smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC(=O)N1CCCC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000023242587	202100912	/nfs/dbraw/zinc/10/09/12/202100912.db2.gz	LEAMAOIDFQKWNQ-UHFFFAOYSA-N	-1	3	339.417	0.753	50	0		ECAAHM
O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(CCOCCO)CC1	ZINC000032095517	202221587	/nfs/dbraw/zinc/22/15/87/202221587.db2.gz	JTEBYJQRSKVCNI-QGZVFWFLSA-N	-1	3	347.415	0.920	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(C)=O)cn1	ZINC000408522463	283637580	/nfs/dbraw/zinc/63/75/80/283637580.db2.gz	JMHKOWHYLXOCDH-GFCCVEGCSA-N	-1	3	325.390	0.573	50	0		ECAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N(Cc1ccccn1)C[C@@H]1CCCO1	ZINC000215904052	241154305	/nfs/dbraw/zinc/15/43/05/241154305.db2.gz	LFWVJDWRGLCQBB-LBPRGKRZSA-N	-1	3	330.344	0.280	50	0		ECAAHM
O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1c[nH]c(=O)[n-]c1=O	ZINC000253535279	244008576	/nfs/dbraw/zinc/00/85/76/244008576.db2.gz	ODJQJYOHULHNHS-NDMJEZRESA-N	-1	3	330.344	0.395	50	0		ECAAHM
COc1cc(N[C@H]2C[C@@H](c3cc(=O)[n-]c(N(C)C)n3)C2)nc(N)n1	ZINC000253535365	244008813	/nfs/dbraw/zinc/00/88/13/244008813.db2.gz	NCLJZJYIXRZEOV-DTORHVGOSA-N	-1	3	331.380	0.987	50	0		ECAAHM
Cc1nc2ncccn2c1C(=O)N[C@H]1C[C@@H](c2cc(=O)[n-]c(N)n2)C1	ZINC000253535551	244010174	/nfs/dbraw/zinc/01/01/74/244010174.db2.gz	BUPHMJGYESWROW-AOOOYVTPSA-N	-1	3	339.359	0.792	50	0		ECAAHM
Nc1nc2c(c(=O)[n-]1)CCN(C(=O)CCc1ccc3c(c1)OCO3)C2	ZINC000072153190	203175348	/nfs/dbraw/zinc/17/53/48/203175348.db2.gz	WANOPONEQOCNRN-UHFFFAOYSA-N	-1	3	342.355	0.598	50	0		ECAAHM
CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)Cc1cnc(C)[n-]c1=O)CC2	ZINC000091563132	203638855	/nfs/dbraw/zinc/63/88/55/203638855.db2.gz	CYVYAQHTDVGSNE-CJNGLKHVSA-N	-1	3	335.404	0.399	50	0		ECAAHM
Cc1ccc(C)c(N2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2)c1	ZINC000156866626	206102973	/nfs/dbraw/zinc/10/29/73/206102973.db2.gz	KNIGGMINTQSLGL-AWEZNQCLSA-N	-1	3	344.415	0.940	50	0		ECAAHM
CS(=O)(=O)N1CCC[C@H](C(=O)N2NC=C[C@]2([O-])C(F)(F)F)C1	ZINC000103155040	206398310	/nfs/dbraw/zinc/39/83/10/206398310.db2.gz	PLFJVOHFGLTJOV-WPRPVWTQSA-N	-1	3	343.327	0.127	50	0		ECAAHM
CN(CC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)C[C@H]1O	ZINC000328596206	258042645	/nfs/dbraw/zinc/04/26/45/258042645.db2.gz	WRNNBDRFZRMLRR-OWCLPIDISA-N	-1	3	332.400	0.695	50	0		ECAAHM
Cc1cc(CC(=O)N2CCc3nc(N(C)C)[n-]c(=O)c3CC2)on1	ZINC000299791000	258096611	/nfs/dbraw/zinc/09/66/11/258096611.db2.gz	DDFHGOFJEHBBSS-UHFFFAOYSA-N	-1	3	331.376	0.715	50	0		ECAAHM
Cc1noc(C)c1CC(=O)N1CCc2c(nc(N(C)C)[n-]c2=O)C1	ZINC000299800244	258103305	/nfs/dbraw/zinc/10/33/05/258103305.db2.gz	WGWDMSDBNHYFFB-UHFFFAOYSA-N	-1	3	331.376	0.980	50	0		ECAAHM
Cc1nc(N2CCCC2)ncc1-c1cc(=O)[n-]c(N2CCOCC2)n1	ZINC000035655400	132390286	/nfs/dbraw/zinc/39/02/86/132390286.db2.gz	DZIOIFSSBYIGIF-UHFFFAOYSA-N	-1	3	342.403	0.972	50	0		ECAAHM
N[C@@H](CCC(=O)[O-])C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O	ZINC000082107008	295294569	/nfs/dbraw/zinc/29/45/69/295294569.db2.gz	SADRFVNYTJKPQS-NSHDSACASA-N	-1	3	346.387	0.604	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1cccc(Cn2ccnc2)c1	ZINC000042044864	436295482	/nfs/dbraw/zinc/29/54/82/436295482.db2.gz	VFJDNTWERZITHX-AWEZNQCLSA-N	-1	3	341.371	0.536	50	0		ECAAHM
C[N-]S(=O)(=O)c1cc(-c2nc(N)n[nH]2)ccc1Br	ZINC000044124880	436339043	/nfs/dbraw/zinc/33/90/43/436339043.db2.gz	RHQUJDPUOXZHFI-UHFFFAOYSA-N	-1	3	332.183	0.725	50	0		ECAAHM
CCc1nc(C)c(CC(=O)N2CCC3(CC2)OCCC[C@H]3O)c(=O)[n-]1	ZINC000091445055	436451274	/nfs/dbraw/zinc/45/12/74/436451274.db2.gz	AAOVIMNHWCTWNA-CQSZACIVSA-N	-1	3	349.431	0.716	50	0		ECAAHM
O=C(NC[C@@H](O)c1ccccn1)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000091593183	436455615	/nfs/dbraw/zinc/45/56/15/436455615.db2.gz	MLTLGJHMMCIIOK-CQSZACIVSA-N	-1	3	340.339	0.601	50	0		ECAAHM
Cc1cccnc1CN1C[C@H]2CN(S(C)(=O)=O)C[C@@]2(C(=O)[O-])C1	ZINC000091643595	436456761	/nfs/dbraw/zinc/45/67/61/436456761.db2.gz	RCOUWSVAEKDNNF-WFASDCNBSA-N	-1	3	339.417	0.168	50	0		ECAAHM
CCc1nc(C)c(CC(=O)N2CC[C@]3(C2)CCCN(C)C3=O)c(=O)[n-]1	ZINC000091943322	436464214	/nfs/dbraw/zinc/46/42/14/436464214.db2.gz	HPCQFYLKIHIKQS-SFHVURJKSA-N	-1	3	346.431	0.654	50	0		ECAAHM
C[C@@]1(c2ccccc2)CCCN(S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)C1	ZINC000092002231	436465523	/nfs/dbraw/zinc/46/55/23/436465523.db2.gz	JGDUKYADLZFHLC-MRXNPFEDSA-N	-1	3	349.412	0.806	50	0		ECAAHM
Cc1nc(CCNC(=O)[C@H]2Cc3ccccc3CN2C)cc(=O)[n-]1	ZINC000095367550	436491324	/nfs/dbraw/zinc/49/13/24/436491324.db2.gz	GCLSRYVWFJBNID-MRXNPFEDSA-N	-1	3	326.400	0.794	50	0		ECAAHM
Cc1nc(CCNC(=O)c2cnc(-c3cccnc3)nc2)cc(=O)[n-]1	ZINC000095374177	436491525	/nfs/dbraw/zinc/49/15/25/436491525.db2.gz	FWXTZBSKVJQXTN-UHFFFAOYSA-N	-1	3	336.355	0.903	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-][C@@H](CO)Cc2c[nH]c3ccccc23)c1	ZINC000096483481	436532091	/nfs/dbraw/zinc/53/20/91/436532091.db2.gz	VXAZEXPDOLUPOD-GFCCVEGCSA-N	-1	3	334.401	0.783	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCN(Cc3ccco3)CC1)[n-]c2=O	ZINC000054417928	436550519	/nfs/dbraw/zinc/55/05/19/436550519.db2.gz	LMGYXCUYXRZKCU-UHFFFAOYSA-N	-1	3	328.376	0.567	50	0		ECAAHM
CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl	ZINC000058325598	436624149	/nfs/dbraw/zinc/62/41/49/436624149.db2.gz	OXAIRRWSEUBQMY-QMMMGPOBSA-N	-1	3	348.808	0.930	50	0		ECAAHM
CCc1nc(C)c(CC(=O)NC[C@H]2CC(=O)N(C(C)C)C2)c(=O)[n-]1	ZINC000221322296	436701710	/nfs/dbraw/zinc/70/17/10/436701710.db2.gz	XJBSWRXZLNTMAX-GFCCVEGCSA-N	-1	3	334.420	0.556	50	0		ECAAHM
COc1ccccc1OCC(=O)N1CC[C@@H](n2c([O-])coc2=O)C1	ZINC000225699805	436713338	/nfs/dbraw/zinc/71/33/38/436713338.db2.gz	IKFAPXFYAUWMSR-LLVKDONJSA-N	-1	3	334.328	0.654	50	0		ECAAHM
