]C(=O)c2ccccc2)s1	ZINC000006149259	462678456	/nfs/dbraw/zinc/67/84/56/462678456.db2.gz	GWCPVPLXYJSHML-UHFFFAOYSA-N	-1	1	325.440	2.309	50	0		EEAAMM
CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1	ZINC000006316193	462682076	/nfs/dbraw/zinc/68/20/76/462682076.db2.gz	XDNFJASNNYMYIC-UHFFFAOYSA-N	-1	1	332.381	2.050	50	0		EEAAMM
Cc1cccn2c(=O)c(C(=O)NCc3ccccc3Cl)c([O-])nc12	ZINC000008604674	462788950	/nfs/dbraw/zinc/78/89/50/462788950.db2.gz	PYBDKCRMJPDWRX-UHFFFAOYSA-N	-1	1	343.770	2.292	50	0		EEAAMM
O=[P@]([O-])(O)[C@@H](NCc1ccc2c(c1)OCCO2)c1ccsc1	ZINC000012997538	462880540	/nfs/dbraw/zinc/88/05/40/462880540.db2.gz	IHFJTUIITDDSKK-CQSZACIVSA-N	-1	1	341.325	2.485	50	0		EEAAMM
Cc1ccc2c(c1)N=C(CCC(=O)N1CCCCCC1)[N-]S2(=O)=O	ZINC000015726009	462961214	/nfs/dbraw/zinc/96/12/14/462961214.db2.gz	RGHWJLSLDONFLJ-UHFFFAOYSA-N	-1	1	349.456	2.500	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)N2CC[C@H](c3ccccc3F)C2)n1	ZINC000077407564	462980930	/nfs/dbraw/zinc/98/09/30/462980930.db2.gz	PGZCWNIZJBNENO-LBPRGKRZSA-N	-1	1	347.415	2.326	50	0		EEAAMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)c1	ZINC000025694677	463134182	/nfs/dbraw/zinc/13/41/82/463134182.db2.gz	UDQJWPKEPPTASA-UHFFFAOYSA-N	-1	1	346.364	2.021	50	0		EEAAMM
Cc1cccc(NC(=O)CSc2nc3[nH]cnc3c(=O)[n-]2)c1C	ZINC000033027549	463408870	/nfs/dbraw/zinc/40/88/70/463408870.db2.gz	DKDSVSDKEQKUTE-UHFFFAOYSA-N	-1	1	329.385	2.406	50	0		EEAAMM
Cc1cc(F)c([C@@H](C(=O)[O-])N2CCC(C(N)=O)CC2)cc1Cl	ZINC000095362536	1215352960	/nfs/dbraw/zinc/35/29/60/1215352960.db2.gz	JZNSWXPFBHCDQB-ZDUSSCGKSA-N	-1	1	328.771	2.111	50	0		EEAAMM
Cc1nc2cc(CNC(=O)c3nc4ccccc4c(=O)[n-]3)ccc2n1C	ZINC000828215568	800640917	/nfs/dbraw/zinc/64/09/17/800640917.db2.gz	XGLLPSFBTJVMCS-UHFFFAOYSA-N	-1	1	347.378	2.048	50	0		EEAAMM
Cc1nc2[n-]c(NC(=O)C(C)(C)C)nn2c(=O)c1Cc1ccccc1	ZINC000100650715	219103413	/nfs/dbraw/zinc/10/34/13/219103413.db2.gz	SBRWCYIVVPNQGI-UHFFFAOYSA-N	-1	1	339.399	2.301	50	0		EEAAMM
CCOc1ccccc1-c1noc(-c2ccc(S(=O)(=O)[N-]C)o2)n1	ZINC000038489269	213211669	/nfs/dbraw/zinc/21/16/69/213211669.db2.gz	NWMCJIARLXGUJG-UHFFFAOYSA-N	-1	1	349.368	2.303	50	0		EEAAMM
Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccco2)[n-]c(=O)c1C	ZINC000012127270	211299224	/nfs/dbraw/zinc/29/92/24/211299224.db2.gz	UHSUKOCSIQKJCV-UHFFFAOYSA-N	-1	1	339.355	2.295	50	0		EEAAMM
C[C@@H](c1ccon1)N(C)C(=O)c1cnc(-c2ccccn2)[n-]c1=O	ZINC000091425993	218004346	/nfs/dbraw/zinc/00/43/46/218004346.db2.gz	HQSMXELTDYBLFQ-JTQLQIEISA-N	-1	1	325.328	2.065	50	0		EEAAMM
O=C(CSc1nc2c(c(=O)[n-]1)CCC2)NCc1ccc(Cl)cc1	ZINC000011905496	211265879	/nfs/dbraw/zinc/26/58/79/211265879.db2.gz	BDBIZVMYTQREEH-UHFFFAOYSA-N	-1	1	349.843	2.321	50	0		EEAAMM
CN(C)[C@H](C(=O)N(C)CC(=O)c1ccc([O-])cc1)c1ccccc1F	ZINC000091893069	218084752	/nfs/dbraw/zinc/08/47/52/218084752.db2.gz	YBZAGWLHYAKZTO-SFHVURJKSA-N	-1	1	344.386	2.475	50	0		EEAAMM
Cc1c[nH]c(CN(C)C(=O)c2cnc(-c3ccc(C)cc3)[n-]c2=O)n1	ZINC000091895116	218086110	/nfs/dbraw/zinc/08/61/10/218086110.db2.gz	PKCVTUBZRRVDNC-UHFFFAOYSA-N	-1	1	337.383	2.049	50	0		EEAAMM
CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)N(C)O[C@@]1([O-])C(F)(F)F	ZINC000013395028	285945990	/nfs/dbraw/zinc/94/59/90/285945990.db2.gz	ZDDQDAHTCZZNHC-YRGRVCCFSA-N	-1	1	349.305	2.044	50	0		EEAAMM
O=C(Oc1ccc(C=C2NC(=S)[N-]C2=O)cc1)c1ccc(F)cc1	ZINC000000975872	462574322	/nfs/dbraw/zinc/57/43/22/462574322.db2.gz	MPNOFDFKLOZHMX-NTEUORMPSA-N	-1	1	342.351	2.390	50	0		EEAAMM
CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccco2)n1	ZINC000007420529	462734390	/nfs/dbraw/zinc/73/43/90/462734390.db2.gz	QLLFZFBLDGFNTG-UHFFFAOYSA-N	-1	1	327.344	2.062	50	0		EEAAMM
Cc1cc(NC(=O)c2cccc(C)c2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1	ZINC000007422566	462735563	/nfs/dbraw/zinc/73/55/63/462735563.db2.gz	YQULJHOTCCNXBI-UHFFFAOYSA-N	-1	1	349.394	2.313	50	0		EEAAMM
CNc1nnc(SCC(=O)[N-]C(=O)c2ccc(Cl)cc2)s1	ZINC000012976012	462877954	/nfs/dbraw/zinc/87/79/54/462877954.db2.gz	ZOPVZMGYRCXRDV-UHFFFAOYSA-N	-1	1	342.833	2.282	50	0		EEAAMM
CCOC(=O)Cc1cc(=O)[n-]c(Nc2nc3ccccc3s2)n1	ZINC000017857539	463003743	/nfs/dbraw/zinc/00/37/43/463003743.db2.gz	HRXLVVIYSCCUBC-UHFFFAOYSA-N	-1	1	330.369	2.229	50	0		EEAAMM
O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1nnn[n-]1	ZINC000096230791	463222958	/nfs/dbraw/zinc/22/29/58/463222958.db2.gz	OGIMWLNFPJSZNI-LBPRGKRZSA-N	-1	1	330.779	2.467	50	0		EEAAMM
O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1nn[n-]n1	ZINC000096230791	463222961	/nfs/dbraw/zinc/22/29/61/463222961.db2.gz	OGIMWLNFPJSZNI-LBPRGKRZSA-N	-1	1	330.779	2.467	50	0		EEAAMM
COCC[C@H]1CCCCN1C(=O)c1cnc(-c2ccccn2)[n-]c1=O	ZINC000091645796	1369708461	/nfs/dbraw/zinc/70/84/61/1369708461.db2.gz	NPHSOYKOERMFQE-CYBMUJFWSA-N	-1	1	342.399	2.275	50	0		EEAAMM
CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)n[n-]c1=S	ZINC000019925836	202026672	/nfs/dbraw/zinc/02/66/72/202026672.db2.gz	PGFFUFIHPTWUPH-UHFFFAOYSA-N	-1	1	326.447	2.235	50	0		EEAAMM
COc1ccc(F)c(CN2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)c1	ZINC000426563493	241310950	/nfs/dbraw/zinc/31/09/50/241310950.db2.gz	XGMKZMURMASJTI-CYBMUJFWSA-N	-1	1	347.390	2.495	50	0		EEAAMM
COc1ccccc1C[C@@H](C(=O)Nc1ccccc1F)c1nn[n-]n1	ZINC000000418781	278050576	/nfs/dbraw/zinc/05/05/76/278050576.db2.gz	MBXHMANDBPISSR-GFCCVEGCSA-N	-1	1	341.346	2.312	50	0		EEAAMM
CN1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)CC1	ZINC000000386742	462559467	/nfs/dbraw/zinc/55/94/67/462559467.db2.gz	GQRHVDKTEXRZOE-IRXDYDNUSA-N	-1	1	345.443	2.268	50	0		EEAAMM
COc1ccc(C[C@@H](C(=O)Nc2ccccc2F)c2nn[n-]n2)cc1	ZINC000000418757	462560588	/nfs/dbraw/zinc/56/05/88/462560588.db2.gz	UMARBLHQODLCMC-CYBMUJFWSA-N	-1	1	341.346	2.312	50	0		EEAAMM
CC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCC3)c1	ZINC000005054697	462645080	/nfs/dbraw/zinc/64/50/80/462645080.db2.gz	FMYOZONYBRABKZ-UHFFFAOYSA-N	-1	1	343.408	2.192	50	0		EEAAMM
CCOCCCNC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1	ZINC000014249931	462921485	/nfs/dbraw/zinc/92/14/85/462921485.db2.gz	BFKSMQZNIXEUSH-UHFFFAOYSA-N	-1	1	334.445	2.459	50	0		EEAAMM
CCc1nnc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cn21	ZINC000067172412	462974032	/nfs/dbraw/zinc/97/40/32/462974032.db2.gz	TUJLDODZXXRUOK-UHFFFAOYSA-N	-1	1	332.385	2.101	50	0		EEAAMM
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1C	ZINC000095473595	463092325	/nfs/dbraw/zinc/09/23/25/463092325.db2.gz	XLEHECHCKFNXHT-UHFFFAOYSA-N	-1	1	345.281	2.197	50	0		EEAAMM
Cn1c([O-])c(C2=NN[C@@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=S	ZINC000101495061	463378518	/nfs/dbraw/zinc/37/85/18/463378518.db2.gz	WTMBSDUKEKTDGQ-SECBINFHSA-N	-1	1	336.804	2.241	50	0		EEAAMM
COC(=O)C[C@@H](c1cccs1)c1c([O-])nc2ccccn2c1=O	ZINC000205969527	536313159	/nfs/dbraw/zinc/31/31/59/536313159.db2.gz	UFKOWUGPDLEZFE-JTQLQIEISA-N	-1	1	330.365	2.157	50	0		EEAAMM
O=C([O-])c1ccc(C[C@H]2CCN(C(=O)CN3CCCCC3)C2)cc1	ZINC000072427383	1253493779	/nfs/dbraw/zinc/49/37/79/1253493779.db2.gz	JMYUNIHUURGDRN-MRXNPFEDSA-N	-1	1	330.428	2.262	50	0		EEAAMM
COc1cc(NC(=O)c2ccccc2F)ccc1[N-]S(C)(=O)=O	ZINC000029967797	202192269	/nfs/dbraw/zinc/19/22/69/202192269.db2.gz	KNZMGPZOKKRXLI-UHFFFAOYSA-N	-1	1	338.360	2.458	50	0		EEAAMM
O=C(c1cnc(C2CC2)[n-]c1=O)N1CCO[C@H](c2ccc(F)cc2)C1	ZINC000426404102	241279332	/nfs/dbraw/zinc/27/93/32/241279332.db2.gz	BXRZGQPJAGAMJA-HNNXBMFYSA-N	-1	1	343.358	2.412	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccc2cc[nH]c2c1	ZINC000105819584	204164435	/nfs/dbraw/zinc/16/44/35/204164435.db2.gz	MEVRBZDVMIRGEV-UHFFFAOYSA-N	-1	1	336.355	2.191	50	0		EEAAMM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(F)c1	ZINC000013358836	207382520	/nfs/dbraw/zinc/38/25/20/207382520.db2.gz	MVIOWTMBJJIWMS-UHFFFAOYSA-N	-1	1	343.307	2.472	50	0		EEAAMM
COCCc1noc([C@@H](C)NC(=O)Cc2ccc([O-])c(Cl)c2)n1	ZINC000299758779	258076380	/nfs/dbraw/zinc/07/63/80/258076380.db2.gz	PJCCSGCBSIMJOL-SECBINFHSA-N	-1	1	339.779	2.037	50	0		EEAAMM
Cc1cc(NC(=O)CCC2CCCC2)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000007418691	462734720	/nfs/dbraw/zinc/73/47/20/462734720.db2.gz	WVBOBSIDFGBLDT-UHFFFAOYSA-N	-1	1	329.404	2.481	50	0		EEAAMM
COc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCCC3)cc1	ZINC000012176698	462845096	/nfs/dbraw/zinc/84/50/96/462845096.db2.gz	MGILPUQLUZMULV-UHFFFAOYSA-N	-1	1	345.424	2.388	50	0		EEAAMM
O=C(Nc1nn2c([n-]1)nc(-c1ccccc1)cc2=O)c1cccnc1	ZINC000020463249	463027823	/nfs/dbraw/zinc/02/78/23/463027823.db2.gz	GVTXVKMYQQBAHU-UHFFFAOYSA-N	-1	1	332.323	2.144	50	0		EEAAMM
CCn1c([O-])c([C@@H]2c3ccccc3CCN2C(C)=O)c(=O)[nH]c1=S	ZINC000100912148	463375911	/nfs/dbraw/zinc/37/59/11/463375911.db2.gz	GUWMNLIDUGEWGJ-AWEZNQCLSA-N	-1	1	345.424	2.125	50	0		EEAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCCn1cccc1	ZINC000524729795	467639207	/nfs/dbraw/zinc/63/92/07/467639207.db2.gz	JLPBYBLUIDKRJM-UHFFFAOYSA-N	-1	1	340.379	2.358	50	0	biogenic	EEAAMM
CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)C2CC2)n1	ZINC000012125906	1205798335	/nfs/dbraw/zinc/79/83/35/1205798335.db2.gz	VQGOYAYLYHPFKN-UHFFFAOYSA-N	-1	1	327.388	2.305	50	0		EEAAMM
C[C@H](Sc1nc2[nH]cnc2c(=O)[n-]1)C(=O)Nc1ccc(F)cc1	ZINC000033324869	202258355	/nfs/dbraw/zinc/25/83/55/202258355.db2.gz	WDPGJJYIOYILOK-ZETCQYMHSA-N	-1	1	333.348	2.317	50	0		EEAAMM
CCCCc1nc(-c2nccn2[C@H](C)c2n[nH]c(=O)[n-]2)c(Cl)[nH]1	ZINC000071777252	203113636	/nfs/dbraw/zinc/11/36/36/203113636.db2.gz	ZODVWBIDKKXTCB-MRVPVSSYSA-N	-1	1	335.799	2.290	50	0		EEAAMM
Cc1ncc(CN2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)cn1	ZINC000072474040	203230570	/nfs/dbraw/zinc/23/05/70/203230570.db2.gz	BMQYHJLNDIUDNE-UHFFFAOYSA-N	-1	1	343.431	2.181	50	0		EEAAMM
O=C([O-])C1(n2ccnc2)CCN(Cc2nc3c(s2)CCCC3)CC1	ZINC000072474590	203231298	/nfs/dbraw/zinc/23/12/98/203231298.db2.gz	NDVWNCZANMMHOT-UHFFFAOYSA-N	-1	1	346.456	2.294	50	0		EEAAMM
CC(C)(O)CCc1ccc(CN2CCC[C@H]2c2n[nH]c(=O)[n-]2)cc1	ZINC000072406942	203216442	/nfs/dbraw/zinc/21/64/42/203216442.db2.gz	FHHPRAVCQFDWFS-HNNXBMFYSA-N	-1	1	330.432	2.139	50	0		EEAAMM
Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ncccc2[O-])o1	ZINC000127411813	205100054	/nfs/dbraw/zinc/10/00/54/205100054.db2.gz	RBGSYQJNQNPJJO-CQSZACIVSA-N	-1	1	336.351	2.418	50	0		EEAAMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1	ZINC000012536052	207165602	/nfs/dbraw/zinc/16/56/02/207165602.db2.gz	WYUJQEGFAZGNCG-UHFFFAOYSA-N	-1	1	333.365	2.477	50	0		EEAAMM
O=C([O-])c1ccc(COc2ccc(/C=C3/NC(=O)NC3=O)cc2)cc1	ZINC000000073257	462541127	/nfs/dbraw/zinc/54/11/27/462541127.db2.gz	KTGZGMXRDJXCKX-OQLLNIDSSA-N	-1	1	338.319	2.144	50	0		EEAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1	ZINC000000327646	462554724	/nfs/dbraw/zinc/55/47/24/462554724.db2.gz	IGLJCKQAYGGEOU-UHFFFAOYSA-N	-1	1	344.392	2.449	50	0		EEAAMM
COc1ccc(C[C@H](C(=O)Nc2ccccc2C)c2nn[n-]n2)cc1	ZINC000000418752	462560370	/nfs/dbraw/zinc/56/03/70/462560370.db2.gz	JRRYRNHZDIUCNE-HNNXBMFYSA-N	-1	1	337.383	2.482	50	0		EEAAMM
CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)c1n[n-]c(=S)n1C	ZINC000004735871	462636589	/nfs/dbraw/zinc/63/65/89/462636589.db2.gz	NDOWMIJOXWTDJA-LBPRGKRZSA-N	-1	1	334.401	2.333	50	0		EEAAMM
COc1ccc(C[C@H](C(=O)Nc2ccc(C)cc2)c2nn[n-]n2)cc1	ZINC000006556765	462690917	/nfs/dbraw/zinc/69/09/17/462690917.db2.gz	VQFQXTGNWGCRED-INIZCTEOSA-N	-1	1	337.383	2.482	50	0		EEAAMM
COC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000006703185	462698214	/nfs/dbraw/zinc/69/82/14/462698214.db2.gz	UTBUKOHGAOHLEI-CYBMUJFWSA-N	-1	1	348.424	2.252	50	0		EEAAMM
COC(=O)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(N)=O)cc1	ZINC000067298305	462991056	/nfs/dbraw/zinc/99/10/56/462991056.db2.gz	VTYKSASBTSTKJZ-JZJYNLBNSA-N	-1	1	338.319	2.256	50	0		EEAAMM
Cc1sc2c(c1C)c(=O)n(Cc1cccnc1)c1nnc([S-])n21	ZINC000017071689	462994798	/nfs/dbraw/zinc/99/47/98/462994798.db2.gz	ITGCIKVGVQXMMI-UHFFFAOYSA-N	-1	1	343.437	2.455	50	0		EEAAMM
CC1(C)CNC(=O)c2nc(-c3noc(Cc4ccccc4)n3)[n-]c2C1	ZINC000067674162	463035163	/nfs/dbraw/zinc/03/51/63/463035163.db2.gz	SZWDESWUGWAZPV-UHFFFAOYSA-N	-1	1	337.383	2.363	50	0		EEAAMM
CC1(C)CNC(=O)c2[n-]c(-c3noc(Cc4ccccc4)n3)nc2C1	ZINC000067674162	463035167	/nfs/dbraw/zinc/03/51/67/463035167.db2.gz	SZWDESWUGWAZPV-UHFFFAOYSA-N	-1	1	337.383	2.363	50	0		EEAAMM
CC(C)[C@@H](C)n1nccc1NC(=O)c1ccc(-n2cnnn2)cc1[O-]	ZINC000055120440	463287007	/nfs/dbraw/zinc/28/70/07/463287007.db2.gz	WZJMMVPKPJMDNI-LLVKDONJSA-N	-1	1	341.375	2.034	50	0		EEAAMM
O=C1C[C@@H](c2ccncc2)c2c(=O)[n-]c(N3CCCCC3)nc2N1	ZINC000670416127	471719159	/nfs/dbraw/zinc/71/91/59/471719159.db2.gz	OJHYXXLZDFDXCW-LBPRGKRZSA-N	-1	1	325.372	2.042	50	0		EEAAMM
CO[C@@H](C)c1nnc([N-]C(=O)c2csc(CN(C)C)n2)s1	ZINC001529184644	1121360486	/nfs/dbraw/zinc/36/04/86/1121360486.db2.gz	CFKHQVAQSGLJET-ZETCQYMHSA-N	-1	1	327.435	2.016	50	0		EEAAMM
CN1CCN([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)C(=O)[O-])CC1	ZINC000020432436	202042078	/nfs/dbraw/zinc/04/20/78/202042078.db2.gz	DUFAIHGZAFZYTC-INIZCTEOSA-N	-1	1	332.444	2.258	50	0		EEAAMM
CC1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]C3CC3)o2)CC1	ZINC000032833310	202237385	/nfs/dbraw/zinc/23/73/85/202237385.db2.gz	WKLYMDVGIHGRIX-UHFFFAOYSA-N	-1	1	326.418	2.029	50	0		EEAAMM
C[C@@H](NC(=O)CSc1nc2[nH]cnc2c(=O)[n-]1)c1ccccc1	ZINC000033027585	202247267	/nfs/dbraw/zinc/24/72/67/202247267.db2.gz	BBESJQSSAAZEIX-SECBINFHSA-N	-1	1	329.385	2.028	50	0		EEAAMM
O=C(Nc1nn2c([n-]1)nc(-c1ccccc1)cc2=O)c1ccccc1	ZINC000101021852	284416567	/nfs/dbraw/zinc/41/65/67/284416567.db2.gz	BMAZFRWHWZLBOJ-UHFFFAOYSA-N	-1	1	331.335	2.337	50	0		EEAAMM
CN1CCN(c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)CC1	ZINC000000386737	462558064	/nfs/dbraw/zinc/55/80/64/462558064.db2.gz	SFOOBBBUNQDHQD-IAGOWNOFSA-N	-1	1	343.427	2.044	50	0		EEAAMM
O=C(COC(=O)c1ccc2ccccc2n1)[N-]C(=O)c1ccccc1	ZINC000003513690	462622020	/nfs/dbraw/zinc/62/20/20/462622020.db2.gz	QOMXQJIHFCMHGO-UHFFFAOYSA-N	-1	1	334.331	2.348	50	0		EEAAMM
CCOc1ccc(NC(=O)CSc2nc(CC)cc(=O)[n-]2)cc1	ZINC000005154925	462648147	/nfs/dbraw/zinc/64/81/47/462648147.db2.gz	PQZJNBVJQJDZEZ-UHFFFAOYSA-N	-1	1	333.413	2.462	50	0		EEAAMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)c1	ZINC000005482768	462660400	/nfs/dbraw/zinc/66/04/00/462660400.db2.gz	SEKYWTZXVSCHCR-UHFFFAOYSA-N	-1	1	329.385	2.080	50	0		EEAAMM
CSc1nc2ncc(C(=O)c3cc(C)ccc3[O-])cc2c(=O)[nH]1	ZINC000006536266	462688962	/nfs/dbraw/zinc/68/89/62/462688962.db2.gz	XEDQEEBFUTUKFC-UHFFFAOYSA-N	-1	1	327.365	2.285	50	0		EEAAMM
Cc1ccc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)cc1C	ZINC000006859679	462709347	/nfs/dbraw/zinc/70/93/47/462709347.db2.gz	GGPXKAAIVYKJEU-UHFFFAOYSA-N	-1	1	349.437	2.482	50	0		EEAAMM
CC(C)OC(=O)[C@@H]1[C@@H](c2cccc(F)c2)c2c(=O)[nH][n-]c2C[C@]1(C)O	ZINC000012382699	462851746	/nfs/dbraw/zinc/85/17/46/462851746.db2.gz	SWJDUFLBWWEINV-YEWWUXTCSA-N	-1	1	348.374	2.261	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCCN2C(=O)c3ccccc3C2=O)n1	ZINC000013637915	462898237	/nfs/dbraw/zinc/89/82/37/462898237.db2.gz	FTNHOPYLDOJTKD-UHFFFAOYSA-N	-1	1	343.408	2.111	50	0		EEAAMM
CC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)c(=O)[n-]2)cc1	ZINC000017824206	463002460	/nfs/dbraw/zinc/00/24/60/463002460.db2.gz	WKTTYLLRJRFFOB-UHFFFAOYSA-N	-1	1	331.397	2.320	50	0		EEAAMM
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1ccccc1Cl)CC2	ZINC000095384982	463073145	/nfs/dbraw/zinc/07/31/45/463073145.db2.gz	ILEWTOGBPVNZTK-ZDUSSCGKSA-N	-1	1	336.819	2.238	50	0		EEAAMM
CCOC(=O)N1CCC(NC(=O)c2cc(Cl)ccc2[O-])CC1	ZINC000024471212	463085719	/nfs/dbraw/zinc/08/57/19/463085719.db2.gz	CCEQMRUJZPLKHS-UHFFFAOYSA-N	-1	1	326.780	2.396	50	0		EEAAMM
Cc1ccc(OC2(C(=O)[O-])CCN(Cc3cccnc3N)CC2)cc1	ZINC000082161906	463519841	/nfs/dbraw/zinc/51/98/41/463519841.db2.gz	CKVMCTHPPAVWNF-UHFFFAOYSA-N	-1	1	341.411	2.470	50	0		EEAAMM
O=C(COC(=O)c1cc(Br)c[nH]1)c1ccc([O-])cc1O	ZINC000029591459	202189886	/nfs/dbraw/zinc/18/98/86/202189886.db2.gz	LWIKKZOKBZAQFK-UHFFFAOYSA-N	-1	1	340.129	2.228	50	0		EEAAMM
O=C(CSc1nc2[nH]cnc2c(=O)[n-]1)Nc1cccc(Cl)c1	ZINC000033027557	202247555	/nfs/dbraw/zinc/24/75/55/202247555.db2.gz	NIDVMFLBSLPSME-UHFFFAOYSA-N	-1	1	335.776	2.443	50	0		EEAAMM
O=C([O-])c1coc(C[N@H+]2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1	ZINC000095370079	304281632	/nfs/dbraw/zinc/28/16/32/304281632.db2.gz	HQZHEFJGVKCWSU-ZDUSSCGKSA-N	-1	1	330.340	2.451	50	0		EEAAMM
O=S(=O)([N-]c1ccc2c(c1)nc1n2CCOC1)c1ccccc1	ZINC000002352218	462592311	/nfs/dbraw/zinc/59/23/11/462592311.db2.gz	DUXVRAAQXVSRGN-UHFFFAOYSA-N	-1	1	329.381	2.367	50	0		EEAAMM
Cc1ccc(S(=O)(=O)NC([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000003154088	462610958	/nfs/dbraw/zinc/61/09/58/462610958.db2.gz	CGRAHROJPDEZOT-UHFFFAOYSA-N	-1	1	337.241	2.087	50	0		EEAAMM
Cc1ccc(NC=C2C(=O)[N-]C(=S)N(Cc3ccco3)C2=O)cc1	ZINC000006160857	462678355	/nfs/dbraw/zinc/67/83/55/462678355.db2.gz	AZCZOOURMHWUKA-ZROIWOOFSA-N	-1	1	341.392	2.327	50	0		EEAAMM
O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000129408301	462705780	/nfs/dbraw/zinc/70/57/80/462705780.db2.gz	VQCDTQHMEUNIET-JTQLQIEISA-N	-1	1	325.294	2.238	50	0		EEAAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1	ZINC000013113802	462884971	/nfs/dbraw/zinc/88/49/71/462884971.db2.gz	HSQYEAYEKMZYQP-UHFFFAOYSA-N	-1	1	345.211	2.390	50	0		EEAAMM
O=C(NCc1nnc2ccccn21)c1cc(Br)ccc1[O-]	ZINC000014158366	462914853	/nfs/dbraw/zinc/91/48/53/462914853.db2.gz	RIWBNGVWFDBQMR-UHFFFAOYSA-N	-1	1	347.172	2.127	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)N[C@@H](C)CCc2ccccc2)n1	ZINC000015379078	462950394	/nfs/dbraw/zinc/95/03/94/462950394.db2.gz	GYTDFESYGJACKP-LBPRGKRZSA-N	-1	1	331.441	2.308	50	0		EEAAMM
CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1	ZINC000020852332	202055798	/nfs/dbraw/zinc/05/57/98/202055798.db2.gz	ZXDVFOFAJWREDE-UHFFFAOYSA-N	-1	1	345.424	2.240	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2C)o1	ZINC000030568813	202197007	/nfs/dbraw/zinc/19/70/07/202197007.db2.gz	MWVKCCSZOFHXLC-UHFFFAOYSA-N	-1	1	328.777	2.402	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2C)cc1F	ZINC000032602557	202228866	/nfs/dbraw/zinc/22/88/66/202228866.db2.gz	LGVVVOWMGQLGAJ-UHFFFAOYSA-N	-1	1	338.360	2.042	50	0		EEAAMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000002689532	201358637	/nfs/dbraw/zinc/35/86/37/201358637.db2.gz	OUXIULICJJMEKJ-UHFFFAOYSA-N	-1	1	349.364	2.045	50	0		EEAAMM
O=C(c1cc2ccccc2cc1[O-])N1CCN(c2ncccn2)CC1	ZINC000012927476	207264895	/nfs/dbraw/zinc/26/48/95/207264895.db2.gz	HFQATMVBLZSFMD-UHFFFAOYSA-N	-1	1	334.379	2.298	50	0		EEAAMM
Cc1[n-][nH]c(=O)c1CC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1	ZINC000299785432	258092403	/nfs/dbraw/zinc/09/24/03/258092403.db2.gz	ZIRQQKGKIHJTHB-CYBMUJFWSA-N	-1	1	347.390	2.011	50	0		EEAAMM
CC1CCN(c2nc(N)c(C(=S)Nc3ccccc3)c(=O)[n-]2)CC1	ZINC000040385538	132398795	/nfs/dbraw/zinc/39/87/95/132398795.db2.gz	SORQBDIZWRSJMO-UHFFFAOYSA-N	-1	1	343.456	2.376	50	0		EEAAMM
O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccccc1Br	ZINC000000437551	462563861	/nfs/dbraw/zinc/56/38/61/462563861.db2.gz	GGLPIRAPWXIQQY-UHFFFAOYSA-N	-1	1	345.152	2.390	50	0		EEAAMM
COCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010315117	462817567	/nfs/dbraw/zinc/81/75/67/462817567.db2.gz	ZACMNHHJUYMDAR-UHFFFAOYSA-N	-1	1	348.424	2.172	50	0		EEAAMM
Cc1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1C(=O)[O-]	ZINC000065833957	462832477	/nfs/dbraw/zinc/83/24/77/462832477.db2.gz	HPZFGCSIVQEQRA-UHFFFAOYSA-N	-1	1	337.401	2.446	50	0		EEAAMM
Cc1ccc2nc(NC(=O)CCc3n[nH]c(=S)[n-]c3=O)sc2c1	ZINC000011684108	462837248	/nfs/dbraw/zinc/83/72/48/462837248.db2.gz	JSDWHEPYFPZZSW-UHFFFAOYSA-N	-1	1	347.425	2.317	50	0		EEAAMM
CONC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1	ZINC000012630550	462861055	/nfs/dbraw/zinc/86/10/55/462861055.db2.gz	JWRBERKAYYOCSD-UHFFFAOYSA-N	-1	1	334.397	2.395	50	0		EEAAMM
O=C(NCCOCc1ccccc1)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000091270252	462868408	/nfs/dbraw/zinc/86/84/08/462868408.db2.gz	JLFBEPHRUCRYJS-UHFFFAOYSA-N	-1	1	349.390	2.384	50	0		EEAAMM
CCOc1cccc(C(=O)Nn2c(=O)c3ccccc3[n-]c2=S)c1	ZINC000017071386	462994853	/nfs/dbraw/zinc/99/48/53/462994853.db2.gz	LVXVXUFCRZGWSB-UHFFFAOYSA-N	-1	1	341.392	2.468	50	0		EEAAMM
O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(Cl)ccc1[O-]	ZINC000025290300	463116531	/nfs/dbraw/zinc/11/65/31/463116531.db2.gz	ZUKLGPOLBPXGTN-UHFFFAOYSA-N	-1	1	347.802	2.207	50	0		EEAAMM
O=S(=O)([N-]CCO)c1cc(Cl)c(Br)cc1Cl	ZINC000054363409	463230595	/nfs/dbraw/zinc/23/05/95/463230595.db2.gz	PLPKINOEOHIANO-UHFFFAOYSA-N	-1	1	349.033	2.027	50	0		EEAAMM
Cc1cc(=O)[n-]c(S[C@H](C)C(=O)N(C)C2Cc3ccccc3C2)n1	ZINC000220278833	464115043	/nfs/dbraw/zinc/11/50/43/464115043.db2.gz	YNURTBYWTRUPQB-GFCCVEGCSA-N	-1	1	343.452	2.185	50	0		EEAAMM
CC1(C)C[C@](CCNC(=O)Nc2nn[n-]n2)(c2ccccc2)CCO1	ZINC000023505968	202104795	/nfs/dbraw/zinc/10/47/95/202104795.db2.gz	FYICEMSUTPCIOP-QGZVFWFLSA-N	-1	1	344.419	2.238	50	0		EEAAMM
O=S(=O)([N-]C1CC1)c1ccc(-c2nc(-c3ccccc3)no2)o1	ZINC000036352896	202323201	/nfs/dbraw/zinc/32/32/01/202323201.db2.gz	UEMXPDLPPCFORF-UHFFFAOYSA-N	-1	1	331.353	2.437	50	0		EEAAMM
Cc1nc(SCCOc2ccc(Cl)cc2)[n-]c(=O)c1CCO	ZINC000011905774	207019108	/nfs/dbraw/zinc/01/91/08/207019108.db2.gz	BPOPMWIQTTXQND-UHFFFAOYSA-N	-1	1	340.832	2.438	50	0		EEAAMM
CCOC(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)cc(=O)[n-]1	ZINC000012006593	207062554	/nfs/dbraw/zinc/06/25/54/207062554.db2.gz	DDSLTEICQDMBMD-UHFFFAOYSA-N	-1	1	329.316	2.092	50	0		EEAAMM
O=C(NCCCNC(=O)c1ccc(Cl)cc1[O-])c1cccc(O)c1	ZINC000102471708	273944416	/nfs/dbraw/zinc/94/44/16/273944416.db2.gz	GNUBHQPICVQERL-UHFFFAOYSA-N	-1	1	348.786	2.301	50	0		EEAAMM