COc1cccc(C(=O)N2CC[C@H](n3c([O-])coc3=O)C2)c1OC	ZINC000225699718	436713469	/nfs/dbraw/zinc/71/34/69/436713469.db2.gz	RWGOMDSWIWWSNW-JTQLQIEISA-N	-1	3	334.328	0.897	50	0		ECAAHM
O=C([C@H]1COc2ccccc2O1)N1CC[C@@H](n2c([O-])coc2=O)C1	ZINC000225699673	436713496	/nfs/dbraw/zinc/71/34/96/436713496.db2.gz	GVMDPQZIMNVQPO-ZWNOBZJWSA-N	-1	3	332.312	0.406	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@@H](C)C2)cn1C	ZINC000065606572	436669528	/nfs/dbraw/zinc/66/95/28/436669528.db2.gz	DRMDYYPDNWTTTJ-LLVKDONJSA-N	-1	3	328.438	0.655	50	0		ECAAHM
CCc1cc(N2CCN(C)[C@H](C(=O)[O-])C2)nc(N2CCOCC2)n1	ZINC000067677926	436720406	/nfs/dbraw/zinc/72/04/06/436720406.db2.gz	KFQDGWYOTBSQGY-ZDUSSCGKSA-N	-1	3	335.408	0.081	50	0		ECAAHM
C[C@H](O)[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](C)[C@H](C)O	ZINC000239433298	436757442	/nfs/dbraw/zinc/75/74/42/436757442.db2.gz	XMMDZZIYJNQNKL-XAMCCFCMSA-N	-1	3	332.294	0.028	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)c2ccc(F)cc2)cn1C	ZINC000069366984	436769348	/nfs/dbraw/zinc/76/93/48/436769348.db2.gz	LSXPQXBMLJNJNO-UHFFFAOYSA-N	-1	3	340.380	0.809	50	0		ECAAHM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)N)CC1)C(=O)[O-]	ZINC000248085412	436801337	/nfs/dbraw/zinc/80/13/37/436801337.db2.gz	RRMCYVUOWFVYFQ-ITGHMWBKSA-N	-1	3	341.452	0.872	50	0		ECAAHM
Cc1cccc(Cn2[n-]ccc2=NC(=O)CSc2nnnn2C)c1	ZINC000255033215	436849218	/nfs/dbraw/zinc/84/92/18/436849218.db2.gz	VNTIBMOHPIDGOS-UHFFFAOYSA-N	-1	3	343.416	0.916	50	0		ECAAHM
Cn1ccsc1=NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000254798269	436849547	/nfs/dbraw/zinc/84/95/47/436849547.db2.gz	RDHQHSCCXQRBII-UHFFFAOYSA-N	-1	3	330.369	0.607	50	0		ECAAHM
CC[C@@H](C)[C@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[n-]n2c1=O	ZINC000252550188	436837413	/nfs/dbraw/zinc/83/74/13/436837413.db2.gz	SERPNIZVGIVJCA-SKDRFNHKSA-N	-1	3	336.392	0.492	50	0		ECAAHM
C[C@]1(c2ccc(C(=O)NCC3(C)OCCCO3)cc2)NC(=O)[N-]C1=O	ZINC000170612284	436947053	/nfs/dbraw/zinc/94/70/53/436947053.db2.gz	FWJJZIMSPBKKBR-QGZVFWFLSA-N	-1	3	347.371	0.624	50	0		ECAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)NCCN1CCc2ccccc2C1	ZINC000426376570	438055164	/nfs/dbraw/zinc/05/51/64/438055164.db2.gz	URLPTLBJXUWPMU-UHFFFAOYSA-N	-1	3	328.372	0.605	50	0		ECAAHM
CCn1ccnc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1	ZINC000456359315	438768789	/nfs/dbraw/zinc/76/87/89/438768789.db2.gz	RFMFEBKPVPEPJP-JTQLQIEISA-N	-1	3	337.405	0.697	50	0		ECAAHM
C[C@H](O)CN1CCN(CC(=O)N=c2cc[n-]n2[C@@H](C)C2CC2)C[C@@H]1C	ZINC000588080562	438816982	/nfs/dbraw/zinc/81/69/82/438816982.db2.gz	HONCRPNMOVYTPM-KKUMJFAQSA-N	-1	3	349.479	0.601	50	0		ECAAHM
CCn1cnnc1C[N-]S(=O)(=O)c1cncc(OC(C)C)c1	ZINC000583651111	439495139	/nfs/dbraw/zinc/49/51/39/439495139.db2.gz	FNZSAQDNIDBOMB-UHFFFAOYSA-N	-1	3	325.394	0.959	50	0		ECAAHM
COc1cc(C=Cc2nc3c(=O)[nH]c(=O)n(C)c3[n-]c2=O)ccc1O	ZINC000585152542	439635611	/nfs/dbraw/zinc/63/56/11/439635611.db2.gz	ZCMVDCXHFCCMAH-HWKANZROSA-N	-1	3	342.311	0.607	50	0		ECAAHM
CC(C)Cc1cc(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)[n-]c(=O)n1	ZINC000253536628	535334347	/nfs/dbraw/zinc/33/43/47/535334347.db2.gz	IXFHJTVPKTUUDS-UHFFFAOYSA-N	-1	3	336.392	0.660	50	0		ECAAHM
C[C@@H](Cc1noc(C[N-]S(C)(=O)=O)n1)N(C)C(=O)OC(C)(C)C	ZINC000084640983	545711593	/nfs/dbraw/zinc/71/15/93/545711593.db2.gz	LCRIBRPUCUYEAJ-VIFPVBQESA-N	-1	3	348.425	0.917	50	0		ECAAHM
CCc1nc(S(=O)(=O)[N-]C[C@@H]2CCCN(C(=O)C3CC3)C2)c[nH]1	ZINC000670440408	548011373	/nfs/dbraw/zinc/01/13/73/548011373.db2.gz	ARIRIEARSPIDKT-NSHDSACASA-N	-1	3	340.449	0.899	50	0		ECAAHM
CCc1nc(S(=O)(=O)[N-]C[C@H]2CCCN(C(=O)C3CC3)C2)c[nH]1	ZINC000670440405	548011480	/nfs/dbraw/zinc/01/14/80/548011480.db2.gz	ARIRIEARSPIDKT-LLVKDONJSA-N	-1	3	340.449	0.899	50	0		ECAAHM
Cc1ccccc1NC(=O)CCNC(=O)c1cn(C)c(=O)[n-]c1=O	ZINC000670449473	548014162	/nfs/dbraw/zinc/01/41/62/548014162.db2.gz	WMRASBJSMMLQMY-UHFFFAOYSA-N	-1	3	330.344	0.553	50	0		ECAAHM
O=C(c1ccc(-c2nnn[n-]2)cn1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000585121999	606936251	/nfs/dbraw/zinc/93/62/51/606936251.db2.gz	JPEUPWKLJMASMN-GFCCVEGCSA-N	-1	3	337.343	0.950	50	0		ECAAHM
O=C(c1ccc(-c2nn[n-]n2)cn1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000585121999	606936252	/nfs/dbraw/zinc/93/62/52/606936252.db2.gz	JPEUPWKLJMASMN-GFCCVEGCSA-N	-1	3	337.343	0.950	50	0		ECAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccn(C)n1	ZINC000024478165	202115892	/nfs/dbraw/zinc/11/58/92/202115892.db2.gz	YWRVMEGYLSIIBW-VIFPVBQESA-N	-1	3	326.353	0.865	50	0		ECAAHM
CN(Cc1nnc(-c2ccccc2)o1)C(=O)C[C@H]1NC(=O)[N-]C1=O	ZINC000216249996	241177412	/nfs/dbraw/zinc/17/74/12/241177412.db2.gz	ZJXWLGWFEZFFQR-SNVBAGLBSA-N	-1	3	329.316	0.293	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCN(C(=O)OC(C)(C)C)CC1)[n-]c2=O	ZINC000065415524	202845418	/nfs/dbraw/zinc/84/54/18/202845418.db2.gz	CLOVGBWPWZJILG-UHFFFAOYSA-N	-1	3	348.407	0.709	50	0		ECAAHM
O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cc(=O)[n-]c(=O)[nH]1	ZINC000253534845	244006272	/nfs/dbraw/zinc/00/62/72/244006272.db2.gz	KTZQCYDYRZTJJF-TUAOUCFPSA-N	-1	3	330.344	0.395	50	0		ECAAHM
Cn1nc2c(c1C(=O)N1CCc3c(nc(N)[n-]c3=O)C1)CCCC2	ZINC000071776338	203113117	/nfs/dbraw/zinc/11/31/17/203113117.db2.gz	CBIGOSCFEFPADB-UHFFFAOYSA-N	-1	3	328.376	0.163	50	0		ECAAHM
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1c[n-]nn1	ZINC000072143699	203169339	/nfs/dbraw/zinc/16/93/39/203169339.db2.gz	YNCCLBAFBFBWDR-UHFFFAOYSA-N	-1	3	335.389	0.388	50	0		ECAAHM
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cnn[n-]1	ZINC000072143699	203169341	/nfs/dbraw/zinc/16/93/41/203169341.db2.gz	YNCCLBAFBFBWDR-UHFFFAOYSA-N	-1	3	335.389	0.388	50	0		ECAAHM