NC(=O)c1cc2ccc([O-])cc2o/c1=N\c1ccc2c(c1)OCCO2	ZINC000067298292	295174718	/nfs/dbraw/zinc/17/47/18/295174718.db2.gz	BZTZEEIYSRBVFZ-ZZEZOPTASA-N	-1	1	338.319	2.241	50	0		EEAAMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	ZINC000000294381	462553255	/nfs/dbraw/zinc/55/32/55/462553255.db2.gz	QKMCRLJAHIEHHP-UHFFFAOYSA-N	-1	1	347.396	2.404	50	0		EEAAMM
COc1c(Cl)cc(/C=C2/NC(=O)[N-]C2=O)cc1Br	ZINC000000573768	462570930	/nfs/dbraw/zinc/57/09/30/462570930.db2.gz	VCWXSEGMYVVTNS-XBXARRHUSA-N	-1	1	331.553	2.291	50	0		EEAAMM
CCOC(=O)[C@]([N-]c1ccccc1OC)(NC(C)=O)C(F)(F)F	ZINC000003138602	462611498	/nfs/dbraw/zinc/61/14/98/462611498.db2.gz	CJIPONMRAOPELH-CYBMUJFWSA-N	-1	1	334.294	2.065	50	0		EEAAMM
O=C1Cc2cc([N-]S(=O)(=O)c3ccccc3)cc3c2N1CCC3	ZINC000004270415	462630588	/nfs/dbraw/zinc/63/05/88/462630588.db2.gz	PFSVCGAIFGVTRT-UHFFFAOYSA-N	-1	1	328.393	2.323	50	0		EEAAMM
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)cn1C	ZINC000006777873	462704760	/nfs/dbraw/zinc/70/47/60/462704760.db2.gz	GMFIYSDAGGGIGM-UHFFFAOYSA-N	-1	1	338.385	2.011	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(N)=O	ZINC000016623899	462984501	/nfs/dbraw/zinc/98/45/01/462984501.db2.gz	HIUYTDCXVRZLDN-UHFFFAOYSA-N	-1	1	340.788	2.248	50	0		EEAAMM
Cc1nc(N)nc(NC[C@H]2CCc3ccccc3O2)c1CCC(=O)[O-]	ZINC000095370458	463070506	/nfs/dbraw/zinc/07/05/06/463070506.db2.gz	POBUILXTIRPXCI-CYBMUJFWSA-N	-1	1	342.399	2.190	50	0		EEAAMM
COc1ccccc1C(=O)Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000100849776	463375030	/nfs/dbraw/zinc/37/50/30/463375030.db2.gz	YWDVDPKUAYCXPZ-UHFFFAOYSA-N	-1	1	327.365	2.452	50	0		EEAAMM
O=C([O-])c1cccc(-c2nc3c([nH]2)CN(C(=O)C2CCC2)CC3)c1	ZINC000244842341	464463474	/nfs/dbraw/zinc/46/34/74/464463474.db2.gz	UOVGGDYNIMFVOO-UHFFFAOYSA-N	-1	1	325.368	2.460	50	0		EEAAMM
COC(=O)C[C@@H](c1ccccc1F)c1c([O-])nc2ccccn2c1=O	ZINC000205969111	536313460	/nfs/dbraw/zinc/31/34/60/536313460.db2.gz	LNJMNSSPZXEEAR-LBPRGKRZSA-N	-1	1	342.326	2.234	50	0		EEAAMM
O=C1C[C@@H](c2ccncc2)c2c(=O)[n-]c(N3CCCCCC3)nc2N1	ZINC000828323353	1204933016	/nfs/dbraw/zinc/93/30/16/1204933016.db2.gz	MNFITSMDIINDRY-ZDUSSCGKSA-N	-1	1	339.399	2.432	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)o1	ZINC000032969047	202245337	/nfs/dbraw/zinc/24/53/37/202245337.db2.gz	RUGRQUZTJXQPHN-AWEZNQCLSA-N	-1	1	348.424	2.337	50	0		EEAAMM
CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)ccc2F)o1	ZINC000036394035	202324513	/nfs/dbraw/zinc/32/45/13/202324513.db2.gz	OTRSXLJKHVLBDS-UHFFFAOYSA-N	-1	1	330.312	2.060	50	0		EEAAMM
Cc1nc(CCN(C)Cc2cc(Cl)ccc2OCC(=O)[O-])no1	ZINC000299760850	258077994	/nfs/dbraw/zinc/07/79/94/258077994.db2.gz	PSQBGNLZELHURT-UHFFFAOYSA-N	-1	1	339.779	2.169	50	0		EEAAMM
COc1cc(C(=S)N2CCOCC2)cc(Br)c1[O-]	ZINC000000448923	462563215	/nfs/dbraw/zinc/56/32/15/462563215.db2.gz	DOVDVSCTLNRVGO-UHFFFAOYSA-N	-1	1	332.219	2.171	50	0		EEAAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)cc1	ZINC000001428311	462582712	/nfs/dbraw/zinc/58/27/12/462582712.db2.gz	ODRHAMIHJJQPAR-UHFFFAOYSA-N	-1	1	325.411	2.199	50	0		EEAAMM
COc1ccccc1NC(=O)[C@@H](Cc1cccc(C)c1)c1nn[n-]n1	ZINC000006556968	462690832	/nfs/dbraw/zinc/69/08/32/462690832.db2.gz	MCCVIXSYRICFSX-AWEZNQCLSA-N	-1	1	337.383	2.482	50	0		EEAAMM
COCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C)c(C)c2)n1	ZINC000009045250	462797196	/nfs/dbraw/zinc/79/71/96/462797196.db2.gz	LQSAEOZPNJKDJM-UHFFFAOYSA-N	-1	1	333.413	2.264	50	0		EEAAMM
Cc1cc(C)cc(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)c1	ZINC000013366516	462891776	/nfs/dbraw/zinc/89/17/76/462891776.db2.gz	DQKSQXNAZUWRBG-UHFFFAOYSA-N	-1	1	325.372	2.326	50	0		EEAAMM
Nc1cc(=O)[n-]c(SCC(=O)c2ccccc2Br)n1	ZINC000015379135	462950858	/nfs/dbraw/zinc/95/08/58/462950858.db2.gz	BKDPUJQCPBCWME-UHFFFAOYSA-N	-1	1	340.202	2.090	50	0		EEAAMM
CCc1cc2c([n-]c(=S)n(NC(=O)c3ccncc3)c2=O)s1	ZINC000017068338	462993683	/nfs/dbraw/zinc/99/36/83/462993683.db2.gz	QICNIGFBIMOPGP-UHFFFAOYSA-N	-1	1	332.410	2.462	50	0		EEAAMM
COc1cccc(Cl)c1[C@@H](C(=O)[O-])N(C)CCc1cnn(C)c1	ZINC000095375257	463071445	/nfs/dbraw/zinc/07/14/45/463071445.db2.gz	MHLWVLIFRLHQEB-HNNXBMFYSA-N	-1	1	337.807	2.382	50	0		EEAAMM
COc1ccccc1OC1(C(=O)[O-])CCN(Cc2[nH]cnc2C)CC1	ZINC000082126812	463516496	/nfs/dbraw/zinc/51/64/96/463516496.db2.gz	WLFFBIFWOSSTOL-UHFFFAOYSA-N	-1	1	345.399	2.225	50	0		EEAAMM
O=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccc([O-])cc1O	ZINC000036056620	526782310	/nfs/dbraw/zinc/78/23/10/526782310.db2.gz	FNXHVYLDAVUDRW-UHFFFAOYSA-N	-1	1	330.359	2.242	50	0		EEAAMM
Nc1ncccc1CN1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1	ZINC000082156848	1188887611	/nfs/dbraw/zinc/88/76/11/1188887611.db2.gz	KDFZMLWKEQIURI-UHFFFAOYSA-N	-1	1	345.374	2.301	50	0		EEAAMM
O=C(Nc1nccs1)c1c([O-])n2c3c(cccc3c1=O)CCC2	ZINC000001295638	304019116	/nfs/dbraw/zinc/01/91/16/304019116.db2.gz	PITIQHMZRJKUEI-UHFFFAOYSA-N	-1	1	327.365	2.362	50	0		EEAAMM
Cc1cc(CN2CCC(Oc3ccc(C)nc3C)(C(=O)[O-])CC2)n[nH]1	ZINC000072411211	216203806	/nfs/dbraw/zinc/20/38/06/216203806.db2.gz	ZPYQBZUCBQJLQQ-UHFFFAOYSA-N	-1	1	344.415	2.228	50	0		EEAAMM
CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(Cl)ccc1[O-])CC2	ZINC000091636404	218036433	/nfs/dbraw/zinc/03/64/33/218036433.db2.gz	GWSUYGAWHBTWOZ-KGLIPLIRSA-N	-1	1	325.792	2.048	50	0		EEAAMM
Cc1[nH]nc(CCC(=O)N2CCC[C@](CC3CC3)(C(=O)[O-])C2)c1C	ZINC000091988186	218099382	/nfs/dbraw/zinc/09/93/82/218099382.db2.gz	UPWMXTZHLZOYFL-GOSISDBHSA-N	-1	1	333.432	2.453	50	0		EEAAMM
CON(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000009116143	211043040	/nfs/dbraw/zinc/04/30/40/211043040.db2.gz	DQZZFOSZBPAQNZ-UHFFFAOYSA-N	-1	1	334.397	2.429	50	0		EEAAMM
CN(Cc1cc(C2CC2)[nH]n1)[C@H](C(=O)[O-])c1ccc2c(c1)OCO2	ZINC000095376175	218308860	/nfs/dbraw/zinc/30/88/60/218308860.db2.gz	IAZQHVDIPGXSIR-INIZCTEOSA-N	-1	1	329.356	2.274	50	0		EEAAMM
Cc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCC3)cc1F	ZINC000004953017	210337133	/nfs/dbraw/zinc/33/71/33/210337133.db2.gz	XFZALYFNLJWTEX-UHFFFAOYSA-N	-1	1	333.388	2.437	50	0		EEAAMM
O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1	ZINC000001926502	462587402	/nfs/dbraw/zinc/58/74/02/462587402.db2.gz	KHFYTRJCBYKDMD-SFHVURJKSA-N	-1	1	338.407	2.094	50	0		EEAAMM
O=C([O-])C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	ZINC000001926502	462587405	/nfs/dbraw/zinc/58/74/05/462587405.db2.gz	KHFYTRJCBYKDMD-SFHVURJKSA-N	-1	1	338.407	2.094	50	0		EEAAMM
CCc1ccc2nc(Nc3nc(COC)cc(=O)[n-]3)nc(C)c2c1	ZINC000017837522	463002255	/nfs/dbraw/zinc/00/22/55/463002255.db2.gz	FOWJZSWMOQJOGI-UHFFFAOYSA-N	-1	1	325.372	2.474	50	0		EEAAMM
CN(Cc1cccnc1)c1nc2c(c(=O)[n-]1)Cc1ccccc1OC2	ZINC000095507225	463097237	/nfs/dbraw/zinc/09/72/37/463097237.db2.gz	YPTDFSRRWBDNQN-UHFFFAOYSA-N	-1	1	334.379	2.285	50	0		EEAAMM
CC(=O)N(Cc1ccccc1Cl)c1nn2c([n-]1)nc(C)c(C)c2=O	ZINC000101416925	463377983	/nfs/dbraw/zinc/37/79/83/463377983.db2.gz	YGVRKJHMBJOARG-UHFFFAOYSA-N	-1	1	345.790	2.241	50	0		EEAAMM
CCOCCc1nnc([N-]C(=O)c2snnc2C(C)C)s1	ZINC001529112253	1121321716	/nfs/dbraw/zinc/32/17/16/1121321716.db2.gz	HREMFQHHFZWMOF-UHFFFAOYSA-N	-1	1	327.435	2.344	50	0		EEAAMM
Cc1ccsc1C(=O)N1CCCN(C(=O)c2cncc([O-])c2)CC1	ZINC001529133292	1121333867	/nfs/dbraw/zinc/33/38/67/1121333867.db2.gz	HLNGPNAGDSQVHZ-UHFFFAOYSA-N	-1	1	345.424	2.145	50	0		EEAAMM
Cc1cnn(C2(C(=O)[O-])CCN(Cc3ccnc(C(C)C)n3)CC2)c1	ZINC000072474607	216252060	/nfs/dbraw/zinc/25/20/60/216252060.db2.gz	JMFZFGKWNCJOOK-UHFFFAOYSA-N	-1	1	343.431	2.181	50	0		EEAAMM
CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)cc1	ZINC000021707814	212241936	/nfs/dbraw/zinc/24/19/36/212241936.db2.gz	VNAGOQHLCPFZOZ-UHFFFAOYSA-N	-1	1	334.397	2.246	50	0		EEAAMM
O=C(NCCCc1nn[n-]n1)c1cc(C(F)(F)F)ccc1Cl	ZINC000020233833	212113992	/nfs/dbraw/zinc/11/39/92/212113992.db2.gz	ODPQTOWAUPGHLI-UHFFFAOYSA-N	-1	1	333.701	2.235	50	0		EEAAMM
COCC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccn2)[n-]c1=O	ZINC000091645795	218038653	/nfs/dbraw/zinc/03/86/53/218038653.db2.gz	NPHSOYKOERMFQE-ZDUSSCGKSA-N	-1	1	342.399	2.275	50	0		EEAAMM
COCC[C@@]1(C(=O)[O-])CCCN(c2cc(C)nc(N3CCCC3)n2)C1	ZINC000091943088	218092861	/nfs/dbraw/zinc/09/28/61/218092861.db2.gz	NCFSIWNMYWOTRK-SFHVURJKSA-N	-1	1	348.447	2.093	50	0		EEAAMM
O=C([O-])c1cc(-n2c(=S)[nH]nc2-c2ccc(=O)[nH]n2)ccc1Cl	ZINC000009016004	211031431	/nfs/dbraw/zinc/03/14/31/211031431.db2.gz	ZWXNLCGXHBQAOC-UHFFFAOYSA-N	-1	1	349.759	2.444	50	0		EEAAMM
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1	ZINC000000423381	462561704	/nfs/dbraw/zinc/56/17/04/462561704.db2.gz	IZMRNRGXIQXSKA-UHFFFAOYSA-N	-1	1	332.381	2.381	50	0		EEAAMM
COc1ccccc1C[C@H](C(=O)Nc1cccc(C)c1)c1nn[n-]n1	ZINC000006556983	462690701	/nfs/dbraw/zinc/69/07/01/462690701.db2.gz	SXJRVFYPRKANQH-HNNXBMFYSA-N	-1	1	337.383	2.482	50	0		EEAAMM
O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NC1CC1	ZINC000006623257	462693602	/nfs/dbraw/zinc/69/36/02/462693602.db2.gz	KPOWEYAOWUWWMG-UHFFFAOYSA-N	-1	1	348.399	2.448	50	0		EEAAMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1	ZINC000007360774	462732657	/nfs/dbraw/zinc/73/26/57/462732657.db2.gz	BNRXUOSAINYKHO-UHFFFAOYSA-N	-1	1	348.380	2.232	50	0		EEAAMM
Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2nc(C)c(C)c(=O)[n-]2)n1	ZINC000007420980	462735291	/nfs/dbraw/zinc/73/52/91/462735291.db2.gz	SIEICPLUPZULFU-UHFFFAOYSA-N	-1	1	341.346	2.272	50	0		EEAAMM
CCCCc1c(C)[nH]c2[n-]n(-c3nc(C)cc(C)n3)c(=O)c2c1=O	ZINC000018063675	463005885	/nfs/dbraw/zinc/00/58/85/463005885.db2.gz	WPQJSMUMMWYHMN-UHFFFAOYSA-N	-1	1	327.388	2.065	50	0		EEAAMM
CCCCc1c(C)[nH]c2nn(-c3nc(C)cc(C)n3)c([O-])c2c1=O	ZINC000018063675	463005887	/nfs/dbraw/zinc/00/58/87/463005887.db2.gz	WPQJSMUMMWYHMN-UHFFFAOYSA-N	-1	1	327.388	2.065	50	0		EEAAMM
CCCCc1c(C)[nH]c2nn(-c3nc(C)cc(C)n3)c(=O)c-2c1[O-]	ZINC000018063675	463005890	/nfs/dbraw/zinc/00/58/90/463005890.db2.gz	WPQJSMUMMWYHMN-UHFFFAOYSA-N	-1	1	327.388	2.065	50	0		EEAAMM
CN(Cc1cc(C2CC2)[nH]n1)[C@H](C(=O)[O-])c1cccc2c1OCC2	ZINC000095523813	463103275	/nfs/dbraw/zinc/10/32/75/463103275.db2.gz	ZOWRYONIQOBULL-INIZCTEOSA-N	-1	1	327.384	2.480	50	0		EEAAMM
C[C@@H](Sc1nc2[nH]cnc2c(=O)[n-]1)C(=O)Nc1ccc(F)cc1	ZINC000033324868	463420938	/nfs/dbraw/zinc/42/09/38/463420938.db2.gz	WDPGJJYIOYILOK-SSDOTTSWSA-N	-1	1	333.348	2.317	50	0		EEAAMM
O=C(c1ccc2cccnc2c1[O-])N1CCO[C@H](C(F)(F)F)C1	ZINC000071759522	463423542	/nfs/dbraw/zinc/42/35/42/463423542.db2.gz	LFBJZGIELBHZRE-NSHDSACASA-N	-1	1	326.274	2.344	50	0		EEAAMM
O=C(c1ncccc1[O-])N1CCC[C@H](c2nccn2CC2CC2)C1	ZINC000082119906	463515363	/nfs/dbraw/zinc/51/53/63/463515363.db2.gz	PJXOSKLTNVWGHT-AWEZNQCLSA-N	-1	1	326.400	2.414	50	0		EEAAMM
Cc1n[nH]c(-c2ccc(F)cc2)c1CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000253406475	465003454	/nfs/dbraw/zinc/00/34/54/465003454.db2.gz	IYSYPLWKGKKYBH-UHFFFAOYSA-N	-1	1	345.374	2.390	50	0		EEAAMM
Cn1cc([C@H](NC(=O)c2ccc(Cl)cc2[O-])[C@H]2C[C@@H](O)C2)cn1	ZINC000244884161	243097780	/nfs/dbraw/zinc/09/77/80/243097780.db2.gz	YGOORGUYNHNUAL-MURWCNHISA-N	-1	1	335.791	2.021	50	0		EEAAMM
Cc1ccccc1OCCC(=O)OCC(=O)[N-]C(=O)c1ccccc1	ZINC000005989032	210573296	/nfs/dbraw/zinc/57/32/96/210573296.db2.gz	CJNSCAXMRYLJPY-UHFFFAOYSA-N	-1	1	341.363	2.264	50	0		EEAAMM
COc1cc2[n-]c(=S)n(NC(=O)CC(C)C)c(=O)c2cc1OC	ZINC000002341964	462592892	/nfs/dbraw/zinc/59/28/92/462592892.db2.gz	QADOSDWICWUVQO-UHFFFAOYSA-N	-1	1	337.401	2.192	50	0		EEAAMM
COc1cccc(C[C@@H](C(=O)Nc2ccc(C)cc2)c2nn[n-]n2)c1	ZINC000006556774	462691205	/nfs/dbraw/zinc/69/12/05/462691205.db2.gz	SFDLDZIJZQEOMY-MRXNPFEDSA-N	-1	1	337.383	2.482	50	0		EEAAMM
Cc1cc([O-])c2c(C)c(CC(=O)NCc3ccncc3)c(=O)oc2c1	ZINC000006660593	462694529	/nfs/dbraw/zinc/69/45/29/462694529.db2.gz	DYRPQHBRDZJFQQ-UHFFFAOYSA-N	-1	1	338.363	2.369	50	0		EEAAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)Cc2cccs2)n1	ZINC000007419862	462734687	/nfs/dbraw/zinc/73/46/87/462734687.db2.gz	BSLYSKHXFSKGBX-UHFFFAOYSA-N	-1	1	343.412	2.069	50	0		EEAAMM
CCCc1cc(=O)[n-]c(SCc2cc(=O)n3cc(C)ccc3n2)n1	ZINC000016039472	462969419	/nfs/dbraw/zinc/96/94/19/462969419.db2.gz	ITAFJQKHZPDKBF-UHFFFAOYSA-N	-1	1	342.424	2.331	50	0		EEAAMM
O=C(NC[C@@H]1CCOc2ccccc2C1)c1cnc(C2CC2)[n-]c1=O	ZINC000097815139	463363762	/nfs/dbraw/zinc/36/37/62/463363762.db2.gz	WASGVLCABLRARG-GFCCVEGCSA-N	-1	1	339.395	2.019	50	0		EEAAMM
CCOC(=O)[C@@H](C)Sc1nnc([N-]C(=O)c2cc(C)on2)s1	ZINC000043939668	213602005	/nfs/dbraw/zinc/60/20/05/213602005.db2.gz	GMNYESWKRBODRP-SSDOTTSWSA-N	-1	1	342.402	2.131	50	0		EEAAMM
COc1ccc(C)cc1NC(=O)CCc1c(C)nc2[n-]cnn2c1=O	ZINC000036569741	213100574	/nfs/dbraw/zinc/10/05/74/213100574.db2.gz	JJKOOLNBEMEZJQ-UHFFFAOYSA-N	-1	1	341.371	2.027	50	0		EEAAMM
CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N1CCOC3(CCCC3)C1)C2	ZINC000077406528	284132468	/nfs/dbraw/zinc/13/24/68/284132468.db2.gz	JUEZSGBUYVRVKI-CQSZACIVSA-N	-1	1	347.459	2.494	50	0		EEAAMM
CONC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000012521365	211397416	/nfs/dbraw/zinc/39/74/16/211397416.db2.gz	YQBLHYNTGRBEQC-UHFFFAOYSA-N	-1	1	334.397	2.395	50	0		EEAAMM
COC[C@]1(O)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1(C)C	ZINC000091425425	218004391	/nfs/dbraw/zinc/00/43/91/218004391.db2.gz	NWEHZDGEGZEDOK-QGZVFWFLSA-N	-1	1	341.835	2.224	50	0		EEAAMM
O=C(NCCOc1ccccc1)c1cnc(-c2ccncc2)[n-]c1=O	ZINC000091707538	218052622	/nfs/dbraw/zinc/05/26/22/218052622.db2.gz	MBSGGIYRISVLJF-UHFFFAOYSA-N	-1	1	336.351	2.053	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2cccc3nsnc32)n1	ZINC000009143530	211045018	/nfs/dbraw/zinc/04/50/18/211045018.db2.gz	IFYDFPVEEFPWLO-UHFFFAOYSA-N	-1	1	333.398	2.226	50	0		EEAAMM
O=C([O-])c1coc(C[N@H+]2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)n1	ZINC000095358896	218291485	/nfs/dbraw/zinc/29/14/85/218291485.db2.gz	YAXQLLHCYHVICZ-CYBMUJFWSA-N	-1	1	330.340	2.451	50	0		EEAAMM
COc1cccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1	ZINC000008768501	211001983	/nfs/dbraw/zinc/00/19/83/211001983.db2.gz	GKMUTMQHVFVASO-UHFFFAOYSA-N	-1	1	333.413	2.380	50	0		EEAAMM
COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000000267731	462552218	/nfs/dbraw/zinc/55/22/18/462552218.db2.gz	JEMRLDDKWRHQCQ-UHFFFAOYSA-N	-1	1	325.317	2.333	50	0		EEAAMM
CC(C)Cn1c([O-])c(C(=O)Nc2cnccn2)c(=O)c2ccccc21	ZINC000001248200	462579304	/nfs/dbraw/zinc/57/93/04/462579304.db2.gz	ISKJUFYJFYMNSD-UHFFFAOYSA-N	-1	1	338.367	2.405	50	0		EEAAMM
O=C1[N-]C(=S)N/C1=C\c1c(-c2ccccc2)nc2sccn12	ZINC000007900609	462755913	/nfs/dbraw/zinc/75/59/13/462755913.db2.gz	UUANUQXLOHAALZ-NTMALXAHSA-N	-1	1	326.406	2.408	50	0		EEAAMM
O=[P@]([O-])(O)[C@H](NCc1ccc2c(c1)OCCO2)c1ccsc1	ZINC000012997540	462880680	/nfs/dbraw/zinc/88/06/80/462880680.db2.gz	IHFJTUIITDDSKK-AWEZNQCLSA-N	-1	1	341.325	2.485	50	0		EEAAMM
CCS(=O)(=O)c1ccc([O-])c(-n2ccnc2-c2ccncc2)c1	ZINC000077564763	463006120	/nfs/dbraw/zinc/00/61/20/463006120.db2.gz	VOCRFMZGRCPZJZ-UHFFFAOYSA-N	-1	1	329.381	2.434	50	0		EEAAMM
COC(=O)C[C@@H](c1cnn(C)c1)c1c(=O)[nH][n-]c1Cc1ccccc1	ZINC000096118218	463180629	/nfs/dbraw/zinc/18/06/29/463180629.db2.gz	BHOBJQSBDGNONG-AWEZNQCLSA-N	-1	1	340.383	2.135	50	0		EEAAMM
Cc1n[nH]c(C)c1CCCN(C)C(=O)c1cnc(C2CC2)[n-]c1=O	ZINC001506418999	1114601305	/nfs/dbraw/zinc/60/13/05/1114601305.db2.gz	VMYFTHMMYPLORC-UHFFFAOYSA-N	-1	1	329.404	2.104	50	0		EEAAMM
CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H](C(=O)[O-])C1	ZINC000035084025	213006633	/nfs/dbraw/zinc/00/66/33/213006633.db2.gz	URXPWAGIWPGRLC-JTQLQIEISA-N	-1	1	330.837	2.157	50	0		EEAAMM
CCc1c([O-])nc(SCC(=O)N(CC)CC)n([C@@H](C)CC)c1=O	ZINC000023115199	212349867	/nfs/dbraw/zinc/34/98/67/212349867.db2.gz	NHQRSFMHFDTVLD-NSHDSACASA-N	-1	1	341.477	2.443	50	0		EEAAMM
COC(=O)C[C@H](c1cccs1)c1c([O-])nc2ccccn2c1=O	ZINC000205969543	241042133	/nfs/dbraw/zinc/04/21/33/241042133.db2.gz	UFKOWUGPDLEZFE-SNVBAGLBSA-N	-1	1	330.365	2.157	50	0		EEAAMM
CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)C2CC2)[n-]c1=O	ZINC000012127554	211300112	/nfs/dbraw/zinc/30/01/12/211300112.db2.gz	DTAKMNOBOBUSSC-UHFFFAOYSA-N	-1	1	327.388	2.052	50	0		EEAAMM
CCC(=O)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[n-]1)CCC2	ZINC000012009517	211279035	/nfs/dbraw/zinc/27/90/35/211279035.db2.gz	JRMCUUKXVZQXFG-UHFFFAOYSA-N	-1	1	339.355	2.053	50	0		EEAAMM
Cc1ncsc1CCN(C)C(=O)c1cnc(C(C)(C)C)[n-]c1=O	ZINC000091526201	218017719	/nfs/dbraw/zinc/01/77/19/218017719.db2.gz	MAOLWCPXRTUGBY-UHFFFAOYSA-N	-1	1	334.445	2.147	50	0		EEAAMM
CCC[C@H](NC(=O)CCc1n[nH]c(=S)[n-]c1=O)c1ccccc1	ZINC000011238840	211208465	/nfs/dbraw/zinc/20/84/65/211208465.db2.gz	QAHHHHLXMZEFHA-LBPRGKRZSA-N	-1	1	332.429	2.418	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1F	ZINC000010063813	211145592	/nfs/dbraw/zinc/14/55/92/211145592.db2.gz	OFOSSQQJILBLQU-UHFFFAOYSA-N	-1	1	336.344	2.130	50	0		EEAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1F	ZINC000004959223	210340194	/nfs/dbraw/zinc/34/01/94/210340194.db2.gz	FEEMTNADXWMRDR-UHFFFAOYSA-N	-1	1	336.344	2.380	50	0		EEAAMM
CN1CCC2(CCN(C(=O)c3ccc([O-])c(F)c3)CC2)CCC1=O	ZINC000299778600	258088136	/nfs/dbraw/zinc/08/81/36/258088136.db2.gz	PHXFROFYYGYXIL-UHFFFAOYSA-N	-1	1	334.391	2.396	50	0		EEAAMM
Cc1nc([C@@H]2CCCN2CCC(=O)Nc2ccsc2C(=O)[O-])n[nH]1	ZINC000252489049	464965325	/nfs/dbraw/zinc/96/53/25/464965325.db2.gz	JEAGNIVTTPUJMH-NSHDSACASA-N	-1	1	349.416	2.039	50	0		EEAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1	ZINC000000109321	462542425	/nfs/dbraw/zinc/54/24/25/462542425.db2.gz	AOENGEMKZXGRPE-CQSZACIVSA-N	-1	1	330.409	2.399	50	0		EEAAMM
CSc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc2[n-]cnn23)cc1	ZINC000004625688	462635063	/nfs/dbraw/zinc/63/50/63/462635063.db2.gz	ILKVPRDTONECIW-JTQLQIEISA-N	-1	1	327.369	2.026	50	0		EEAAMM
CCc1c(C)nc(SCC(=O)NCc2ccc(F)cc2)[n-]c1=O	ZINC000005155396	462647683	/nfs/dbraw/zinc/64/76/83/462647683.db2.gz	XJDZEBLBOFVKTG-UHFFFAOYSA-N	-1	1	335.404	2.188	50	0		EEAAMM
O=C(CSc1nnc2ccccn21)[N-]C(=O)c1ccccc1Cl	ZINC000008128962	462768437	/nfs/dbraw/zinc/76/84/37/462768437.db2.gz	KXBBEVUQNZIPMX-UHFFFAOYSA-N	-1	1	346.799	2.431	50	0		EEAAMM
O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccc([O-])cc1O	ZINC000018255705	463011168	/nfs/dbraw/zinc/01/11/68/463011168.db2.gz	SJFICSRMIYZBFA-FOSCPWQOSA-N	-1	1	332.352	2.219	50	0		EEAAMM
CN(Cc1ccccn1)c1nc2c(c(=O)[n-]1)Cc1ccccc1OC2	ZINC000095528995	463105692	/nfs/dbraw/zinc/10/56/92/463105692.db2.gz	GWNQPUSASXNUIM-UHFFFAOYSA-N	-1	1	334.379	2.285	50	0		EEAAMM
Cc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000031148624	463326660	/nfs/dbraw/zinc/32/66/60/463326660.db2.gz	UGORGWXTRJWTNP-UHFFFAOYSA-N	-1	1	348.424	2.132	50	0		EEAAMM
CCOc1cc2c(cc1CN1Cc3[nH]cnc3C[C@H]1C(=O)[O-])CCC2	ZINC000097347172	463354583	/nfs/dbraw/zinc/35/45/83/463354583.db2.gz	DKRDUNVZGJFYOP-KRWDZBQOSA-N	-1	1	341.411	2.309	50	0		EEAAMM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCCCCC1	ZINC000739285634	578046956	/nfs/dbraw/zinc/04/69/56/578046956.db2.gz	ILCXZFVPTOARFG-KRWDZBQOSA-N	-1	1	343.427	2.156	50	0		EEAAMM
O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3)cc3c2N1CCC3	ZINC000004270343	210156349	/nfs/dbraw/zinc/15/63/49/210156349.db2.gz	KITFQVAOUGNWFH-UHFFFAOYSA-N	-1	1	328.393	2.323	50	0		EEAAMM
CCOC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccccc32)CC1	ZINC000012322925	211347919	/nfs/dbraw/zinc/34/79/19/211347919.db2.gz	DZXDQPREGHPMRH-HNNXBMFYSA-N	-1	1	331.372	2.068	50	0		EEAAMM
CCCC(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCCC2	ZINC000012130134	211301187	/nfs/dbraw/zinc/30/11/87/211301187.db2.gz	KLAKRRNHASZIHO-UHFFFAOYSA-N	-1	1	341.415	2.450	50	0		EEAAMM
O=C(NCc1ccc(Cl)cc1)c1c([O-])nc2sccn2c1=O	ZINC000010166641	211151970	/nfs/dbraw/zinc/15/19/70/211151970.db2.gz	QTIGRMIXMOBONN-UHFFFAOYSA-N	-1	1	335.772	2.045	50	0		EEAAMM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)ccc1F	ZINC000004913905	210320914	/nfs/dbraw/zinc/32/09/14/210320914.db2.gz	JUBCMJWXGXWPHB-UHFFFAOYSA-N	-1	1	349.387	2.125	50	0		EEAAMM
O=C([O-])c1cccc(CN2CCC(OCc3ccccn3)CC2)n1	ZINC000097295348	219009836	/nfs/dbraw/zinc/00/98/36/219009836.db2.gz	RYOAVVUXTDVNMS-UHFFFAOYSA-N	-1	1	327.384	2.356	50	0		EEAAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2c(Cl)cccc2Cl)n1	ZINC000007343048	462731283	/nfs/dbraw/zinc/73/12/83/462731283.db2.gz	GSYITGQTIYOFGT-UHFFFAOYSA-N	-1	1	345.211	2.390	50	0	biogenic,in-vitro	EEAAMM
Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cccc1-n1cnnn1	ZINC000012548646	462856402	/nfs/dbraw/zinc/85/64/02/462856402.db2.gz	RISSEFRJQPFVAH-UHFFFAOYSA-N	-1	1	349.803	2.425	50	0		EEAAMM
COc1cc(/C=C2\NC(=S)[N-]C2=O)cc(Cl)c1OC(C)C	ZINC000016091084	462968971	/nfs/dbraw/zinc/96/89/71/462968971.db2.gz	UTNDVMSLAGEKCW-YHYXMXQVSA-N	-1	1	326.805	2.481	50	0		EEAAMM
CC1(C)CNC(=O)c2[n-]c(-c3nc(Cc4ccccc4)no3)nc2C1	ZINC000095505244	463097320	/nfs/dbraw/zinc/09/73/20/463097320.db2.gz	HTGCJQWJYBVOHX-UHFFFAOYSA-N	-1	1	337.383	2.363	50	0		EEAAMM
CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1	ZINC000032502294	463381055	/nfs/dbraw/zinc/38/10/55/463381055.db2.gz	AJCZTIQIOJOSQP-UHFFFAOYSA-N	-1	1	345.424	2.240	50	0		EEAAMM
O=C(CSc1nc2[nH]cnc2c(=O)[n-]1)Nc1ccc(Cl)cc1	ZINC000033324832	463421119	/nfs/dbraw/zinc/42/11/19/463421119.db2.gz	FQVDKXNVTPSMMP-UHFFFAOYSA-N	-1	1	335.776	2.443	50	0		EEAAMM
COCCc1noc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])n1	ZINC000220406485	464116862	/nfs/dbraw/zinc/11/68/62/464116862.db2.gz	FPSICIJKZDOEPH-QMMMGPOBSA-N	-1	1	325.752	2.109	50	0		EEAAMM
CCc1cc(N(C)Cc2nc(=O)c3sccc3[n-]2)nc(N(C)C)n1	ZINC000067983048	215267513	/nfs/dbraw/zinc/26/75/13/215267513.db2.gz	QHSTWBPHYNUPIA-UHFFFAOYSA-N	-1	1	344.444	2.039	50	0		EEAAMM
Cc1csc(NC(=O)c2cnn(-c3nc(C)cc(=O)[n-]3)c2C)n1	ZINC000035598408	213041309	/nfs/dbraw/zinc/04/13/09/213041309.db2.gz	OBRLCWWBKOLFOZ-UHFFFAOYSA-N	-1	1	330.373	2.002	50	0		EEAAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC3)c2)cc1	ZINC000012526035	211398596	/nfs/dbraw/zinc/39/85/96/211398596.db2.gz	YSANROYLWQCAIE-UHFFFAOYSA-N	-1	1	346.408	2.342	50	0		EEAAMM