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cn[n-]n1	ZINC000072143699	203169344	/nfs/dbraw/zinc/16/93/44/203169344.db2.gz	YNCCLBAFBFBWDR-UHFFFAOYSA-N	-1	3	335.389	0.388	50	0		ECAAHM
O=C(NCc1nn[n-]n1)[C@H]1CN(CCCc2ccccc2)CCO1	ZINC000072428972	203222368	/nfs/dbraw/zinc/22/23/68/203222368.db2.gz	WJZSYUPKYJCXNT-CQSZACIVSA-N	-1	3	330.392	0.150	50	0		ECAAHM
Cc1nc(CNC(=O)[C@H]2CC[C@@H](NC(=O)N3CCCC3)C2)cc(=O)[n-]1	ZINC000077339028	203381805	/nfs/dbraw/zinc/38/18/05/203381805.db2.gz	UFZAFNDSPQSAQE-QWHCGFSZSA-N	-1	3	347.419	0.669	50	0		ECAAHM
Cc1nc([C@@H](C)N(C)S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)c(C)s1	ZINC000077353828	203382505	/nfs/dbraw/zinc/38/25/05/203382505.db2.gz	RMNAFDZEDDXHEO-ZCFIWIBFSA-N	-1	3	344.418	0.931	50	0		ECAAHM
Cc1ccccc1N1CCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)CC1=O	ZINC000077436693	203388574	/nfs/dbraw/zinc/38/85/74/203388574.db2.gz	YSQLKKYRCHVJHU-GFCCVEGCSA-N	-1	3	344.371	0.158	50	0		ECAAHM
O=C([C@H]1CC(=O)Nc2ccc(F)cc21)N1CCc2c(=O)[n-]cnc2C1	ZINC000072148388	304412906	/nfs/dbraw/zinc/41/29/06/304412906.db2.gz	NJOZKVHHXLJEOL-LBPRGKRZSA-N	-1	3	342.330	0.920	50	0		ECAAHM
CN1CCN(C[C@@H](CC(=O)Nc2ccccc2C(N)=O)C(=O)[O-])CC1	ZINC000072402880	290044295	/nfs/dbraw/zinc/04/42/95/290044295.db2.gz	JCGLVZHRGJCXNH-GFCCVEGCSA-N	-1	3	348.403	0.062	50	0		ECAAHM
C[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)O[C@H]1CCOC1=O	ZINC000003346743	435974278	/nfs/dbraw/zinc/97/42/78/435974278.db2.gz	HOQCNKKVOMNOER-GAYDMYCYSA-N	-1	3	339.369	0.824	50	0		ECAAHM
CCOC(=O)C1=C(N)Oc2[nH]c(=O)[n-]c(=O)c2[C@H]1c1ccccc1F	ZINC000000405749	435953473	/nfs/dbraw/zinc/95/34/73/435953473.db2.gz	VCLKXEYULJBEBE-VIFPVBQESA-N	-1	3	347.302	0.460	50	0		ECAAHM
CCN1C[C@@]2(CCCN(C(=O)Cc3cnc(C)[n-]c3=O)C2)CCC1=O	ZINC000072422327	436046572	/nfs/dbraw/zinc/04/65/72/436046572.db2.gz	JNNYHSJGEKSIQG-GOSISDBHSA-N	-1	3	346.431	0.872	50	0		ECAAHM
COC(=O)C(C)(C)NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000042106712	436297599	/nfs/dbraw/zinc/29/75/99/436297599.db2.gz	VYRGBJILRYMIKK-UHFFFAOYSA-N	-1	3	345.355	0.326	50	0		ECAAHM
CCCC(=O)N1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000052863879	436519273	/nfs/dbraw/zinc/51/92/73/436519273.db2.gz	AUNVCNUQOWPYCR-UHFFFAOYSA-N	-1	3	332.408	0.491	50	0		ECAAHM
CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2cn(C)c(=O)[n-]c2=O)C1	ZINC000095525086	436499147	/nfs/dbraw/zinc/49/91/47/436499147.db2.gz	LHYCCYHTILEBAW-LBPRGKRZSA-N	-1	3	345.403	0.871	50	0		ECAAHM
CNC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1	ZINC000053669149	436537578	/nfs/dbraw/zinc/53/75/78/436537578.db2.gz	TUPUBHJMSIDCEI-ZDUSSCGKSA-N	-1	3	336.417	0.803	50	0		ECAAHM
O=C([O-])[C@@H]1CNCCN(C(=O)CCc2nc(-c3ccncc3)no2)C1	ZINC000097759372	436543727	/nfs/dbraw/zinc/54/37/27/436543727.db2.gz	WXGHDLKVQBRVCZ-GFCCVEGCSA-N	-1	3	345.359	0.197	50	0		ECAAHM
C[C@H](Cn1cccn1)NC(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000057098214	436605197	/nfs/dbraw/zinc/60/51/97/436605197.db2.gz	CNAMZNIOTDOBLZ-SNVBAGLBSA-N	-1	3	328.419	0.428	50	0		ECAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N(Cc1ccccc1)C[C@@H]1CCCO1	ZINC000220082788	436697292	/nfs/dbraw/zinc/69/72/92/436697292.db2.gz	LIFHRLCYUKJPNM-HNNXBMFYSA-N	-1	3	343.383	0.814	50	0		ECAAHM
CO[C@@H](C)CS(=O)(=O)[N-][C@@H](C)C(=O)N1CCc2ccccc21	ZINC000225672784	436712864	/nfs/dbraw/zinc/71/28/64/436712864.db2.gz	AZURFLDYNXTACG-RYUDHWBXSA-N	-1	3	326.418	0.919	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCC(N2CCO[C@H](C)C2)CC1	ZINC000254906090	436850126	/nfs/dbraw/zinc/85/01/26/436850126.db2.gz	PFAPUFVHKASONE-OAHLLOKOSA-N	-1	3	349.479	0.839	50	0		ECAAHM
CCOCCOc1ccccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])N(C)C1	ZINC000252490787	436834636	/nfs/dbraw/zinc/83/46/36/436834636.db2.gz	LAZZRMBCIZJCPF-JSGCOSHPSA-N	-1	3	336.388	0.989	50	0		ECAAHM
O=C(NC1CCN(C(=O)N2CCCCC2)CC1)c1cc(=O)[n-]c(=O)[nH]1	ZINC000299784016	437113165	/nfs/dbraw/zinc/11/31/65/437113165.db2.gz	KWRSMBNGHBOWBI-UHFFFAOYSA-N	-1	3	349.391	0.688	50	0		ECAAHM
COCCc1noc([C@H](C)NC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)n1	ZINC000426563106	438064817	/nfs/dbraw/zinc/06/48/17/438064817.db2.gz	RMEKRBUJXZPTEL-QMMMGPOBSA-N	-1	3	348.363	0.849	50	0		ECAAHM
CNS(=O)(=O)NC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1	ZINC000408523981	438582692	/nfs/dbraw/zinc/58/26/92/438582692.db2.gz	WUYXPGGEBMSJOV-UHFFFAOYSA-N	-1	3	347.824	0.704	50	0		ECAAHM
O=C([O-])CN1CCN(C(=O)CCn2cnc3ccccc32)C[C@H](O)C1	ZINC000097413371	545731685	/nfs/dbraw/zinc/73/16/85/545731685.db2.gz	SZIUXMURDQQZKQ-CYBMUJFWSA-N	-1	3	346.387	0.016	50	0		ECAAHM
CN(C)S(=O)(=O)[N-]c1cnn(C[C@@H]2COc3ccccc3O2)c1	ZINC000206846647	545916930	/nfs/dbraw/zinc/91/69/30/545916930.db2.gz	QWOBMTQBFNZXGA-GFCCVEGCSA-N	-1	3	338.389	0.941	50	0		ECAAHM
Cc1n[nH]c(C)c1[C@H](N)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1	ZINC000222423835	545921707	/nfs/dbraw/zinc/92/17/07/545921707.db2.gz	VLTZEGNBWCGWEQ-AWEZNQCLSA-N	-1	3	340.391	0.865	50	0		ECAAHM
Cc1n[nH]c(C)c1[C@H](N)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1	ZINC000222423835	545921713	/nfs/dbraw/zinc/92/17/13/545921713.db2.gz	VLTZEGNBWCGWEQ-AWEZNQCLSA-N	-1	3	340.391	0.865	50	0		ECAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)N1	ZINC000054535464	214243696	/nfs/dbraw/zinc/24/36/96/214243696.db2.gz	SKYUHXAZDRGQIC-UHFFFAOYSA-N	-1	3	345.327	0.328	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1nnnn1-c1ccccc1	ZINC000040268779	213286555	/nfs/dbraw/zinc/28/65/55/213286555.db2.gz	CIUYHYGMAAZYGO-UHFFFAOYSA-N	-1	3	334.361	0.746	50	0		ECAAHM