Cc1cc(=O)[n-]c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1	ZINC000012311537	211341379	/nfs/dbraw/zinc/34/13/79/211341379.db2.gz	VZXYTJXSFZVNMH-UHFFFAOYSA-N	-1	1	333.457	2.255	50	0		EEAAMM
O=C(CSc1nc2c(c(=O)[n-]1)CCCC2)NCCc1ccccc1	ZINC000011903491	211264551	/nfs/dbraw/zinc/26/45/51/211264551.db2.gz	DQZXINSTPRKWRU-UHFFFAOYSA-N	-1	1	343.452	2.100	50	0		EEAAMM
Nc1cc(=O)[n-]c(S[C@@H](C(=O)NC2CCCC2)c2ccccc2)n1	ZINC000010861784	211192766	/nfs/dbraw/zinc/19/27/66/211192766.db2.gz	BWVCJKFLXFWOPH-OAHLLOKOSA-N	-1	1	344.440	2.244	50	0		EEAAMM
CN(Cc1cc(C2CC2)[nH]n1)[C@@H](C(=O)[O-])c1ccc2c(c1)OCO2	ZINC000095376176	218308489	/nfs/dbraw/zinc/30/84/89/218308489.db2.gz	IAZQHVDIPGXSIR-MRXNPFEDSA-N	-1	1	329.356	2.274	50	0		EEAAMM
O=c1oc2cc(OCc3nn[n-]n3)c(Cl)cc2c2c1CCCC2	ZINC000002443683	462593687	/nfs/dbraw/zinc/59/36/87/462593687.db2.gz	TYCICNXEWIVVGI-UHFFFAOYSA-N	-1	1	332.747	2.417	50	0		EEAAMM
CCCn1nc(C)c(CNC(=O)c2cnc(C(C)(C)C)[n-]c2=O)c1C	ZINC000091254540	462866133	/nfs/dbraw/zinc/86/61/33/462866133.db2.gz	VFBIKMPGPHIRGN-UHFFFAOYSA-N	-1	1	345.447	2.221	50	0		EEAAMM
Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000014728859	462931565	/nfs/dbraw/zinc/93/15/65/462931565.db2.gz	JOAFHESTVRCTAE-UHFFFAOYSA-N	-1	1	349.803	2.331	50	0		EEAAMM
Cn1nc(C[N-]S(=O)(=O)c2c(F)cccc2F)c2c1CCCC2	ZINC000096099169	463173166	/nfs/dbraw/zinc/17/31/66/463173166.db2.gz	UUHKIIHJSZNTNC-UHFFFAOYSA-N	-1	1	341.383	2.056	50	0		EEAAMM
CCCCC([O-])=C1C(=O)C[C@H](c2ccccc2)[C@@H](C(=O)OC)C1=O	ZINC000229764499	534957396	/nfs/dbraw/zinc/95/73/96/534957396.db2.gz	XCLFWCXQIKELRX-KBRIMQKVSA-N	-1	1	330.380	2.477	50	0	biogenic	EEAAMM
CCCCC(=O)C1=C([O-])C[C@H](c2ccccc2)[C@@H](C(=O)OC)C1=O	ZINC000229764499	534957399	/nfs/dbraw/zinc/95/73/99/534957399.db2.gz	XCLFWCXQIKELRX-KBRIMQKVSA-N	-1	1	330.380	2.477	50	0	biogenic	EEAAMM
Cc1ccc(-c2ccc(CCC(=O)N3CCN[C@@H](C(=O)[O-])C3)o2)cc1	ZINC000071721382	1253370068	/nfs/dbraw/zinc/37/00/68/1253370068.db2.gz	HWWGXKPSNRHQIZ-MRXNPFEDSA-N	-1	1	342.395	2.073	50	0		EEAAMM
O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2	ZINC000004035967	210105633	/nfs/dbraw/zinc/10/56/33/210105633.db2.gz	SFUZGQUFEUZKQX-UHFFFAOYSA-N	-1	1	349.364	2.030	50	0		EEAAMM
CC[C@@H](C)NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1	ZINC000102032644	219181555	/nfs/dbraw/zinc/18/15/55/219181555.db2.gz	VRMWNCYCCGIHQW-SNVBAGLBSA-N	-1	1	325.434	2.071	50	0		EEAAMM
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Br)c2)c[nH]1	ZINC000020213476	212111700	/nfs/dbraw/zinc/11/17/00/212111700.db2.gz	FYJZMBVIHXOZNQ-UHFFFAOYSA-N	-1	1	345.174	2.276	50	0		EEAAMM
O=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)c1ncccc1[O-]	ZINC000091896186	284184305	/nfs/dbraw/zinc/18/43/05/284184305.db2.gz	KQPVZLOJAZHPFH-ZDUSSCGKSA-N	-1	1	335.367	2.175	50	0		EEAAMM
COc1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(=O)[n-]2)CCC3)cc1	ZINC000011905474	211266448	/nfs/dbraw/zinc/26/64/48/211266448.db2.gz	QAPIZTRDSASPFZ-SNVBAGLBSA-N	-1	1	345.424	2.387	50	0		EEAAMM
Cn1c(Cc2nn3c([n-]2)c2ccccc2nc3=O)nc2ccccc21	ZINC000009644457	211110893	/nfs/dbraw/zinc/11/08/93/211110893.db2.gz	NAOSXWCSBLNARD-UHFFFAOYSA-N	-1	1	330.351	2.048	50	0		EEAAMM
Cc1ccc(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)cc1F	ZINC000009610466	211107438	/nfs/dbraw/zinc/10/74/38/211107438.db2.gz	LAZNNRXWXAUGCH-UHFFFAOYSA-N	-1	1	329.335	2.157	50	0		EEAAMM
[S-]c1nnc2n1-c1nnc(S)n1-c1sc3c(c1-2)CCCC3	ZINC000005843534	462670946	/nfs/dbraw/zinc/67/09/46/462670946.db2.gz	VZXKORSAFKZHOE-UHFFFAOYSA-N	-1	1	334.455	2.346	50	0		EEAAMM
[S-]c1nnc2n1-c1sc3c(c1-c1nnc(S)n1-2)CCCC3	ZINC000005843534	462670953	/nfs/dbraw/zinc/67/09/53/462670953.db2.gz	VZXKORSAFKZHOE-UHFFFAOYSA-N	-1	1	334.455	2.346	50	0		EEAAMM
O=C([N-]c1ccon1)c1cc(S(=O)(=O)N2CCCCC2)cs1	ZINC000006680481	462697160	/nfs/dbraw/zinc/69/71/60/462697160.db2.gz	XBQUSDPJHIHVHG-UHFFFAOYSA-N	-1	1	341.414	2.163	50	0		EEAAMM
Cc1cc(NC(=O)Cc2ccccc2)n(-c2nc(C)c(C)c(=O)[n-]2)n1	ZINC000007421297	462735531	/nfs/dbraw/zinc/73/55/31/462735531.db2.gz	WFZLKOBYDJZGPF-UHFFFAOYSA-N	-1	1	337.383	2.062	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)NCc1cccc(Cl)c1	ZINC000013693259	462901265	/nfs/dbraw/zinc/90/12/65/462901265.db2.gz	UAELAMHXEMORFO-UHFFFAOYSA-N	-1	1	345.790	2.041	50	0		EEAAMM
COCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1	ZINC000015272622	462944980	/nfs/dbraw/zinc/94/49/80/462944980.db2.gz	FHKPAPJGXRRDEM-UHFFFAOYSA-N	-1	1	348.424	2.172	50	0		EEAAMM
O=C(NCCC1=CCCCC1)c1ccc(S(=O)(=O)[N-]C2CC2)o1	ZINC000032913962	463402637	/nfs/dbraw/zinc/40/26/37/463402637.db2.gz	IHSWCXMRUDPQEV-UHFFFAOYSA-N	-1	1	338.429	2.341	50	0		EEAAMM
COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)c1	ZINC000252480055	464961140	/nfs/dbraw/zinc/96/11/40/464961140.db2.gz	BTEFCEBGOTWPRK-UHFFFAOYSA-N	-1	1	346.408	2.388	50	0		EEAAMM
CCOC(=O)C1CCN(Cc2c([O-])c3ccccc3oc2=O)CC1	ZINC000100753010	676034225	/nfs/dbraw/zinc/03/42/25/676034225.db2.gz	QSNRLLPIFFXQCG-UHFFFAOYSA-N	-1	1	331.368	2.274	50	0		EEAAMM
O=C([O-])c1coc(CN2CCCN(Cc3cccc(F)c3)CC2)n1	ZINC001529102134	1121315719	/nfs/dbraw/zinc/31/57/19/1121315719.db2.gz	XUWKMMADWZDRNC-UHFFFAOYSA-N	-1	1	333.363	2.220	50	0		EEAAMM
CCc1cc(=O)[n-]c(SCC(=O)Nc2cc(C)ccc2OC)n1	ZINC000011903381	211264023	/nfs/dbraw/zinc/26/40/23/211264023.db2.gz	WKHLCRLQHKJKPU-UHFFFAOYSA-N	-1	1	333.413	2.380	50	0		EEAAMM
O=C(c1cc(Br)ccc1[O-])N1CCC2(CC1)OCCO2	ZINC000011639395	211228554	/nfs/dbraw/zinc/22/85/54/211228554.db2.gz	LIMDDTWEVBSRLV-UHFFFAOYSA-N	-1	1	342.189	2.134	50	0		EEAAMM
CCc1n[n-]c(=S)n1NC(=O)c1cncc(Br)c1	ZINC000009477074	211089596	/nfs/dbraw/zinc/08/95/96/211089596.db2.gz	WPYMGHMQJGLSBE-UHFFFAOYSA-N	-1	1	328.195	2.044	50	0		EEAAMM
O=C([O-])c1cc(Br)c(O)c(I)c1	ZINC000143275896	304220833	/nfs/dbraw/zinc/22/08/33/304220833.db2.gz	KFRPIHLLNOZMTA-UHFFFAOYSA-N	-1	1	342.914	2.458	50	0		EEAAMM
CCC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl)N(C)C	ZINC000125329306	222547531	/nfs/dbraw/zinc/54/75/31/222547531.db2.gz	ZMNJSGGZQNYWBV-CYBMUJFWSA-N	-1	1	332.853	2.016	50	0		EEAAMM
Cc1cc([O-])c2c(C)c(CC(=O)NCc3cccnc3)c(=O)oc2c1	ZINC000005345644	462655519	/nfs/dbraw/zinc/65/55/19/462655519.db2.gz	HCIHLWPXHXAMSI-UHFFFAOYSA-N	-1	1	338.363	2.369	50	0		EEAAMM
Cc1cc(NC(=O)c2ccccc2C)n(-c2nc(C)c(C)c(=O)[n-]2)n1	ZINC000007420850	462734943	/nfs/dbraw/zinc/73/49/43/462734943.db2.gz	NFLWOIXZDHQZFN-UHFFFAOYSA-N	-1	1	337.383	2.442	50	0		EEAAMM
CC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-]	ZINC000013001542	462881116	/nfs/dbraw/zinc/88/11/16/462881116.db2.gz	GMYFXDCLTMFTIB-NSHDSACASA-N	-1	1	328.434	2.407	50	0		EEAAMM
O=C([N-]c1nnc(S(=O)(=O)Cc2ccccc2)s1)c1ccco1	ZINC000013550697	462895858	/nfs/dbraw/zinc/89/58/58/462895858.db2.gz	BEECZFVWYNTTII-UHFFFAOYSA-N	-1	1	349.393	2.357	50	0		EEAAMM
O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cnc(N2CCCC2)nc1	ZINC000215361004	464106017	/nfs/dbraw/zinc/10/60/17/464106017.db2.gz	SDMZFMQALWSJJO-KRWDZBQOSA-N	-1	1	338.411	2.088	50	0		EEAAMM
COc1cc(CCC(=O)N(CC(=O)[O-])Cc2cnc(C)[nH]2)ccc1C	ZINC001772706220	1179294162	/nfs/dbraw/zinc/29/41/62/1179294162.db2.gz	YKZFQQXDAMMIPQ-UHFFFAOYSA-N	-1	1	345.399	2.081	50	0		EEAAMM
COc1cc2c(cc1CNC(=O)c1cnc(C3CC3)[n-]c1=O)CCC2	ZINC000097743529	219053657	/nfs/dbraw/zinc/05/36/57/219053657.db2.gz	NSSBAFKKKRHZSZ-UHFFFAOYSA-N	-1	1	339.395	2.075	50	0		EEAAMM
Cn1cnc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2)c1Cl	ZINC000037986116	213184478	/nfs/dbraw/zinc/18/44/78/213184478.db2.gz	ALOGRISPVQKEFI-UHFFFAOYSA-N	-1	1	327.837	2.330	50	0		EEAAMM
Cc1ccc(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)cc1C	ZINC000012323302	211347672	/nfs/dbraw/zinc/34/76/72/211347672.db2.gz	MONTWGXRXBTDKR-UHFFFAOYSA-N	-1	1	325.372	2.326	50	0		EEAAMM
Cc1c2cc(F)ccc2[nH]c1CN1Cc2[nH]cnc2C[C@@H]1C(=O)[O-]	ZINC000097334183	219012661	/nfs/dbraw/zinc/01/26/61/219012661.db2.gz	JQIVPRWVFKQONP-MRXNPFEDSA-N	-1	1	328.347	2.350	50	0		EEAAMM
CCOC1CCN(c2nc3c(c(=O)[n-]2)Cc2ccccc2OC3)CC1	ZINC000095506692	273696371	/nfs/dbraw/zinc/69/63/71/273696371.db2.gz	FHOYCTOSHCNLJR-UHFFFAOYSA-N	-1	1	341.411	2.258	50	0		EEAAMM
CCCn1c2ccccc2c([O-])c(C(=O)NCc2cccnc2)c1=O	ZINC000001249537	462578810	/nfs/dbraw/zinc/57/88/10/462578810.db2.gz	ILGDBQUXRRWUJT-UHFFFAOYSA-N	-1	1	337.379	2.442	50	0		EEAAMM
CCCn1c([O-])c(C(=O)NCc2cccnc2)c(=O)c2ccccc21	ZINC000001249537	462578811	/nfs/dbraw/zinc/57/88/11/462578811.db2.gz	ILGDBQUXRRWUJT-UHFFFAOYSA-N	-1	1	337.379	2.442	50	0		EEAAMM
O=C(COC(=O)c1ccc2ncsc2c1)[N-]C(=O)c1ccccc1	ZINC000003360790	462617684	/nfs/dbraw/zinc/61/76/84/462617684.db2.gz	NAJUTMBTWCQNPO-UHFFFAOYSA-N	-1	1	340.360	2.410	50	0		EEAAMM
CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)N(C)O[C@]1([O-])C(F)(F)F	ZINC000004040115	462626932	/nfs/dbraw/zinc/62/69/32/462626932.db2.gz	ZDDQDAHTCZZNHC-OBJOEFQTSA-N	-1	1	349.305	2.044	50	0		EEAAMM
Cc1cc(NC(=O)c2ccc(F)cc2F)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000007419280	462735170	/nfs/dbraw/zinc/73/51/70/462735170.db2.gz	PLUJJPJBHIDIJO-UHFFFAOYSA-N	-1	1	345.309	2.103	50	0		EEAAMM
C/C=C\C(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[n-]1	ZINC000012125957	462844115	/nfs/dbraw/zinc/84/41/15/462844115.db2.gz	BUTONXPUFATCHD-PLNGDYQASA-N	-1	1	327.388	2.471	50	0		EEAAMM
COc1ccc(C(=O)Nn2c(=O)c3ccccc3[n-]c2=S)cc1	ZINC000017067002	462993962	/nfs/dbraw/zinc/99/39/62/462993962.db2.gz	INLYWLFWOOXVQS-UHFFFAOYSA-N	-1	1	327.365	2.452	50	0		EEAAMM
CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1	ZINC000028776310	463233194	/nfs/dbraw/zinc/23/31/94/463233194.db2.gz	WUZRZUHBONHXJF-UHFFFAOYSA-N	-1	1	340.351	2.402	50	0		EEAAMM
CC1(C)CN(C(=O)Cc2cc(=O)[n-][nH]c2=O)C[C@H]1c1ccccc1	ZINC000426512374	535335177	/nfs/dbraw/zinc/33/51/77/535335177.db2.gz	YAIGEFKROIRESP-AWEZNQCLSA-N	-1	1	327.384	2.083	50	0		EEAAMM
C[C@@H]1CN(C(=O)c2ccc(C=C3SC(=O)[N-]C3=O)cc2)C[C@H](C)O1	ZINC000014197965	684223172	/nfs/dbraw/zinc/22/31/72/684223172.db2.gz	SLPWKDBEDYNOAX-FGLUKDLVSA-N	-1	1	346.408	2.260	50	0		EEAAMM
CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccccc32)CC1	ZINC000012322924	211348181	/nfs/dbraw/zinc/34/81/81/211348181.db2.gz	DZXDQPREGHPMRH-OAHLLOKOSA-N	-1	1	331.372	2.068	50	0		EEAAMM
Cc1ccc(C)c(NC(=O)CCc2c(C)nc3[n-]cnn3c2=O)c1	ZINC000012322857	211347831	/nfs/dbraw/zinc/34/78/31/211347831.db2.gz	KNODCTYHIBUUHS-UHFFFAOYSA-N	-1	1	325.372	2.326	50	0		EEAAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2cccc3ccccc32)n1	ZINC000011535516	211220797	/nfs/dbraw/zinc/22/07/97/211220797.db2.gz	LKWDXGVVEQHMJB-UHFFFAOYSA-N	-1	1	326.381	2.236	50	0		EEAAMM
CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1ccc(Cl)s1)CC2	ZINC000095363931	218297247	/nfs/dbraw/zinc/29/72/47/218297247.db2.gz	JVTPDLJRFKIUKY-LLVKDONJSA-N	-1	1	342.848	2.299	50	0		EEAAMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1	ZINC000005013491	210361310	/nfs/dbraw/zinc/36/13/10/210361310.db2.gz	BXJDLPCCQXVXTB-UHFFFAOYSA-N	-1	1	345.424	2.295	50	0		EEAAMM
CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(OC)cc2OC)n1	ZINC000005154926	462647346	/nfs/dbraw/zinc/64/73/46/462647346.db2.gz	BOQNLIZUTSDNMQ-UHFFFAOYSA-N	-1	1	349.412	2.080	50	0		EEAAMM
Cc1ccc(OCCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1	ZINC000005987059	462673721	/nfs/dbraw/zinc/67/37/21/462673721.db2.gz	AUHRIFGPPBHYLN-UHFFFAOYSA-N	-1	1	341.363	2.264	50	0		EEAAMM
COc1ccccc1C[C@H](C(=O)Nc1ccc(F)cc1)c1nn[n-]n1	ZINC000006259438	462680986	/nfs/dbraw/zinc/68/09/86/462680986.db2.gz	QHCIQCDOYFIUAC-AWEZNQCLSA-N	-1	1	341.346	2.312	50	0		EEAAMM
CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000012630453	462861265	/nfs/dbraw/zinc/86/12/65/462861265.db2.gz	ODDHAXZOPUQEDM-UHFFFAOYSA-N	-1	1	338.360	2.260	50	0		EEAAMM
O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)[N-]C2CC2)o1	ZINC000032652475	463385472	/nfs/dbraw/zinc/38/54/72/463385472.db2.gz	AZERNMSAKVEFDN-UHFFFAOYSA-N	-1	1	342.323	2.251	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)o1	ZINC000032922506	463402596	/nfs/dbraw/zinc/40/25/96/463402596.db2.gz	MPRYFEZYTHFXDZ-CYBMUJFWSA-N	-1	1	334.397	2.165	50	0		EEAAMM
CN(CCn1ccc2ccccc21)Cc1cnc(NCC(=O)[O-])nc1	ZINC000534631794	468268246	/nfs/dbraw/zinc/26/82/46/468268246.db2.gz	MUMFJJOZTSXCII-UHFFFAOYSA-N	-1	1	339.399	2.060	50	0		EEAAMM
CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000670438873	485642031	/nfs/dbraw/zinc/64/20/31/485642031.db2.gz	LWVGAIPEJBAVHL-ZDUSSCGKSA-N	-1	1	336.779	2.221	50	0		EEAAMM
O=C1C[C@H](c2ccc(O)cc2)c2c(=O)[n-]c(N3CCCCC3)nc2N1	ZINC000828323368	1204933082	/nfs/dbraw/zinc/93/30/82/1204933082.db2.gz	OINDFSHWCNOKBQ-CYBMUJFWSA-N	-1	1	340.383	2.352	50	0		EEAAMM
CCCCNC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1	ZINC000102323299	219194271	/nfs/dbraw/zinc/19/42/71/219194271.db2.gz	YHYMEVXSKUKWBF-UHFFFAOYSA-N	-1	1	325.434	2.072	50	0		EEAAMM
CCCCNC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1	ZINC000102323299	219194274	/nfs/dbraw/zinc/19/42/74/219194274.db2.gz	YHYMEVXSKUKWBF-UHFFFAOYSA-N	-1	1	325.434	2.072	50	0		EEAAMM
COc1nn(C)cc1C(=O)[N-]c1nnc(-c2ccc(Cl)s2)o1	ZINC000036709536	213112611	/nfs/dbraw/zinc/11/26/11/213112611.db2.gz	NSBFPLFBFOZOAS-UHFFFAOYSA-N	-1	1	339.764	2.446	50	0		EEAAMM
CC[C@H](C)N1CNc2c(c(=O)[n-]c(=S)n2Cc2cccnc2)C1	ZINC000020567740	212147972	/nfs/dbraw/zinc/14/79/72/212147972.db2.gz	BNBMTBAKAMLZDY-NSHDSACASA-N	-1	1	331.445	2.333	50	0		EEAAMM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCC1	ZINC000012525811	211398445	/nfs/dbraw/zinc/39/84/45/211398445.db2.gz	DXNOEJYWJICLHP-UHFFFAOYSA-N	-1	1	334.372	2.472	50	0		EEAAMM
CCOC(=O)N1CCN([C@H](C(=O)[O-])c2c(C)[nH]c3ccccc32)CC1	ZINC000012408377	211371861	/nfs/dbraw/zinc/37/18/61/211371861.db2.gz	TWDLOSVMBLZAOL-INIZCTEOSA-N	-1	1	345.399	2.376	50	0		EEAAMM
COc1ccccc1NC(=O)[C@H](C)Sc1nc2c(c(=O)[n-]1)CCC2	ZINC000011902952	211264049	/nfs/dbraw/zinc/26/40/49/211264049.db2.gz	KVEDOVUQCYZMMW-JTQLQIEISA-N	-1	1	345.424	2.387	50	0		EEAAMM
O=C(CSc1nccc(=O)[n-]1)Nc1ccc(Br)cn1	ZINC000009143449	211044170	/nfs/dbraw/zinc/04/41/70/211044170.db2.gz	GNLVBSOQCROMAO-UHFFFAOYSA-N	-1	1	341.190	2.071	50	0		EEAAMM
CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)N(C)O[C@@]1([O-])C(F)(F)F	ZINC000012859687	279623378	/nfs/dbraw/zinc/62/33/78/279623378.db2.gz	ZDDQDAHTCZZNHC-MBNYWOFBSA-N	-1	1	349.305	2.044	50	0		EEAAMM
Cc1nc2[n-]c(NC(=O)Cc3ccc(Cl)cc3)nn2c(=O)c1C	ZINC000009202824	293556793	/nfs/dbraw/zinc/55/67/93/293556793.db2.gz	OGKJNCSVAXSGNP-UHFFFAOYSA-N	-1	1	331.763	2.281	50	0		EEAAMM
O=C(Nc1ncccc1O)c1c([O-])n2c3c(cccc3c1=O)CCC2	ZINC000001246837	462578588	/nfs/dbraw/zinc/57/85/88/462578588.db2.gz	WSHLWGJIAMYTHV-UHFFFAOYSA-N	-1	1	337.335	2.006	50	0		EEAAMM
Cc1ccc2nc(SCC(=O)N3CCC(C(=O)[O-])CC3)[nH]c2c1	ZINC000002629474	462597035	/nfs/dbraw/zinc/59/70/35/462597035.db2.gz	CDBXHMZSCRTVGY-UHFFFAOYSA-N	-1	1	333.413	2.287	50	0		EEAAMM
O=C1CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)cc3c2N1CC3	ZINC000005153419	462646581	/nfs/dbraw/zinc/64/65/81/462646581.db2.gz	GNPSZAUHPZDHTQ-UHFFFAOYSA-N	-1	1	346.383	2.462	50	0		EEAAMM
CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(F)cc2F)n1	ZINC000005155017	462647441	/nfs/dbraw/zinc/64/74/41/462647441.db2.gz	YZYKVZHIWXTRTB-UHFFFAOYSA-N	-1	1	325.340	2.341	50	0		EEAAMM
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NC[C@@H]1CCCO1	ZINC000005245529	462652477	/nfs/dbraw/zinc/65/24/77/462652477.db2.gz	MHFKCXPCGWBJKG-ZDUSSCGKSA-N	-1	1	331.368	2.035	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)cc1	ZINC000007325516	462730194	/nfs/dbraw/zinc/73/01/94/462730194.db2.gz	UQRMPLRPDAGDOG-UHFFFAOYSA-N	-1	1	346.408	2.388	50	0		EEAAMM
Cc1ccc(-c2noc(CN3CCN(CCCC(=O)[O-])CC3)n2)cc1	ZINC000116346023	462755817	/nfs/dbraw/zinc/75/58/17/462755817.db2.gz	GATZSXBWGFFMQY-UHFFFAOYSA-N	-1	1	344.415	2.027	50	0		EEAAMM
CC(=O)c1ccc(OCCOCCSc2nc(C)cc(=O)[n-]2)cc1	ZINC000016362213	462974678	/nfs/dbraw/zinc/97/46/78/462974678.db2.gz	AWHDHNFFYUVDNL-UHFFFAOYSA-N	-1	1	348.424	2.469	50	0		EEAAMM
Cc1ccccc1N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1	ZINC000019145554	463014008	/nfs/dbraw/zinc/01/40/08/463014008.db2.gz	HGKXBCAMOVGFSO-UHFFFAOYSA-N	-1	1	348.406	2.194	50	0		EEAAMM
O=C(CCn1ccc2ccccc21)Nc1nc([C@H]2CCCO2)n[n-]1	ZINC000095479723	463093566	/nfs/dbraw/zinc/09/35/66/463093566.db2.gz	ASGMYRIUSFCIQB-CQSZACIVSA-N	-1	1	325.372	2.062	50	0		EEAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c1	ZINC000033307498	463420893	/nfs/dbraw/zinc/42/08/93/463420893.db2.gz	VVBIWSBVYZTLQM-UHFFFAOYSA-N	-1	1	328.397	2.436	50	0		EEAAMM
O=c1cc(CN2CCCC[C@H]2c2cccc(F)c2)nc2[n-]cnn21	ZINC000102567287	219210434	/nfs/dbraw/zinc/21/04/34/219210434.db2.gz	ZAPSUBIRQVPXBV-HNNXBMFYSA-N	-1	1	327.363	2.284	50	0		EEAAMM
COCCc1noc([C@H](C)NC(=O)Cc2ccc([O-])c(Cl)c2)n1	ZINC000299758781	258075878	/nfs/dbraw/zinc/07/58/78/258075878.db2.gz	PJCCSGCBSIMJOL-VIFPVBQESA-N	-1	1	339.779	2.037	50	0		EEAAMM
COc1ccc(NC(=O)CSc2nc(C)c(C)c(=O)[n-]2)c(OC)c1	ZINC000005155205	462648296	/nfs/dbraw/zinc/64/82/96/462648296.db2.gz	MIDLOODWHMJJTH-UHFFFAOYSA-N	-1	1	349.412	2.135	50	0		EEAAMM
O=S(=O)([N-]C[C@@](O)(c1ccco1)C1CC1)c1cc(F)ccc1F	ZINC000075154953	462686701	/nfs/dbraw/zinc/68/67/01/462686701.db2.gz	ZDSHGEBQZZGBJB-HNNXBMFYSA-N	-1	1	343.351	2.134	50	0		EEAAMM
CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccccc2)[n-]c1=O	ZINC000007421733	462735053	/nfs/dbraw/zinc/73/50/53/462735053.db2.gz	BGLPNVRSRYUJGC-UHFFFAOYSA-N	-1	1	337.383	2.387	50	0		EEAAMM
O=C(NC[C@H]1CCOc2ccccc2C1)c1cnc(C2CC2)[n-]c1=O	ZINC000097815142	463364582	/nfs/dbraw/zinc/36/45/82/463364582.db2.gz	WASGVLCABLRARG-LBPRGKRZSA-N	-1	1	339.395	2.019	50	0		EEAAMM
O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)CN3CCCCC3)C2)cc1	ZINC000072427382	1253493833	/nfs/dbraw/zinc/49/38/33/1253493833.db2.gz	JMYUNIHUURGDRN-INIZCTEOSA-N	-1	1	330.428	2.262	50	0		EEAAMM
CCCCOC(=O)N1CCc2c(nc(-c3cccnc3)[n-]c2=O)C1	ZINC000072146208	216032763	/nfs/dbraw/zinc/03/27/63/216032763.db2.gz	UFHFLGXPQCHHRT-UHFFFAOYSA-N	-1	1	328.372	2.127	50	0		EEAAMM
O=C([O-])[C@@H]1c2[nH]cnc2CCN1C(=O)c1cc(F)c(F)cc1Cl	ZINC000072436081	304162593	/nfs/dbraw/zinc/16/25/93/304162593.db2.gz	IXQCCAPDOZAXDT-LBPRGKRZSA-N	-1	1	341.701	2.166	50	0		EEAAMM
CCn1ncnc1[C@H](C)NC(=O)c1cnc(-c2cccs2)[n-]c1=O	ZINC000091444514	218007553	/nfs/dbraw/zinc/00/75/53/218007553.db2.gz	XXYGAKGNODOXMF-VIFPVBQESA-N	-1	1	344.400	2.013	50	0		EEAAMM
COc1ccc(C(=O)Nn2c(C)n[n-]c2=S)cc1Br	ZINC000009884846	211130052	/nfs/dbraw/zinc/13/00/52/211130052.db2.gz	APBDBMNQFUFOEP-UHFFFAOYSA-N	-1	1	343.206	2.404	50	0		EEAAMM
CC(C)OC(=O)[C@@H]1[C@H](c2cccc(F)c2)c2c(=O)[nH][n-]c2C[C@@]1(C)O	ZINC000004810104	210282779	/nfs/dbraw/zinc/28/27/79/210282779.db2.gz	SWJDUFLBWWEINV-QIIPPGSGSA-N	-1	1	348.374	2.261	50	0		EEAAMM
O=C(Nc1[n-]c(=O)ncc1I)c1ccccc1	ZINC000034440857	280056222	/nfs/dbraw/zinc/05/62/22/280056222.db2.gz	KUQWAXPYFIYBBY-UHFFFAOYSA-N	-1	1	341.108	2.039	50	0		EEAAMM
COC(=O)c1ccc(-c2ccc(/C=C3/NC(=S)[N-]C3=O)o2)cc1	ZINC000000136573	462543378	/nfs/dbraw/zinc/54/33/78/462543378.db2.gz	ZHFGXQHEXMNSEA-XYOKQWHBSA-N	-1	1	328.349	2.078	50	0		EEAAMM
O=C1NC(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc21	ZINC000000614227	462572773	/nfs/dbraw/zinc/57/27/73/462572773.db2.gz	AXASLJDRTUFIFO-UHFFFAOYSA-N	-1	1	336.756	2.024	50	0		EEAAMM
Cc1cc(OCC(=O)n2cc(C(=O)c3cc(C)ccc3[O-])cn2)no1	ZINC000014167202	462915724	/nfs/dbraw/zinc/91/57/24/462915724.db2.gz	BWPVCGPXDOVXRH-UHFFFAOYSA-N	-1	1	341.323	2.144	50	0		EEAAMM
CN1CCN(Cc2cccc(-c3nc(CC(=O)[O-])cs3)c2)CC1	ZINC000031945000	463358682	/nfs/dbraw/zinc/35/86/82/463358682.db2.gz	YNEOQNAEEXIQOM-UHFFFAOYSA-N	-1	1	331.441	2.185	50	0		EEAAMM
Cc1cc(C)n(-c2ccc(F)cc2CN2CCOC[C@@H](C(=O)[O-])C2)n1	ZINC001772813892	1410371511	/nfs/dbraw/zinc/37/15/11/1410371511.db2.gz	ZVPKFLUFYUMDCF-HNNXBMFYSA-N	-1	1	347.390	2.161	50	0		EEAAMM
CCC(CC)C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[n-]1)CCC2	ZINC000007422395	282154750	/nfs/dbraw/zinc/15/47/50/282154750.db2.gz	WWBUNPBEDGJBJP-UHFFFAOYSA-N	-1	1	329.404	2.127	50	0		EEAAMM
CCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCC[C@H]32)C1=O	ZINC000229969089	282795760	/nfs/dbraw/zinc/79/57/60/282795760.db2.gz	BBOXZIRYWIRVKD-KXBFYZLASA-N	-1	1	341.411	2.281	50	0	biogenic	EEAAMM
CCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C1=O	ZINC000009010121	276234050	/nfs/dbraw/zinc/23/40/50/276234050.db2.gz	BBOXZIRYWIRVKD-BEFAXECRSA-N	-1	1	341.411	2.076	50	0	biogenic	EEAAMM
COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(C)=O)OCO3)cc1	ZINC000000414577	462560477	/nfs/dbraw/zinc/56/04/77/462560477.db2.gz	WUAJBRFVWIQMSQ-UHFFFAOYSA-N	-1	1	349.364	2.427	50	0		EEAAMM
CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000014140430	462913302	/nfs/dbraw/zinc/91/33/02/462913302.db2.gz	MFDRODWXYPDJHJ-QMMMGPOBSA-N	-1	1	339.244	2.185	50	0		EEAAMM
CCOc1ccc(C[N-]S(=O)(=O)c2c(C)noc2C)cc1OC	ZINC000030432866	463299011	/nfs/dbraw/zinc/29/90/11/463299011.db2.gz	OHLNOCBWIGYQBX-UHFFFAOYSA-N	-1	1	340.401	2.177	50	0		EEAAMM
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)nc1	ZINC000032914197	463401957	/nfs/dbraw/zinc/40/19/57/463401957.db2.gz	CDLQPQKKBMVBIW-UHFFFAOYSA-N	-1	1	337.401	2.312	50	0		EEAAMM
Cc1ncc(CN(CC(=O)[O-])C(=O)Cc2ccc(C(C)C)cc2)[nH]1	ZINC001772701761	1179285014	/nfs/dbraw/zinc/28/50/14/1179285014.db2.gz	BFKHTZXUNNUXQC-UHFFFAOYSA-N	-1	1	329.400	2.497	50	0		EEAAMM
Cc1cc(C)n(-c2ccc(F)cc2CN2CCOC[C@H](C(=O)[O-])C2)n1	ZINC001772813893	1410371182	/nfs/dbraw/zinc/37/11/82/1410371182.db2.gz	ZVPKFLUFYUMDCF-OAHLLOKOSA-N	-1	1	347.390	2.161	50	0		EEAAMM
CO[C@H](C)c1nnc([N-]C(=O)c2csc(-c3ncccn3)n2)s1	ZINC001529147432	1121340300	/nfs/dbraw/zinc/34/03/00/1121340300.db2.gz	ZHAYKMGVJIXXEY-SSDOTTSWSA-N	-1	1	348.413	2.411	50	0		EEAAMM