COc1ccc([C@H](O)CNC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1	ZINC000031416029	202206243	/nfs/dbraw/zinc/20/62/43/202206243.db2.gz	OUSPAGUKZFMTFN-OAHLLOKOSA-N	-1	3	331.372	0.788	50	0		ECAAHM
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@H]1NC(=O)[N-]C1=O)CC3	ZINC000036390713	202325041	/nfs/dbraw/zinc/32/50/41/202325041.db2.gz	ZRHRUJWYIGQCKV-CQSZACIVSA-N	-1	3	326.356	0.959	50	0		ECAAHM
COCc1noc(CCNC(=O)c2[n-]c(=O)nc3ccccc32)n1	ZINC000219596792	241397854	/nfs/dbraw/zinc/39/78/54/241397854.db2.gz	NFDWIZLDBPHWJC-UHFFFAOYSA-N	-1	3	329.316	0.425	50	0		ECAAHM
O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cc(=O)[n-]c(=O)[nH]1	ZINC000253534844	244006372	/nfs/dbraw/zinc/00/63/72/244006372.db2.gz	KTZQCYDYRZTJJF-GRYCIOLGSA-N	-1	3	330.344	0.395	50	0		ECAAHM
Cn1cc(C(=O)N[C@H](c2ccccc2)[C@H]2C[C@@H](O)C2)c(=O)[n-]c1=O	ZINC000253535163	244008312	/nfs/dbraw/zinc/00/83/12/244008312.db2.gz	JYJUJYZICSQAOA-MBNYWOFBSA-N	-1	3	329.356	0.728	50	0		ECAAHM
COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)cc1	ZINC000040481181	203232703	/nfs/dbraw/zinc/23/27/03/203232703.db2.gz	SEDHLNCOFJTORV-UHFFFAOYSA-N	-1	3	339.373	0.058	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCCN(Cc2cccnc2)CC1	ZINC000072420247	203220401	/nfs/dbraw/zinc/22/04/01/203220401.db2.gz	MANHKZLBOFSOFK-CQSZACIVSA-N	-1	3	345.403	0.104	50	0		ECAAHM
Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(CCC(=O)[O-])C1	ZINC000072429387	203222335	/nfs/dbraw/zinc/22/23/35/203222335.db2.gz	YNKNPQXKUPCFOP-CYBMUJFWSA-N	-1	3	337.424	0.301	50	0		ECAAHM
CC[C@H](C)[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	ZINC000012879995	207256829	/nfs/dbraw/zinc/25/68/29/207256829.db2.gz	IDMRETVRRPHMEG-FPMFFAJLSA-N	-1	3	341.452	0.824	50	0		ECAAHM
O=C(COC[C@H]1CCCO1)NCCn1[n-]c(=O)c2ccccc2c1=O	ZINC000299788734	258094913	/nfs/dbraw/zinc/09/49/13/258094913.db2.gz	XPNHGHQVHXOROW-GFCCVEGCSA-N	-1	3	347.371	0.002	50	0		ECAAHM
CN1CCN([C@H]2CCN(c3ncccn3)C[C@H]2CCC(=O)[O-])CC1	ZINC000091487114	290056475	/nfs/dbraw/zinc/05/64/75/290056475.db2.gz	KENZCOIBZZTMCI-CABCVRRESA-N	-1	3	333.436	0.784	50	0		ECAAHM
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)[N-]C3=NCCS3)C2=O)cc1	ZINC000007038875	436008754	/nfs/dbraw/zinc/00/87/54/436008754.db2.gz	LQZDOINPKJZNMT-MRXNPFEDSA-N	-1	3	346.412	0.981	50	0		ECAAHM
O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1cccc(-n2cnnn2)c1	ZINC000072275309	436038734	/nfs/dbraw/zinc/03/87/34/436038734.db2.gz	NSOPLCZKBOHORK-UHFFFAOYSA-N	-1	3	349.310	0.444	50	0		ECAAHM
O=C(Nc1cccc2c(=O)[n-][nH]c(=O)c12)c1cccc(-n2cnnn2)c1	ZINC000072275309	436038736	/nfs/dbraw/zinc/03/87/36/436038736.db2.gz	NSOPLCZKBOHORK-UHFFFAOYSA-N	-1	3	349.310	0.444	50	0		ECAAHM
O=C(c1ccccc1[O-])N1CCN(S(=O)(=O)N2CCCC2)CC1	ZINC000043517205	436331902	/nfs/dbraw/zinc/33/19/02/436331902.db2.gz	OAFPQONTJVIGMI-UHFFFAOYSA-N	-1	3	339.417	0.491	50	0		ECAAHM
COC(=O)c1cccc2[n-]c(NC(=O)CCS(C)(=O)=O)nc21	ZINC000089406977	436409332	/nfs/dbraw/zinc/40/93/32/436409332.db2.gz	DRUQNRDDEIEZDY-UHFFFAOYSA-N	-1	3	325.346	0.145	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC(OCc2ccccn2)CC1	ZINC000091551244	436452196	/nfs/dbraw/zinc/45/21/96/436452196.db2.gz	WFDPBOWVFPQRET-AWEZNQCLSA-N	-1	3	346.387	0.577	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)c2cc(-c3cccn3C)n[nH]2)n1	ZINC000091693861	436457673	/nfs/dbraw/zinc/45/76/73/436457673.db2.gz	UOCSWJBHLNEUEU-UHFFFAOYSA-N	-1	3	341.375	0.649	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC(CCn2cccn2)CC1	ZINC000091998115	436465064	/nfs/dbraw/zinc/46/50/64/436465064.db2.gz	JRDQGLAHTAEKJJ-CYBMUJFWSA-N	-1	3	333.392	0.500	50	0		ECAAHM
Cc1noc([C@@H]2CCCN(Cc3nc4c(cnn4C)c(=O)[n-]3)C2)n1	ZINC000052863663	436519264	/nfs/dbraw/zinc/51/92/64/436519264.db2.gz	AWJZTJMEMXUWOA-SNVBAGLBSA-N	-1	3	329.364	0.728	50	0		ECAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)N1	ZINC000097051147	436538456	/nfs/dbraw/zinc/53/84/56/436538456.db2.gz	HYKBECBXYXDRET-WDZFZDKYSA-N	-1	3	335.385	0.661	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1ccc(-c2cc[nH]n2)cc1	ZINC000097915048	436544987	/nfs/dbraw/zinc/54/49/87/436544987.db2.gz	VCFKJIKMBFMOPW-CYBMUJFWSA-N	-1	3	327.344	0.681	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCN(c3ccc(O)cc3)CC1)[n-]c2=O	ZINC000054417580	436551301	/nfs/dbraw/zinc/55/13/01/436551301.db2.gz	FCVICAATQRSZGJ-UHFFFAOYSA-N	-1	3	340.387	0.684	50	0		ECAAHM
O=C(c1ccc2n[n-]nc2c1)N1CCN(C(=O)c2cnccn2)CC1	ZINC000058370239	436624812	/nfs/dbraw/zinc/62/48/12/436624812.db2.gz	MPPBXHLLVQDKHX-UHFFFAOYSA-N	-1	3	337.343	0.346	50	0		ECAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N(Cc1ccccc1)C[C@H]1CCCO1	ZINC000220082857	436697417	/nfs/dbraw/zinc/69/74/17/436697417.db2.gz	LIFHRLCYUKJPNM-OAHLLOKOSA-N	-1	3	343.383	0.814	50	0		ECAAHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cccn(C)c3=O)CC2)n1	ZINC000238970245	436757402	/nfs/dbraw/zinc/75/74/02/436757402.db2.gz	ZIOJNYIHICTLRC-UHFFFAOYSA-N	-1	3	343.387	0.588	50	0		ECAAHM
CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)N)CC1)C(=O)[O-]	ZINC000252460864	436831724	/nfs/dbraw/zinc/83/17/24/436831724.db2.gz	IQJRXFRWOGDJHL-FDYHWXHSSA-N	-1	3	327.425	0.482	50	0		ECAAHM
CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000299749073	437109401	/nfs/dbraw/zinc/10/94/01/437109401.db2.gz	JCZPCQOEFBJNJG-INIZCTEOSA-N	-1	3	349.431	0.362	50	0		ECAAHM
O=C(NCCN1CCCC1=O)c1ccc(-c2c[nH]c(=O)[n-]c2=O)cc1	ZINC000426487218	438059243	/nfs/dbraw/zinc/05/92/43/438059243.db2.gz	AEJWDUGLQHMKNS-UHFFFAOYSA-N	-1	3	342.355	0.907	50	0		ECAAHM
O=C(NCCc1n[nH]c(=O)[n-]1)N1CCC(N2CCSCC2)CC1	ZINC000426550662	438064732	/nfs/dbraw/zinc/06/47/32/438064732.db2.gz	QTWOIKQSRMNHGC-UHFFFAOYSA-N	-1	3	340.453	0.276	50	0		ECAAHM
O=C(NCc1nnn[n-]1)NC[C@@H](c1ccc(F)cc1)N1CCCC1	ZINC000426691353	438069840	/nfs/dbraw/zinc/06/98/40/438069840.db2.gz	WBKCYJJBCQASST-ZDUSSCGKSA-N	-1	3	333.371	0.975	50	0		ECAAHM
O=C(NCc1nn[n-]n1)NC[C@@H](c1ccc(F)cc1)N1CCCC1	ZINC000426691353	438069842	/nfs/dbraw/zinc/06/98/42/438069842.db2.gz	WBKCYJJBCQASST-ZDUSSCGKSA-N	-1	3	333.371	0.975	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCn1ccnc1-c1cnccn1	ZINC000575609717	438750505	/nfs/dbraw/zinc/75/05/05/438750505.db2.gz	OKRILGPXQYLLEM-UHFFFAOYSA-N	-1	3	348.388	0.923	50	0		ECAAHM
Cc1nccc(O[C@H]2CCCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)n1	ZINC000575606147	438751043	/nfs/dbraw/zinc/75/10/43/438751043.db2.gz	SHIPSUDXJLBFCR-JTQLQIEISA-N	-1	3	331.332	0.670	50	0		ECAAHM
O=C(c1cc(=O)c2ccccc2o1)N1CC(Cn2c([O-])coc2=O)C1	ZINC000575616297	438751743	/nfs/dbraw/zinc/75/17/43/438751743.db2.gz	KTVOTBODQDCFQR-UHFFFAOYSA-N	-1	3	342.307	0.844	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCC(N2CCN(C)C2=O)CC1	ZINC000588085733	438817848	/nfs/dbraw/zinc/81/78/48/438817848.db2.gz	UUBZNYVWYRXACI-UHFFFAOYSA-N	-1	3	348.451	0.485	50	0		ECAAHM
CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccnc1OCC(F)F	ZINC000583651508	439495624	/nfs/dbraw/zinc/49/56/24/439495624.db2.gz	NQACDYZNWLDYPY-QMMMGPOBSA-N	-1	3	337.348	0.528	50	0		ECAAHM
CC(C)CCC[C@H](C)NC(=O)CCn1cc(C(N)=O)c(=O)[n-]c1=O	ZINC000585132473	439633886	/nfs/dbraw/zinc/63/38/86/439633886.db2.gz	XODOHGQDDWVQLE-NSHDSACASA-N	-1	3	338.408	0.769	50	0		ECAAHM
COC(=O)c1cc([O-])cc(C(=O)NC2CCS(=O)(=O)CC2)c1	ZINC000584884272	439624356	/nfs/dbraw/zinc/62/43/56/439624356.db2.gz	NCVQHCUAWBMSNY-UHFFFAOYSA-N	-1	3	327.358	0.486	50	0		ECAAHM
CC[C@@H](C(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1)n1cccn1	ZINC000253536590	535403927	/nfs/dbraw/zinc/40/39/27/535403927.db2.gz	IMSBUYHDGMOVJC-NSHDSACASA-N	-1	3	331.380	0.261	50	0		ECAAHM
CCn1cnnc1C[N-]S(=O)(=O)c1cccnc1OCC(F)F	ZINC000585086227	586415081	/nfs/dbraw/zinc/41/50/81/586415081.db2.gz	NXZCUHAEJCLVOK-UHFFFAOYSA-N	-1	3	347.347	0.815	50	0		ECAAHM
O=C([N-]C1=NCCS1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1	ZINC000024802280	202121720	/nfs/dbraw/zinc/12/17/20/202121720.db2.gz	KDENYBSFHZCOBG-SECBINFHSA-N	-1	3	333.369	0.987	50	0		ECAAHM
O=C([N-]C1=NCCS1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1	ZINC000024802283	202121647	/nfs/dbraw/zinc/12/16/47/202121647.db2.gz	KDENYBSFHZCOBG-VIFPVBQESA-N	-1	3	333.369	0.987	50	0		ECAAHM
Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCN[C@H](C)C1	ZINC000188411428	202175300	/nfs/dbraw/zinc/17/53/00/202175300.db2.gz	YKIXXMYHDGYJMM-GFCCVEGCSA-N	-1	3	341.415	0.893	50	0		ECAAHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCOCC1	ZINC000032980151	202246279	/nfs/dbraw/zinc/24/62/79/202246279.db2.gz	LPZAQVISCQVCDC-CQSZACIVSA-N	-1	3	344.408	0.987	50	0		ECAAHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CN(C3CC3)C[C@H]2C)o1	ZINC000252677463	201185495	/nfs/dbraw/zinc/18/54/95/201185495.db2.gz	YVISIMGZNPTCBQ-MWLCHTKSSA-N	-1	3	328.390	0.827	50	0		ECAAHM
CCc1nnc2n1C[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)CC2	ZINC000097198503	201381472	/nfs/dbraw/zinc/38/14/72/201381472.db2.gz	XVSRDFKZWKXRAC-GFCCVEGCSA-N	-1	3	344.419	0.604	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1nc(-c2ccccc2Cl)no1	ZINC000216410934	241189106	/nfs/dbraw/zinc/18/91/06/241189106.db2.gz	VWIYUXDJJIBLBY-VIFPVBQESA-N	-1	3	349.734	0.604	50	0		ECAAHM
CCOC(=O)N(C)CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000069512235	203011162	/nfs/dbraw/zinc/01/11/62/203011162.db2.gz	BYPXCJJMWSITMZ-UHFFFAOYSA-N	-1	3	349.387	0.765	50	0		ECAAHM
Cc1ccc([O-])c(C(=O)NCCS(=O)(=O)N2CCSCC2)c1	ZINC000069517129	203011305	/nfs/dbraw/zinc/01/13/05/203011305.db2.gz	MHPXGBXNFGHNSO-UHFFFAOYSA-N	-1	3	344.458	0.809	50	0		ECAAHM
Cc1nnnn1CCC(=O)N[C@H]1C[C@H](c2cc(=O)[n-]c(C3CC3)n2)C1	ZINC000253534830	244006629	/nfs/dbraw/zinc/00/66/29/244006629.db2.gz	IWCKJXHCOPGVQS-HAQNSBGRSA-N	-1	3	343.391	0.807	50	0		ECAAHM
CC(C)[C@@H]1CN(C(=O)c2cc(=O)[n-]c(=O)[nH]2)CCC(=O)N1CC1CC1	ZINC000071750921	203108093	/nfs/dbraw/zinc/10/80/93/203108093.db2.gz	AIVMDAHKNSVXQO-ZDUSSCGKSA-N	-1	3	348.403	0.585	50	0		ECAAHM
Cn1ncc(N2CC[C@@H](CNC(=O)c3ccccc3[O-])C2)cc1=O	ZINC000072143951	203169394	/nfs/dbraw/zinc/16/93/94/203169394.db2.gz	GHYADUYJGAMCGA-LBPRGKRZSA-N	-1	3	328.372	0.742	50	0		ECAAHM
C[C@@]1(O)CCN(C(=O)CN2CC(=O)[N-]C2=O)C[C@@H]1Cc1ccccc1	ZINC000072148418	203172240	/nfs/dbraw/zinc/17/22/40/203172240.db2.gz	SGXYUAJIQNSLMV-KBXCAEBGSA-N	-1	3	345.399	0.380	50	0		ECAAHM
CCc1nc(C)c(C(=O)N2CCc3c(nc(N(C)C)[n-]c3=O)C2)o1	ZINC000072152860	203172565	/nfs/dbraw/zinc/17/25/65/203172565.db2.gz	LBNCKPLDWJYGRZ-UHFFFAOYSA-N	-1	3	331.376	0.893	50	0		ECAAHM
O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)CSCCN1CCCC1	ZINC000096149628	304150635	/nfs/dbraw/zinc/15/06/35/304150635.db2.gz	HNYDIXZZMMSBFP-ZDUSSCGKSA-N	-1	3	338.433	0.577	50	0		ECAAHM
CCc1nc(C)c(CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c(=O)[n-]1	ZINC000077505455	203392411	/nfs/dbraw/zinc/39/24/11/203392411.db2.gz	YGYVMHZQKOWALG-NSHDSACASA-N	-1	3	341.433	0.219	50	0		ECAAHM
COC(=O)Cc1cc(=O)n2nc(NCc3ccc(F)cc3)[n-]c2n1	ZINC000101483463	204007470	/nfs/dbraw/zinc/00/74/70/204007470.db2.gz	GBRDJBGXRXJSST-UHFFFAOYSA-N	-1	3	331.307	0.884	50	0		ECAAHM
CC(C)C[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)C(C)C)CC1)C(=O)[O-]	ZINC000002138258	435965904	/nfs/dbraw/zinc/96/59/04/435965904.db2.gz	NPJXEELACYUTPJ-KBPBESRZSA-N	-1	3	341.452	0.824	50	0		ECAAHM
CCOC(=O)[C@]([O-])(CC(=O)Nc1cccc(C(N)=O)c1)C(F)(F)F	ZINC000002727114	435967665	/nfs/dbraw/zinc/96/76/65/435967665.db2.gz	DYZNSRVQRQFOLI-CYBMUJFWSA-N	-1	3	348.277	0.971	50	0		ECAAHM