O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(F)c3)cc3c2N1CCC3	ZINC000004570159	210223882	/nfs/dbraw/zinc/22/38/82/210223882.db2.gz	CZEMTYORKAMBCK-UHFFFAOYSA-N	-1	1	346.383	2.462	50	0		EEAAMM
CC(C)CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000036618226	213103762	/nfs/dbraw/zinc/10/37/62/213103762.db2.gz	IMQNJEMEXOXMSY-UHFFFAOYSA-N	-1	1	326.418	2.161	50	0		EEAAMM
COc1ccccc1Cn1c2nnc([S-])n2c2ccsc2c1=O	ZINC000021729885	212245362	/nfs/dbraw/zinc/24/53/62/212245362.db2.gz	LNOVJQBSZAULDK-UHFFFAOYSA-N	-1	1	344.421	2.451	50	0		EEAAMM
O=C(CSc1nc2[nH]cnc2c(=O)[n-]1)Nc1ccccc1Cl	ZINC000010003380	211139661	/nfs/dbraw/zinc/13/96/61/211139661.db2.gz	ZZHJMSHTLIKQHG-UHFFFAOYSA-N	-1	1	335.776	2.443	50	0		EEAAMM
O=C([O-])[C@H]1c2[nH]cnc2CCN1C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000095358493	218291876	/nfs/dbraw/zinc/29/18/76/218291876.db2.gz	XNRLDPZAACNPTO-CQSZACIVSA-N	-1	1	345.786	2.305	50	0		EEAAMM
Nc1cc(=O)[n-]c(SCc2noc(-c3ccc(Cl)cc3)n2)n1	ZINC000005045306	210372608	/nfs/dbraw/zinc/37/26/08/210372608.db2.gz	GBRPPTADYMMBQJ-UHFFFAOYSA-N	-1	1	335.776	2.348	50	0		EEAAMM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(C)c1	ZINC000005013482	210361236	/nfs/dbraw/zinc/36/12/36/210361236.db2.gz	NQISPVYNZZGYMN-UHFFFAOYSA-N	-1	1	345.424	2.295	50	0		EEAAMM
CC(NC1CCCCCC1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O	ZINC000102201865	277732103	/nfs/dbraw/zinc/73/21/03/277732103.db2.gz	NPPULRGXDUXAQC-WYMLVPIESA-N	-1	1	337.489	2.472	50	0		EEAAMM
CCOC(=O)[C@]([N-]c1ccccc1OC)(NC(=O)CC)C(F)(F)F	ZINC000001856270	462587199	/nfs/dbraw/zinc/58/71/99/462587199.db2.gz	WZXXNPYPOLXNDD-AWEZNQCLSA-N	-1	1	348.321	2.455	50	0		EEAAMM
O=C1CCc2cc([N-]S(=O)(=O)c3ccccc3)cc3c2N1CC3	ZINC000005153422	462646374	/nfs/dbraw/zinc/64/63/74/462646374.db2.gz	ZERMBNOBMFUDGN-UHFFFAOYSA-N	-1	1	328.393	2.323	50	0		EEAAMM
COCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010315086	462817031	/nfs/dbraw/zinc/81/70/31/462817031.db2.gz	JQVSFCAUDBQLPE-UHFFFAOYSA-N	-1	1	348.424	2.254	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)o1	ZINC000025276150	463115970	/nfs/dbraw/zinc/11/59/70/463115970.db2.gz	IYHLUNQQKBFMCA-ZETCQYMHSA-N	-1	1	348.833	2.394	50	0		EEAAMM
O=c1ccc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)ccc2[nH]1	ZINC000033077148	463410628	/nfs/dbraw/zinc/41/06/28/463410628.db2.gz	CMIXVFCREBPTQF-UHFFFAOYSA-N	-1	1	344.348	2.058	50	0		EEAAMM
C[N@@H+](CCC(=O)Nc1ccsc1C(=O)[O-])Cc1[nH]nc2c1CCC2	ZINC000252482180	464960690	/nfs/dbraw/zinc/96/06/90/464960690.db2.gz	DACKPRNGQQNGIV-UHFFFAOYSA-N	-1	1	348.428	2.119	50	0		EEAAMM
CN(CCC(=O)Nc1ccsc1C(=O)[O-])Cc1[nH]nc2c1CCC2	ZINC000252482180	464960693	/nfs/dbraw/zinc/96/06/93/464960693.db2.gz	DACKPRNGQQNGIV-UHFFFAOYSA-N	-1	1	348.428	2.119	50	0		EEAAMM
COC1CCN(c2ccc([N-]S(=O)(=O)c3cccnc3)cc2)CC1	ZINC000207984514	536758284	/nfs/dbraw/zinc/75/82/84/536758284.db2.gz	LUCLMCWDQJSDAP-UHFFFAOYSA-N	-1	1	347.440	2.498	50	0		EEAAMM
O=C(c1ncccc1[O-])N1CCN(c2nc3ccccc3s2)CC1	ZINC000072410600	216202407	/nfs/dbraw/zinc/20/24/07/216202407.db2.gz	UBZCYEYSMBQFEK-UHFFFAOYSA-N	-1	1	340.408	2.359	50	0		EEAAMM
Cc1cc(C)c2c(n1)O[C@](N1CCOCC1)(C(F)(F)F)C=C2[O-]	ZINC000019858617	301213600	/nfs/dbraw/zinc/21/36/00/301213600.db2.gz	FJGNHLFSXOXCBM-AWEZNQCLSA-N	-1	1	330.306	2.254	50	0		EEAAMM
CC(=NN=C1NC(=O)C(CC(=O)[O-])S1)c1ccc(Cl)cc1	ZINC000004380663	462632041	/nfs/dbraw/zinc/63/20/41/462632041.db2.gz	VYKAUZXSJNDTEF-SNVBAGLBSA-N	-1	1	325.777	2.126	50	0		EEAAMM
O=C([O-])CCCN1CCN(Cc2ccc(Br)s2)CC1	ZINC000116348735	462756183	/nfs/dbraw/zinc/75/61/83/462756183.db2.gz	HFEKFJRBBYNRHO-UHFFFAOYSA-N	-1	1	347.278	2.493	50	0		EEAAMM
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2C)o1	ZINC000032645896	463385070	/nfs/dbraw/zinc/38/50/70/463385070.db2.gz	UIYXQSRNYJBFRD-UHFFFAOYSA-N	-1	1	328.777	2.402	50	0		EEAAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)oc3c2)cc1	ZINC000033048754	463410418	/nfs/dbraw/zinc/41/04/18/463410418.db2.gz	MGSZNOPBGJBFKZ-UHFFFAOYSA-N	-1	1	334.353	2.321	50	0		EEAAMM
COc1ccc(NCc2nn(Cc3ccc(F)cc3)c(=O)[n-]2)cc1	ZINC000040287034	213289415	/nfs/dbraw/zinc/28/94/15/213289415.db2.gz	BEEFHFBAOTVIJM-UHFFFAOYSA-N	-1	1	328.347	2.380	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1NC(=O)c1ccc(Br)cc1	ZINC000000428294	209593945	/nfs/dbraw/zinc/59/39/45/209593945.db2.gz	XJBPJBJGYIIMLP-UHFFFAOYSA-N	-1	1	348.160	2.153	50	0		EEAAMM
CCc1cccc(C)c1NC(=O)CCc1c(C)nc2[n-]cnn2c1=O	ZINC000012409784	211371831	/nfs/dbraw/zinc/37/18/31/211371831.db2.gz	LWDRUFXYAAMYHH-UHFFFAOYSA-N	-1	1	339.399	2.168	50	0		EEAAMM
O=C(c1cnc(COc2ccccc2)[n-]c1=O)N1CCC(F)(F)CC1	ZINC000091625995	218034505	/nfs/dbraw/zinc/03/45/05/218034505.db2.gz	XLSFNZSDGBJLAF-UHFFFAOYSA-N	-1	1	349.337	2.220	50	0		EEAAMM
CN(C)c1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCC3)cc1	ZINC000004909163	210319035	/nfs/dbraw/zinc/31/90/35/210319035.db2.gz	GTQZDUBYSTZKNM-UHFFFAOYSA-N	-1	1	344.440	2.055	50	0		EEAAMM
Cc1[n-][nH]c(=O)c1CC(=O)N1CCC[C@H](COc2cccc(F)c2)C1	ZINC000299785434	258092547	/nfs/dbraw/zinc/09/25/47/258092547.db2.gz	ZIRQQKGKIHJTHB-ZDUSSCGKSA-N	-1	1	347.390	2.011	50	0		EEAAMM
CC[C@H](C)n1c([O-])c([C@H]2OCc3cnc(C)c(O)c32)c(=O)[nH]c1=S	ZINC000000487853	462566393	/nfs/dbraw/zinc/56/63/93/462566393.db2.gz	IAEWABWESGTFLQ-CPFSXVBKSA-N	-1	1	349.412	2.237	50	0	biogenic	EEAAMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2cccc(Cl)c2Cl)n1	ZINC000013522277	462893960	/nfs/dbraw/zinc/89/39/60/462893960.db2.gz	VXVPPOQEPBBIAK-UHFFFAOYSA-N	-1	1	345.211	2.390	50	0		EEAAMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)c1	ZINC000024256513	463081943	/nfs/dbraw/zinc/08/19/43/463081943.db2.gz	SUEYOORAMRJCJM-UHFFFAOYSA-N	-1	1	348.380	2.232	50	0		EEAAMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000121915041	463217352	/nfs/dbraw/zinc/21/73/52/463217352.db2.gz	XUNRRJFIQDDOGF-DJJJIMSYSA-N	-1	1	347.459	2.143	50	0		EEAAMM
O=C1C[C@@H](c2ccc(O)cc2)c2c(=O)[n-]c(N3CCCCC3)nc2N1	ZINC000828323370	1204932890	/nfs/dbraw/zinc/93/28/90/1204932890.db2.gz	OINDFSHWCNOKBQ-ZDUSSCGKSA-N	-1	1	340.383	2.352	50	0		EEAAMM
COc1cccc(-n2c(SCC(=O)[O-])nnc2-c2[nH]cnc2C)c1	ZINC000067804346	215216467	/nfs/dbraw/zinc/21/64/67/215216467.db2.gz	PLQOQARAHVLHPT-UHFFFAOYSA-N	-1	1	345.384	2.151	50	0		EEAAMM
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2nccs2)o1	ZINC000032914080	212870746	/nfs/dbraw/zinc/87/07/46/212870746.db2.gz	RCJRUJAOJVDLRS-UHFFFAOYSA-N	-1	1	329.403	2.065	50	0		EEAAMM
Cc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1	ZINC000032914364	212870194	/nfs/dbraw/zinc/87/01/94/212870194.db2.gz	NHWQEHZVHSOFDD-UHFFFAOYSA-N	-1	1	343.430	2.374	50	0		EEAAMM
Cc1n[nH]c(C)c1CN1CCC(Oc2ccc(C)nc2)(C(=O)[O-])CC1	ZINC000072454214	216241038	/nfs/dbraw/zinc/24/10/38/216241038.db2.gz	KTKNGPSRVBYSJK-UHFFFAOYSA-N	-1	1	344.415	2.228	50	0		EEAAMM
COC(=O)C[C@H](c1ccccc1F)c1c([O-])nc2ccccn2c1=O	ZINC000205969184	241042517	/nfs/dbraw/zinc/04/25/17/241042517.db2.gz	LNJMNSSPZXEEAR-GFCCVEGCSA-N	-1	1	342.326	2.234	50	0		EEAAMM
Cc1ccc(NC(=O)CSc2nc3[nH]cnc3c(=O)[n-]2)cc1F	ZINC000021807804	212253826	/nfs/dbraw/zinc/25/38/26/212253826.db2.gz	OFIJVQBFYYLISW-UHFFFAOYSA-N	-1	1	333.348	2.237	50	0		EEAAMM
O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCC1	ZINC000016061583	211881041	/nfs/dbraw/zinc/88/10/41/211881041.db2.gz	RLGXOBGVDZEVCD-UHFFFAOYSA-N	-1	1	334.372	2.472	50	0		EEAAMM
COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000012526175	211398422	/nfs/dbraw/zinc/39/84/22/211398422.db2.gz	UTUIHWMKZTTWDH-UHFFFAOYSA-N	-1	1	349.364	2.281	50	0		EEAAMM
O=C(CCc1ccc2c(c1)OCO2)OCC(=O)c1ccc([O-])cc1O	ZINC000010740735	211187484	/nfs/dbraw/zinc/18/74/84/211187484.db2.gz	BFYHJDZFDYWBMF-UHFFFAOYSA-N	-1	1	344.319	2.185	50	0		EEAAMM
COc1cccc(Cl)c1[C@H](C(=O)[O-])N(C)CCc1cnn(C)c1	ZINC000095375258	218307916	/nfs/dbraw/zinc/30/79/16/218307916.db2.gz	MHLWVLIFRLHQEB-OAHLLOKOSA-N	-1	1	337.807	2.382	50	0		EEAAMM
CN1CCN([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)C(=O)[O-])CC1	ZINC000020432437	258057119	/nfs/dbraw/zinc/05/71/19/258057119.db2.gz	DUFAIHGZAFZYTC-MRXNPFEDSA-N	-1	1	332.444	2.258	50	0		EEAAMM
COC(=O)c1cn([N-]C(=O)c2cccs2)c(=O)c2ccccc12	ZINC000000213029	462548867	/nfs/dbraw/zinc/54/88/67/462548867.db2.gz	XDHCKTJTIHLNGV-UHFFFAOYSA-N	-1	1	328.349	2.234	50	0		EEAAMM
COc1cccc(C[C@@H](C(=O)Nc2ccccc2C)c2nn[n-]n2)c1	ZINC000000418765	462560219	/nfs/dbraw/zinc/56/02/19/462560219.db2.gz	KJKSNLIXWCGNFR-OAHLLOKOSA-N	-1	1	337.383	2.482	50	0		EEAAMM
C=C1N=C(SCC(=O)[O-])N[C@H](c2ccccc2)C1C(=O)OCC	ZINC000003882190	462624629	/nfs/dbraw/zinc/62/46/29/462624629.db2.gz	PIXSYPRIZYBGET-CQSZACIVSA-N	-1	1	334.397	2.342	50	0		EEAAMM
COc1ccc(NC(=O)CSc2nc(C)c(C)c(=O)[n-]2)cc1OC	ZINC000005155206	462648191	/nfs/dbraw/zinc/64/81/91/462648191.db2.gz	GYRSRUICJFIMRY-UHFFFAOYSA-N	-1	1	349.412	2.135	50	0		EEAAMM
CCCc1cnc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)nc1	ZINC000065451936	462773507	/nfs/dbraw/zinc/77/35/07/462773507.db2.gz	DZZCFHIBXYLPQM-UHFFFAOYSA-N	-1	1	340.427	2.450	50	0		EEAAMM
COc1ccc(C)cc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000013195123	462886702	/nfs/dbraw/zinc/88/67/02/462886702.db2.gz	PLMCVIAYJYSORE-UHFFFAOYSA-N	-1	1	335.381	2.432	50	0		EEAAMM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2)cc1	ZINC000015245342	462944566	/nfs/dbraw/zinc/94/45/66/462944566.db2.gz	WWIGIUYADZKREG-UHFFFAOYSA-N	-1	1	349.364	2.061	50	0		EEAAMM
Cc1ccc(-n2nnnc2CSc2nc(C)cc(=O)[n-]2)c(C)c1	ZINC000016661570	462987688	/nfs/dbraw/zinc/98/76/88/462987688.db2.gz	ICPZYTHFGCIKDW-UHFFFAOYSA-N	-1	1	328.401	2.375	50	0		EEAAMM
Cc1cccc2sc(NC(=O)CSc3nc(N)cc(=O)[n-]3)nc21	ZINC000017070426	462995053	/nfs/dbraw/zinc/99/50/53/462995053.db2.gz	RQPLRQSPBIKAKI-UHFFFAOYSA-N	-1	1	347.425	2.001	50	0		EEAAMM
Nc1nc(N2CCCCC2)[n-]c(=O)c1C(=S)Nc1ccccc1	ZINC000030874331	463314549	/nfs/dbraw/zinc/31/45/49/463314549.db2.gz	IKJGWYPGFKWOKF-UHFFFAOYSA-N	-1	1	329.429	2.130	50	0		EEAAMM
O=C(Cn1cnc2c3ccccc3oc2c1=O)c1ccc([O-])cc1O	ZINC000031744256	463352245	/nfs/dbraw/zinc/35/22/45/463352245.db2.gz	RHQAOUQCXSAWDW-UHFFFAOYSA-N	-1	1	336.303	2.437	50	0		EEAAMM
C=CCn1c([O-])c(C(=O)NCc2ccccn2)c(=O)c2ccccc21	ZINC000005685799	1179381464	/nfs/dbraw/zinc/38/14/64/1179381464.db2.gz	IRXGDIBMBUPRQX-UHFFFAOYSA-N	-1	1	335.363	2.218	50	0		EEAAMM
C[N@@H+]1CCC[C@]2(C(=O)[O-])CCN(Cc3cccc([O-])c3Cl)C[C@@H]12	ZINC001529174997	1121354741	/nfs/dbraw/zinc/35/47/41/1121354741.db2.gz	ZPXZRTCIBZHNIX-PBHICJAKSA-N	-1	1	338.835	2.417	50	0		EEAAMM
C[N@H+]1CCC[C@]2(C(=O)[O-])CCN(Cc3cccc([O-])c3Cl)C[C@@H]12	ZINC001529174997	1121354750	/nfs/dbraw/zinc/35/47/50/1121354750.db2.gz	ZPXZRTCIBZHNIX-PBHICJAKSA-N	-1	1	338.835	2.417	50	0		EEAAMM
CO[C@H](C)c1nnc([N-]C(=O)c2csc(CN(C)C)n2)s1	ZINC001529184640	1121360389	/nfs/dbraw/zinc/36/03/89/1121360389.db2.gz	CFKHQVAQSGLJET-SSDOTTSWSA-N	-1	1	327.435	2.016	50	0		EEAAMM