O=C(COC(=O)c1cc(=O)[n-]c(=O)[nH]1)N[C@@H]1CCCc2ccccc21	ZINC000003303244	435973293	/nfs/dbraw/zinc/97/32/93/435973293.db2.gz	ATQPZQABBYGWPK-GFCCVEGCSA-N	-1	3	343.339	0.414	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(CNc2ncnc3c2cnn3C)s1	ZINC000012926106	436057983	/nfs/dbraw/zinc/05/79/83/436057983.db2.gz	JCGBEEZGEHZTLT-UHFFFAOYSA-N	-1	3	338.418	0.945	50	0		ECAAHM
CC1=C[C@@]([O-])(C(F)(F)Cl)N(S(=O)(=O)c2cnn(C)c2)N1	ZINC000017067389	436098361	/nfs/dbraw/zinc/09/83/61/436098361.db2.gz	KXAFFKVXXBZGJB-MRVPVSSYSA-N	-1	3	328.728	0.711	50	0		ECAAHM
Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)NCCN(C)C1CC1	ZINC000075124458	436152595	/nfs/dbraw/zinc/15/25/95/436152595.db2.gz	RFJSQZBTJAMHTJ-UHFFFAOYSA-N	-1	3	341.415	0.893	50	0		ECAAHM
NC(=O)[C@H]1CC(C(=O)Nc2ncccc2[O-])=NN1c1ccccc1	ZINC000030516294	436218011	/nfs/dbraw/zinc/21/80/11/436218011.db2.gz	SLXFRXOAFFWVON-GFCCVEGCSA-N	-1	3	325.328	0.846	50	0		ECAAHM
Cc1ccc([O-])c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1	ZINC000040498929	436264113	/nfs/dbraw/zinc/26/41/13/436264113.db2.gz	BVTAIYQYSINURF-UHFFFAOYSA-N	-1	3	327.406	0.265	50	0		ECAAHM
COc1cccc2c(=O)c(C(=O)N[C@H]3CCS(=O)(=O)C3)c[n-]c12	ZINC000044904024	436352985	/nfs/dbraw/zinc/35/29/85/436352985.db2.gz	YJKMIMFLIJIUEA-VIFPVBQESA-N	-1	3	336.369	0.454	50	0		ECAAHM
Cc1nn(C)c(C)c1CCC(=O)N1CCc2nc(C)[n-]c(=O)c2CC1	ZINC000082125265	436362495	/nfs/dbraw/zinc/36/24/95/436362495.db2.gz	DQVRMMQSHZVSCC-UHFFFAOYSA-N	-1	3	343.431	0.989	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1ccc(-n2cccn2)cc1	ZINC000046698938	436399298	/nfs/dbraw/zinc/39/92/98/436399298.db2.gz	FSOLTMMEZYVLIU-CYBMUJFWSA-N	-1	3	327.344	0.477	50	0		ECAAHM
Cc1nccn1-c1ccccc1CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000092066095	436467149	/nfs/dbraw/zinc/46/71/49/436467149.db2.gz	NWLAIGXOIDJCQM-ZDUSSCGKSA-N	-1	3	341.371	0.785	50	0		ECAAHM
Cc1cccc(N2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2)c1	ZINC000048277028	436446445	/nfs/dbraw/zinc/44/64/45/436446445.db2.gz	HHLIKXFDCJWMCD-AWEZNQCLSA-N	-1	3	330.388	0.632	50	0		ECAAHM
O=C(C[N-]S(=O)(=O)c1cccs1)N1CCc2[nH]cnc2C1	ZINC000095366779	436492604	/nfs/dbraw/zinc/49/26/04/436492604.db2.gz	NQVXBMPWXRNORM-UHFFFAOYSA-N	-1	3	326.403	0.334	50	0		ECAAHM
O=C(COc1ccc2ccccc2c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000095407675	436493273	/nfs/dbraw/zinc/49/32/73/436493273.db2.gz	VAWRBNMINLXREL-OAHLLOKOSA-N	-1	3	339.351	0.981	50	0		ECAAHM
O=S1(=O)CC[C@H](n2nc(C3CCOCC3)nc2-c2cn[n-]n2)C1	ZINC000097243911	436541939	/nfs/dbraw/zinc/54/19/39/436541939.db2.gz	IQKOGFUDRPFCCH-JTQLQIEISA-N	-1	3	338.393	0.317	50	0		ECAAHM
O=C(NCCN1CCCC[C@H]1CO)c1ccccc1-c1nnn[n-]1	ZINC000097679948	436544318	/nfs/dbraw/zinc/54/43/18/436544318.db2.gz	CZIQTIGRCKXDAY-LBPRGKRZSA-N	-1	3	330.392	0.443	50	0		ECAAHM
COc1ccsc1S(=O)(=O)[N-]C[C@H]1CN(C2CC2)CCO1	ZINC000121065101	436707370	/nfs/dbraw/zinc/70/73/70/436707370.db2.gz	YDFZBLPAVKREKJ-NSHDSACASA-N	-1	3	332.447	0.898	50	0		ECAAHM
Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c2c(=O)[nH]n(C)c2n1	ZINC000069485111	436776123	/nfs/dbraw/zinc/77/61/23/436776123.db2.gz	NODQGMNNDIMFBO-UHFFFAOYSA-N	-1	3	341.253	0.959	50	0		ECAAHM
Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c2c(=O)[nH]n(C)c2n1	ZINC000069485111	436776125	/nfs/dbraw/zinc/77/61/25/436776125.db2.gz	NODQGMNNDIMFBO-UHFFFAOYSA-N	-1	3	341.253	0.959	50	0		ECAAHM
COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2Cc3ccccc3N(C)C2)n1	ZINC000253426661	436845950	/nfs/dbraw/zinc/84/59/50/436845950.db2.gz	LXVJCKJVBQFDFH-LLVKDONJSA-N	-1	3	329.360	0.767	50	0		ECAAHM
COC(=O)Cc1nnc(NC(=O)[C@@H]2Cc3ccccc3N(C)C2)[n-]1	ZINC000253426661	436845954	/nfs/dbraw/zinc/84/59/54/436845954.db2.gz	LXVJCKJVBQFDFH-LLVKDONJSA-N	-1	3	329.360	0.767	50	0		ECAAHM
COC(=O)Cc1nc(NC(=O)[C@@H]2Cc3ccccc3N(C)C2)n[n-]1	ZINC000253426661	436845958	/nfs/dbraw/zinc/84/59/58/436845958.db2.gz	LXVJCKJVBQFDFH-LLVKDONJSA-N	-1	3	329.360	0.767	50	0		ECAAHM
CC(C)c1ccc(Cn2[n-]ccc2=NC(=O)CN(C)CC(N)=O)cc1	ZINC000252497881	436836970	/nfs/dbraw/zinc/83/69/70/436836970.db2.gz	GDXHMRBBEPVKET-UHFFFAOYSA-N	-1	3	343.431	0.832	50	0		ECAAHM
Cn1nccc1-c1ccccc1CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000408517336	438581474	/nfs/dbraw/zinc/58/14/74/438581474.db2.gz	HKOITFVPOMTUIQ-HNNXBMFYSA-N	-1	3	325.372	0.823	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000588079234	438815491	/nfs/dbraw/zinc/81/54/91/438815491.db2.gz	BHFLGFWDMBUGFN-CYBMUJFWSA-N	-1	3	345.451	0.973	50	0		ECAAHM
COc1c[n-]c(C(=O)Nc2cccc(-c3nnn(C)n3)c2)cc1=O	ZINC000524735735	439192271	/nfs/dbraw/zinc/19/22/71/439192271.db2.gz	VPGYKVIFNHNQKP-UHFFFAOYSA-N	-1	3	326.316	0.826	50	0		ECAAHM
CCn1cnnc1C[N-]S(=O)(=O)c1ccc(OC(C)C)nc1	ZINC000583651529	439495525	/nfs/dbraw/zinc/49/55/25/439495525.db2.gz	NWFUDIQTSHTOCX-UHFFFAOYSA-N	-1	3	325.394	0.959	50	0		ECAAHM
CCc1ccc([C@H](COC)[N-]S(=O)(=O)C[C@H]2CN(C)CCO2)o1	ZINC000585115732	439632847	/nfs/dbraw/zinc/63/28/47/439632847.db2.gz	QHMYMSFATASDOE-KGLIPLIRSA-N	-1	3	346.449	0.780	50	0		ECAAHM
NC(=O)c1csc(S(=O)(=O)[N-]CCCc2csc(N)n2)c1	ZINC000670445479	548012969	/nfs/dbraw/zinc/01/29/69/548012969.db2.gz	YAAJGLMLADDXRO-UHFFFAOYSA-N	-1	3	346.459	0.797	50	0		ECAAHM
COC(=O)c1n[nH]cc1CN1CCC[C@H](c2cc(=O)[n-]c(C)n2)C1	ZINC000072170579	608705555	/nfs/dbraw/zinc/70/55/55/608705555.db2.gz	CBVAKYCVJOKLBU-NSHDSACASA-N	-1	3	331.376	0.968	50	0		ECAAHM
O=C1NCCC[C@@H]1[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000050392971	214056122	/nfs/dbraw/zinc/05/61/22/214056122.db2.gz	UEGMOUPCFIFTIC-VIFPVBQESA-N	-1	3	334.195	0.401	50	0		ECAAHM
CCS(=O)(=O)N1CCN(C(=O)c2ccc(OC)cc2[O-])CC1	ZINC000052152796	214121634	/nfs/dbraw/zinc/12/16/34/214121634.db2.gz	OVYKDMSXWDPAKQ-UHFFFAOYSA-N	-1	3	328.390	0.508	50	0		ECAAHM
C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cnn(C)c1	ZINC000020907267	202058644	/nfs/dbraw/zinc/05/86/44/202058644.db2.gz	CKBZMFRTLZSIRO-VIFPVBQESA-N	-1	3	328.419	0.637	50	0		ECAAHM
CCCNC(=O)C[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F	ZINC000027957290	202163238	/nfs/dbraw/zinc/16/32/38/202163238.db2.gz	JRZPVXHBSLIEPS-UHFFFAOYSA-N	-1	3	334.369	0.647	50	0		ECAAHM
Cc1ccc(-c2cc(CNC(=O)C[C@H]3NC(=O)[N-]C3=O)no2)cc1	ZINC000215352431	241120727	/nfs/dbraw/zinc/12/07/27/241120727.db2.gz	YREPWDXSQLRDLL-GFCCVEGCSA-N	-1	3	328.328	0.864	50	0		ECAAHM
Cc1cc(C(F)(F)F)nc(CCNC(=O)CN2CC(=O)[N-]C2=O)n1	ZINC000216174723	241172883	/nfs/dbraw/zinc/17/28/83/241172883.db2.gz	NQDGJSKENSBREN-UHFFFAOYSA-N	-1	3	345.281	0.014	50	0		ECAAHM
Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)n1	ZINC000216395429	241189724	/nfs/dbraw/zinc/18/97/24/241189724.db2.gz	HEGQYKXCMJPAMW-ZETCQYMHSA-N	-1	3	345.281	0.061	50	0		ECAAHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C	ZINC000219185516	241368847	/nfs/dbraw/zinc/36/88/47/241368847.db2.gz	QDNURLTXBDWHSO-LMLFDSFASA-N	-1	3	348.856	0.378	50	0		ECAAHM
Cc1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)c([O-])c1	ZINC000069514844	203012050	/nfs/dbraw/zinc/01/20/50/203012050.db2.gz	PUDDBNNKNROIAP-UHFFFAOYSA-N	-1	3	344.458	0.809	50	0		ECAAHM
O=C([C@@H]1CCCO1)N1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1	ZINC000040460067	203095842	/nfs/dbraw/zinc/09/58/42/203095842.db2.gz	MFZGDFAPOXATCA-LBPRGKRZSA-N	-1	3	348.428	0.808	50	0		ECAAHM
CN1CCN(C(=O)[C@H]2C[C@H](C(=O)[O-])CN(Cc3ccncc3)C2)CC1	ZINC000071711980	203104221	/nfs/dbraw/zinc/10/42/21/203104221.db2.gz	NAUZDPCEIXVDDI-HOTGVXAUSA-N	-1	3	346.431	0.378	50	0		ECAAHM
Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000071840001	203125406	/nfs/dbraw/zinc/12/54/06/203125406.db2.gz	AAIBQQHBDQBDDS-WCQYABFASA-N	-1	3	341.371	0.835	50	0		ECAAHM
CCN(Cc1ccc2c(c1)OCO2)C(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000040476604	203206216	/nfs/dbraw/zinc/20/62/16/203206216.db2.gz	RDHHMVUDZVHUMI-NSHDSACASA-N	-1	3	333.344	0.752	50	0		ECAAHM
COC(=O)Cc1cc(=O)n2nc(NCc3ccc(OC)cc3)[n-]c2n1	ZINC000101483321	204008040	/nfs/dbraw/zinc/00/80/40/204008040.db2.gz	UHGMOQUNPOCCML-UHFFFAOYSA-N	-1	3	343.343	0.754	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)c2c3c(nn2C)CCCC3)n1	ZINC000299772575	258084889	/nfs/dbraw/zinc/08/48/89/258084889.db2.gz	BXLXQWNBAVTAKG-UHFFFAOYSA-N	-1	3	330.392	0.945	50	0		ECAAHM
COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c([O-])[nH]c(=O)[nH]c1=O	ZINC000020611251	286385067	/nfs/dbraw/zinc/38/50/67/286385067.db2.gz	MIIDZCCWOWLYQU-ZDUSSCGKSA-N	-1	3	328.328	0.494	50	0		ECAAHM
Cn1c([O-])c(C(=O)C[C@@H]2NCCc3ccccc32)c(=O)n(C)c1=O	ZINC000020028338	279312866	/nfs/dbraw/zinc/31/28/66/279312866.db2.gz	XOMMDQBMIZAHLS-LBPRGKRZSA-N	-1	3	329.356	0.249	50	0		ECAAHM
C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)OC)ccc1Cl	ZINC000008389878	436027329	/nfs/dbraw/zinc/02/73/29/436027329.db2.gz	ARTGZFDHCMJYNL-ZETCQYMHSA-N	-1	3	335.765	0.966	50	0		ECAAHM
COc1ccc(CN(C)C(=O)CC[C@H]2NC(=O)[N-]C2=O)c(OC)c1	ZINC000012602491	436052985	/nfs/dbraw/zinc/05/29/85/436052985.db2.gz	ILBYTTQZEXTAIB-GFCCVEGCSA-N	-1	3	335.360	0.650	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000011408917	436043291	/nfs/dbraw/zinc/04/32/91/436043291.db2.gz	CDEPBABNTMKNLE-GFCCVEGCSA-N	-1	3	336.779	0.587	50	0		ECAAHM
Cc1ccc(NC(=O)[C@@H](C)OC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000012792193	436055003	/nfs/dbraw/zinc/05/50/03/436055003.db2.gz	HNVJPSVHYJQFKP-PWSUYJOCSA-N	-1	3	333.344	0.853	50	0		ECAAHM
COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCCN(C)C)C2=O)cc1	ZINC000020292736	436112231	/nfs/dbraw/zinc/11/22/31/436112231.db2.gz	JNIFLSKVEVHWQF-SDNWHVSQSA-N	-1	3	346.387	0.703	50	0		ECAAHM
Cc1c(S(=O)(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)cnn1C	ZINC000017066705	300987970	/nfs/dbraw/zinc/98/79/70/300987970.db2.gz	FKKBLGZAWRTZNC-VIFPVBQESA-N	-1	3	326.300	0.750	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCc1nc(-c2ccccc2)no1	ZINC000091536739	436452538	/nfs/dbraw/zinc/45/25/38/436452538.db2.gz	QGUAGIIXAOIUEJ-NSHDSACASA-N	-1	3	343.343	0.384	50	0		ECAAHM
Cc1nc(CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)nc2c1CCCC2	ZINC000091643710	436457697	/nfs/dbraw/zinc/45/76/97/436457697.db2.gz	BSGPIFGBOHWUOZ-LBPRGKRZSA-N	-1	3	331.376	0.268	50	0		ECAAHM
COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1c(CO)cnc(C)c1[O-])C2	ZINC000091849331	436463028	/nfs/dbraw/zinc/46/30/28/436463028.db2.gz	HXDLOBNBZYIFFN-DZGCQCFKSA-N	-1	3	349.431	0.657	50	0		ECAAHM
Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCN(C)C[C@@H]1C	ZINC000089499565	436411729	/nfs/dbraw/zinc/41/17/29/436411729.db2.gz	CRMWUMFHIGXAOV-LBPRGKRZSA-N	-1	3	341.415	0.845	50	0		ECAAHM
Cc1nc(CCNC(=O)[C@@H]2Cc3ccccc3CN2C)cc(=O)[n-]1	ZINC000095367549	436491885	/nfs/dbraw/zinc/49/18/85/436491885.db2.gz	GCLSRYVWFJBNID-INIZCTEOSA-N	-1	3	326.400	0.794	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1nn(C)c2c1COCC2	ZINC000096104022	436512654	/nfs/dbraw/zinc/51/26/54/436512654.db2.gz	IPEDSDGXNBPDLI-UHFFFAOYSA-N	-1	3	326.378	0.576	50	0		ECAAHM
Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)N[C@@H]1CCN(C)C1	ZINC000054222873	436547983	/nfs/dbraw/zinc/54/79/83/436547983.db2.gz	ZBXPDNRCFYVNHY-GFCCVEGCSA-N	-1	3	327.388	0.503	50	0		ECAAHM
O=C([C@@H]1CCCN1Cc1ccccc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000108095880	436616210	/nfs/dbraw/zinc/61/62/10/436616210.db2.gz	VBZZJDSKMLAXBD-LSDHHAIUSA-N	-1	3	342.399	0.414	50	0		ECAAHM