O=C(Cc1ccc([O-])c(Cl)c1)N1CCC(O)(c2cccnc2)CC1	ZINC000215370686	241123941	/nfs/dbraw/zinc/12/39/41/241123941.db2.gz	BBMMJPDWBLANPX-UHFFFAOYSA-N	-1	1	346.814	2.493	50	0		EEAAMM
Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000012389173	211365497	/nfs/dbraw/zinc/36/54/97/211365497.db2.gz	AANVMFAWWSFUCC-UHFFFAOYSA-N	-1	1	349.753	2.090	50	0		EEAAMM
O=C1CCC(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000012324090	211348121	/nfs/dbraw/zinc/34/81/21/211348121.db2.gz	PVPNEOFHNOJKAE-UHFFFAOYSA-N	-1	1	344.392	2.136	50	0		EEAAMM
C[C@@H](NC(=O)CSc1nc2c(c(=O)[n-]1)CCC2)c1ccccc1	ZINC000011905469	211266170	/nfs/dbraw/zinc/26/61/70/211266170.db2.gz	ANVUVBPEMRNFDI-LLVKDONJSA-N	-1	1	329.425	2.228	50	0		EEAAMM
COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(Cc3nccs3)C[C@H]21	ZINC000095392476	218324355	/nfs/dbraw/zinc/32/43/55/218324355.db2.gz	NAQOVQKUONYZLN-CXAGYDPISA-N	-1	1	346.408	2.215	50	0		EEAAMM
O=C(Cc1c([O-])[nH]c2ccccc2c1=O)NCc1cccc(F)c1	ZINC000018143600	258056797	/nfs/dbraw/zinc/05/67/97/258056797.db2.gz	FAQNXGMNIPOCQZ-UHFFFAOYSA-N	-1	1	326.327	2.232	50	0		EEAAMM
CN(C(=O)c1ccc(S(=O)(=O)[N-]C2CC2)o1)C1CCCCC1	ZINC000032941732	258059165	/nfs/dbraw/zinc/05/91/65/258059165.db2.gz	UMROGALYYHJCIY-UHFFFAOYSA-N	-1	1	326.418	2.125	50	0		EEAAMM
CC(C)c1cc(C(=O)N2C[C@H](CC(=O)[O-])[C@H](c3c[nH]nn3)C2)cs1	ZINC000299756195	258075000	/nfs/dbraw/zinc/07/50/00/258075000.db2.gz	JMJKMMSUSBLWOQ-CMPLNLGQSA-N	-1	1	348.428	2.320	50	0		EEAAMM
CC(C)c1cc(C(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cnn[nH]3)C2)cs1	ZINC000299756195	258075001	/nfs/dbraw/zinc/07/50/01/258075001.db2.gz	JMJKMMSUSBLWOQ-CMPLNLGQSA-N	-1	1	348.428	2.320	50	0		EEAAMM
CC[C@@]1(C)Cc2c(sc3c2-c2ncnn2-c2nnc([S-])n2-3)CO1	ZINC000006358854	276538994	/nfs/dbraw/zinc/53/89/94/276538994.db2.gz	CFBKGRATCBFFOX-AWEZNQCLSA-N	-1	1	346.441	2.420	50	0		EEAAMM
COc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000000384649	462558129	/nfs/dbraw/zinc/55/81/29/462558129.db2.gz	LJUPOHFTVIFJAF-UHFFFAOYSA-N	-1	1	325.317	2.333	50	0		EEAAMM
CC[C@H](C)n1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)c(=O)[nH]c1=S	ZINC000000487851	462566335	/nfs/dbraw/zinc/56/63/35/462566335.db2.gz	IAEWABWESGTFLQ-WPPNPWJKSA-N	-1	1	349.412	2.237	50	0	biogenic	EEAAMM
Cc1[n-][nH]c(=O)c1CC(=O)N[C@@H](C)c1nc(-c2ccccc2C)no1	ZINC000534635228	485550081	/nfs/dbraw/zinc/55/00/81/485550081.db2.gz	NLEDEFPWSUPWBS-NSHDSACASA-N	-1	1	341.371	2.202	50	0		EEAAMM
Cc1nc2n(n1)-c1nnc([S-])n1-c1sc3c(c1-2)CC(C)(C)OC3	ZINC000006083087	282097171	/nfs/dbraw/zinc/09/71/71/282097171.db2.gz	UCGYGMLJOPEADH-UHFFFAOYSA-N	-1	1	346.441	2.338	50	0		EEAAMM
O=C(Nc1nn2c([n-]1)nc(-c1ccccc1)cc2=O)c1ccccc1F	ZINC000100650719	219103417	/nfs/dbraw/zinc/10/34/17/219103417.db2.gz	OBQQNVNRWSOPIN-UHFFFAOYSA-N	-1	1	349.325	2.476	50	0		EEAAMM
CCCCC([O-])=C1C(=O)C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1=O	ZINC000100758250	219105998	/nfs/dbraw/zinc/10/59/98/219105998.db2.gz	XCLFWCXQIKELRX-RRQGHBQHSA-N	-1	1	330.380	2.477	50	0	biogenic	EEAAMM
CCCCC(=O)C1=C([O-])C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1=O	ZINC000100758250	219106000	/nfs/dbraw/zinc/10/60/00/219106000.db2.gz	XCLFWCXQIKELRX-RRQGHBQHSA-N	-1	1	330.380	2.477	50	0	biogenic	EEAAMM
Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000035536716	213036107	/nfs/dbraw/zinc/03/61/07/213036107.db2.gz	IHRAPVPHELOIMC-UHFFFAOYSA-N	-1	1	349.387	2.125	50	0		EEAAMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1	ZINC000022842566	212327535	/nfs/dbraw/zinc/32/75/35/212327535.db2.gz	ICIMRAMLAGHBRM-UHFFFAOYSA-N	-1	1	343.401	2.338	50	0		EEAAMM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000000793253	462573362	/nfs/dbraw/zinc/57/33/62/462573362.db2.gz	VNQMSVYTWZOERT-UHFFFAOYSA-N	-1	1	333.365	2.461	50	0		EEAAMM
CCCCn1c([C@@H]2CCCN(S(=O)(=O)CC)C2)n[n-]c1=S	ZINC000013322637	462890035	/nfs/dbraw/zinc/89/00/35/462890035.db2.gz	WIELFPNKUNBQDD-LLVKDONJSA-N	-1	1	332.495	2.270	50	0		EEAAMM
CCCCn1c([C@H]2CCCN(S(=O)(=O)CC)C2)n[n-]c1=S	ZINC000013322639	462890377	/nfs/dbraw/zinc/89/03/77/462890377.db2.gz	WIELFPNKUNBQDD-NSHDSACASA-N	-1	1	332.495	2.270	50	0		EEAAMM
O=C(NCCc1ccccn1)c1cnc(-c2cccs2)[n-]c1=O	ZINC000077456347	462989324	/nfs/dbraw/zinc/98/93/24/462989324.db2.gz	LIHARIPLEGYBOA-UHFFFAOYSA-N	-1	1	326.381	2.278	50	0		EEAAMM
CCc1cc(C(=O)Nc2nc(Cc3n[n-]c(=S)n3C)cs2)n[nH]1	ZINC000127105611	463682528	/nfs/dbraw/zinc/68/25/28/463682528.db2.gz	KTPJHMZAYARTAJ-UHFFFAOYSA-N	-1	1	349.445	2.063	50	0		EEAAMM
O=C(CN1CCN(c2ccccc2F)CC1)c1ccc([O-])cc1O	ZINC000036056619	526782649	/nfs/dbraw/zinc/78/26/49/526782649.db2.gz	YHSBZUSXOVZDKW-UHFFFAOYSA-N	-1	1	330.359	2.242	50	0		EEAAMM
O=C(Cc1cc(F)ccc1F)Nc1ccc(Oc2nnn[n-]2)cc1	ZINC000827848302	800527303	/nfs/dbraw/zinc/52/73/03/800527303.db2.gz	HMRBONOSEISAMQ-UHFFFAOYSA-N	-1	1	331.282	2.451	50	0		EEAAMM
O=C(Cc1cc(F)ccc1F)Nc1ccc(Oc2nn[n-]n2)cc1	ZINC000827848302	800527311	/nfs/dbraw/zinc/52/73/11/800527311.db2.gz	HMRBONOSEISAMQ-UHFFFAOYSA-N	-1	1	331.282	2.451	50	0		EEAAMM
Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000007418876	210797343	/nfs/dbraw/zinc/79/73/43/210797343.db2.gz	JNNOFRXKWRPQAI-UHFFFAOYSA-N	-1	1	345.309	2.103	50	0		EEAAMM
COc1cc(/N=c2\oc3cc([O-])ccc3cc2C(N)=O)cc(OC)c1	ZINC000067298277	277795263	/nfs/dbraw/zinc/79/52/63/277795263.db2.gz	APXXZHLJXJHUGA-ZZEZOPTASA-N	-1	1	340.335	2.487	50	0		EEAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3=O)cc1OC	ZINC000000106900	462542540	/nfs/dbraw/zinc/54/25/40/462542540.db2.gz	OFEKBIRTKUARJL-UHFFFAOYSA-N	-1	1	349.364	2.175	50	0		EEAAMM
CN1CCN(c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)CC1	ZINC000000386739	462558170	/nfs/dbraw/zinc/55/81/70/462558170.db2.gz	SFOOBBBUNQDHQD-SJORKVTESA-N	-1	1	343.427	2.044	50	0		EEAAMM
Cc1cc([O-])c2c(C)c(CC(=O)NCc3ccccn3)c(=O)oc2c1	ZINC000005345188	462655925	/nfs/dbraw/zinc/65/59/25/462655925.db2.gz	MFXJIMLUBJUFKC-UHFFFAOYSA-N	-1	1	338.363	2.369	50	0		EEAAMM
C[C@H](NC(=O)CCc1n[nH]c(=S)[n-]c1=O)c1ccc(F)cc1F	ZINC000012923026	462876328	/nfs/dbraw/zinc/87/63/28/462876328.db2.gz	FCNOKRSNKDDTSW-ZETCQYMHSA-N	-1	1	340.355	2.328	50	0		EEAAMM
COc1ccc(Cl)cc1NC(=O)CSc1nc(O)cc(=O)[n-]1	ZINC000018054854	463003819	/nfs/dbraw/zinc/00/38/19/463003819.db2.gz	FJEREPZGQGULTH-UHFFFAOYSA-N	-1	1	341.776	2.281	50	0		EEAAMM
COc1ccc(NC(=O)N2CC=C(C)CC2)cc1[N-]S(C)(=O)=O	ZINC000095500783	463094809	/nfs/dbraw/zinc/09/48/09/463094809.db2.gz	HDPZOUZWSSAUQS-UHFFFAOYSA-N	-1	1	339.417	2.251	50	0		EEAAMM
COc1cc(NC(=O)/C=C/c2cccnc2)ccc1[N-]S(C)(=O)=O	ZINC000033070319	463411121	/nfs/dbraw/zinc/41/11/21/463411121.db2.gz	QCWXTQJPSBYYFC-VMPITWQZSA-N	-1	1	347.396	2.114	50	0		EEAAMM
O=C([O-])c1n[nH]cc1C[N@H+]1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1	ZINC000095380133	218312703	/nfs/dbraw/zinc/31/27/03/218312703.db2.gz	LFPNPGPMISDMNU-CYBMUJFWSA-N	-1	1	329.356	2.186	50	0		EEAAMM
O=C1COc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2N1	ZINC000011908663	257859928	/nfs/dbraw/zinc/85/99/28/257859928.db2.gz	RTCXKBQKCWTUAA-UHFFFAOYSA-N	-1	1	338.772	2.472	50	0		EEAAMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cn1	ZINC000007056602	462720156	/nfs/dbraw/zinc/72/01/56/462720156.db2.gz	VUGCFTOARRFINU-UHFFFAOYSA-N	-1	1	336.369	2.052	50	0		EEAAMM
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cnc(C2CC2)[n-]c1=O	ZINC000077342711	462970686	/nfs/dbraw/zinc/97/06/86/462970686.db2.gz	KDBAKNLDSOMBKV-UHFFFAOYSA-N	-1	1	349.394	2.105	50	0		EEAAMM
CCS(=O)(=O)c1ccc([O-])c(-n2ccnc2-c2ccc(CO)o2)c1	ZINC000077337463	462971474	/nfs/dbraw/zinc/97/14/74/462971474.db2.gz	JSOHDLBUIUHDLC-UHFFFAOYSA-N	-1	1	348.380	2.124	50	0		EEAAMM
CN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccs2)CC1	ZINC000023761587	463071259	/nfs/dbraw/zinc/07/12/59/463071259.db2.gz	VVACBPNMZVWGOE-UHFFFAOYSA-N	-1	1	337.470	2.301	50	0		EEAAMM
O=C(NCc1nn[n-]n1)c1ccc2nc(C3CCCCC3)oc2c1	ZINC000095522333	463102345	/nfs/dbraw/zinc/10/23/45/463102345.db2.gz	PRGUTTAPEIVXQH-UHFFFAOYSA-N	-1	1	326.360	2.319	50	0		EEAAMM
Cc1noc(-c2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2)n1	ZINC000032753049	463392781	/nfs/dbraw/zinc/39/27/81/463392781.db2.gz	YIRXWHXFZCOXAT-UHFFFAOYSA-N	-1	1	338.249	2.434	50	0		EEAAMM
COC(=O)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(N)=O)c1	ZINC000067298299	215131698	/nfs/dbraw/zinc/13/16/98/215131698.db2.gz	GHJJTTCUKVQYER-JZJYNLBNSA-N	-1	1	338.319	2.256	50	0		EEAAMM
O=C([O-])C1(Oc2ccccc2F)CCN(Cc2ccc(CO)o2)CC1	ZINC000072433482	216228195	/nfs/dbraw/zinc/22/81/95/216228195.db2.gz	QEYRATKIORBANG-UHFFFAOYSA-N	-1	1	349.358	2.409	50	0		EEAAMM
O=C(c1cc(=O)[n-]o1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1	ZINC000215918610	241154510	/nfs/dbraw/zinc/15/45/10/241154510.db2.gz	YHQCTYUESYIWKO-UHFFFAOYSA-N	-1	1	344.758	2.210	50	0		EEAAMM
O=C([O-])Cn1ccc([C@@H]2CCC[N@@H+](Cc3ccccc3C(=O)[O-])C2)n1	ZINC000426396328	241275209	/nfs/dbraw/zinc/27/52/09/241275209.db2.gz	ASHAFMZYNUERLJ-CQSZACIVSA-N	-1	1	343.383	2.046	50	0		EEAAMM
CC[C@@H](C)N1CNc2c(c(=O)[n-]c(=S)n2Cc2cccnc2)C1	ZINC000020567739	212148312	/nfs/dbraw/zinc/14/83/12/212148312.db2.gz	BNBMTBAKAMLZDY-LLVKDONJSA-N	-1	1	331.445	2.333	50	0		EEAAMM
O=C(N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1cnc(C2CC2)[n-]c1=O	ZINC000253535049	244005816	/nfs/dbraw/zinc/00/58/16/244005816.db2.gz	GFVISQGIJVRHHF-IJEWVQPXSA-N	-1	1	339.395	2.302	50	0		EEAAMM
COc1ccc(C)cc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000005234076	210418377	/nfs/dbraw/zinc/41/83/77/210418377.db2.gz	JDZGSLWJRKIPJN-UHFFFAOYSA-N	-1	1	337.353	2.208	50	0		EEAAMM
Cc1ccccc1[C@@H]1CN(Cc2nncn2C(C)C)C[C@H]1C(=O)[O-]	ZINC000091587335	302155225	/nfs/dbraw/zinc/15/52/25/302155225.db2.gz	RFVLXOSQOZWJSC-JKSUJKDBSA-N	-1	1	328.416	2.468	50	0		EEAAMM
COc1ccccc1C(=O)[N-]C(=O)CSC(=S)N1CCCC1	ZINC000005287712	462653926	/nfs/dbraw/zinc/65/39/26/462653926.db2.gz	PWLAICDJFYTIMS-UHFFFAOYSA-N	-1	1	338.454	2.066	50	0		EEAAMM
O=C(CSc1nnc2n1CCCCC2)[N-]C(=O)c1ccccc1	ZINC000006097713	462677340	/nfs/dbraw/zinc/67/73/40/462677340.db2.gz	QETCMYWVMFEIBM-UHFFFAOYSA-N	-1	1	330.413	2.053	50	0		EEAAMM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccccc1Br	ZINC000006706470	462698874	/nfs/dbraw/zinc/69/88/74/462698874.db2.gz	AJZBRFCOAQOVBU-UHFFFAOYSA-N	-1	1	330.207	2.292	50	0		EEAAMM
Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCOCC2)c1	ZINC000014095195	462909945	/nfs/dbraw/zinc/90/99/45/462909945.db2.gz	FKJMLDBTGNOWEO-UHFFFAOYSA-N	-1	1	332.429	2.165	50	0		EEAAMM
O=C(NN1CC(=O)[N-]C1=O)c1cc(-c2ccccc2)nc2ccccc21	ZINC000025612458	463130981	/nfs/dbraw/zinc/13/09/81/463130981.db2.gz	KCSQKFKDKKFKEE-UHFFFAOYSA-N	-1	1	346.346	2.098	50	0		EEAAMM
C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C2CC2)o1)c1ccccc1	ZINC000032633530	463384345	/nfs/dbraw/zinc/38/43/45/463384345.db2.gz	FDZGPODTIAURRQ-NSHDSACASA-N	-1	1	334.397	2.211	50	0		EEAAMM