CN1CCN(C(=O)C2CCN(Cc3ccco3)CC2)C[C@@H]1C(=O)[O-]	ZINC000067855016	436727201	/nfs/dbraw/zinc/72/72/01/436727201.db2.gz	OESAIVALPRIORW-OAHLLOKOSA-N	-1	3	335.404	0.719	50	0		ECAAHM
Cc1c([C@@H](C)NC(=O)NCCNc2nc(C)cc(=O)[n-]2)cnn1C	ZINC000426392641	438058069	/nfs/dbraw/zinc/05/80/69/438058069.db2.gz	AZAAVDYLQMFYDO-SNVBAGLBSA-N	-1	3	333.396	1.005	50	0		ECAAHM
Cn1nccc1-c1ccccc1CN1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000408517337	438581319	/nfs/dbraw/zinc/58/13/19/438581319.db2.gz	HKOITFVPOMTUIQ-OAHLLOKOSA-N	-1	3	325.372	0.823	50	0		ECAAHM
C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN[C@@H]1CCc2ncnn2C1	ZINC000588084849	438817061	/nfs/dbraw/zinc/81/70/61/438817061.db2.gz	FBBZSZGPAGVQNX-DGCLKSJQSA-N	-1	3	329.408	0.411	50	0		ECAAHM
CC(C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1)S(C)(=O)=O	ZINC000630245464	440870290	/nfs/dbraw/zinc/87/02/90/440870290.db2.gz	JGMAHULZYWEOOP-MRVPVSSYSA-N	-1	3	346.430	0.980	50	0		ECAAHM
Cc1ccc(F)c(-n2nnnc2Cn2cc(Cl)c(=O)[n-]c2=O)c1	ZINC000085252388	545715474	/nfs/dbraw/zinc/71/54/74/545715474.db2.gz	OTDNPJICRKDCRX-UHFFFAOYSA-N	-1	3	336.714	0.662	50	0		ECAAHM
Cc1ccnc(SCC(=O)NCCNc2nc(C)cc(=O)[n-]2)n1	ZINC000219612318	545922268	/nfs/dbraw/zinc/92/22/68/545922268.db2.gz	LRGNGXFYKQYXCZ-UHFFFAOYSA-N	-1	3	334.405	0.497	50	0		ECAAHM
COC(=O)[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)Cc1ccccc1C	ZINC000952995745	612140614	/nfs/dbraw/zinc/14/06/14/612140614.db2.gz	XPUBKNYGPGPAHX-CQSZACIVSA-N	-1	3	337.401	0.922	50	0		ECAAHM
Cc1cccc(N2CCN(CC(=O)NCc3cc(=O)[n-]cn3)CC2)c1	ZINC000023398991	738280451	/nfs/dbraw/zinc/28/04/51/738280451.db2.gz	NITIWJFAOYCWAI-UHFFFAOYSA-N	-1	3	341.415	0.517	50	0		ECAAHM
CS(=O)(=O)[N-]c1ccc(C(=O)NCCN2CCOCC2)cc1	ZINC000020567889	202049135	/nfs/dbraw/zinc/04/91/35/202049135.db2.gz	WHOLJKFSYACVCF-UHFFFAOYSA-N	-1	3	327.406	0.120	50	0		ECAAHM
Cc1cc(NC(=O)C(=O)N2CCC[C@H](c3cc(=O)[n-]c(C)n3)C2)no1	ZINC000023250746	202100531	/nfs/dbraw/zinc/10/05/31/202100531.db2.gz	XFFIPJYOQNMGLY-NSHDSACASA-N	-1	3	345.359	0.719	50	0		ECAAHM
CC[C@](C)(CNC(=O)Cc1c(C)nc(C)[n-]c1=O)N1CCOCC1	ZINC000031419263	202206085	/nfs/dbraw/zinc/20/60/85/202206085.db2.gz	DIKQOCNDILVXHJ-QGZVFWFLSA-N	-1	3	336.436	0.546	50	0		ECAAHM
Cc1nc([C@H]2CCCN2C(=O)CSc2nc(C)cc(=O)[n-]2)n[nH]1	ZINC000215926002	241157687	/nfs/dbraw/zinc/15/76/87/241157687.db2.gz	KDAKRKMMXWWERI-SNVBAGLBSA-N	-1	3	334.405	0.961	50	0		ECAAHM
COc1cccc2c1OCCCN(C(=O)CN1CC(=O)[N-]C1=O)C2	ZINC000216389506	241189868	/nfs/dbraw/zinc/18/98/68/241189868.db2.gz	WSDVRNDINDJALY-UHFFFAOYSA-N	-1	3	333.344	0.358	50	0		ECAAHM
CN(C)c1nc([C@H]2C[C@@H](NC(=O)CCc3ccnn3C)C2)cc(=O)[n-]1	ZINC000253535413	244009500	/nfs/dbraw/zinc/00/95/00/244009500.db2.gz	XNKIUIQFAGPMBM-TXEJJXNPSA-N	-1	3	344.419	0.977	50	0		ECAAHM
Cn1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c(=O)[n-]c1=O	ZINC000253535255	244009669	/nfs/dbraw/zinc/00/96/69/244009669.db2.gz	MIJLPZAEQBLFFM-YDHLFZDLSA-N	-1	3	343.383	0.598	50	0		ECAAHM
Cc1cc(=O)n(CCN2CCC[C@@H](c3cc(=O)[n-]cn3)C2)c(=O)[nH]1	ZINC000253536609	244012965	/nfs/dbraw/zinc/01/29/65/244012965.db2.gz	YBWQHRZPABNVAH-GFCCVEGCSA-N	-1	3	331.376	0.633	50	0		ECAAHM
Nc1nc2c(c(=O)[nH]1)CCN(C(=O)Cc1ccc([O-])c(Cl)c1)C2	ZINC000071753900	203107473	/nfs/dbraw/zinc/10/74/73/203107473.db2.gz	BPOJFOFNJRHARK-UHFFFAOYSA-N	-1	3	334.763	0.839	50	0		ECAAHM
O=C(NCc1cc[nH]n1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000071853768	203129518	/nfs/dbraw/zinc/12/95/18/203129518.db2.gz	LAJGIVXHMIQQFT-UHFFFAOYSA-N	-1	3	338.364	0.920	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1	ZINC000071821375	203119935	/nfs/dbraw/zinc/11/99/35/203119935.db2.gz	ZHOTWABKJBJYMQ-VXGBXAGGSA-N	-1	3	337.763	0.838	50	0		ECAAHM
C[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)CN1CCN(C)CC1	ZINC000071972573	203155092	/nfs/dbraw/zinc/15/50/92/203155092.db2.gz	CHWMSZPJAOENKO-LLVKDONJSA-N	-1	3	349.888	0.235	50	0		ECAAHM
C[C@H](C(=O)N1CCc2c(nc(N)[n-]c2=O)C1)n1cnc2ccccc21	ZINC000072147258	203172144	/nfs/dbraw/zinc/17/21/44/203172144.db2.gz	TYNZOZXYWRWWMS-SNVBAGLBSA-N	-1	3	338.371	0.848	50	0		ECAAHM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCC2)s1	ZINC000072437751	203224574	/nfs/dbraw/zinc/22/45/74/203224574.db2.gz	BJJLYLWDDJTNJV-UHFFFAOYSA-N	-1	3	333.439	0.261	50	0		ECAAHM
CCc1cc(N2CCN(c3cc(=O)[n-]c(N)n3)CC2)n2nccc2n1	ZINC000072480885	203232602	/nfs/dbraw/zinc/23/26/02/203232602.db2.gz	UGZOGFMULPNWDI-UHFFFAOYSA-N	-1	3	340.391	0.284	50	0		ECAAHM
CN(Cc1nc(-c2ccccc2)no1)C(=O)CN1CC(=O)[N-]C1=O	ZINC000072438113	203224179	/nfs/dbraw/zinc/22/41/79/203224179.db2.gz	AGWUHEFVHXAVCU-UHFFFAOYSA-N	-1	3	329.316	0.247	50	0		ECAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1	ZINC000091487008	296164163	/nfs/dbraw/zinc/16/41/63/296164163.db2.gz	DDYHDMWVKBFVBQ-UHFFFAOYSA-N	-1	3	346.387	0.070	50	0		ECAAHM
Cc1ccc(C)c(N2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2)c1	ZINC000156866511	206102327	/nfs/dbraw/zinc/10/23/27/206102327.db2.gz	KNIGGMINTQSLGL-CQSZACIVSA-N	-1	3	344.415	0.940	50	0		ECAAHM
O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)CSCCN1CCCC1	ZINC000096149629	304205327	/nfs/dbraw/zinc/20/53/27/304205327.db2.gz	HNYDIXZZMMSBFP-CYBMUJFWSA-N	-1	3	338.433	0.577	50	0		ECAAHM
O=C(CCNC(=O)CNC(=O)c1cccc([O-])c1)Nc1ccncc1	ZINC000097162886	258068531	/nfs/dbraw/zinc/06/85/31/258068531.db2.gz	FEKWUJGCNHAUML-UHFFFAOYSA-N	-1	3	342.355	0.662	50	0		ECAAHM
CCn1cnnc1C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000293078439	296785628	/nfs/dbraw/zinc/78/56/28/296785628.db2.gz	NXOXJVHGAHZBAH-UHFFFAOYSA-N	-1	3	342.768	0.966	50	0		ECAAHM
COc1ccc([C@H](C(=O)[O-])N2CCN(C3CCN(C)CC3)CC2)cn1	ZINC000095382394	295233320	/nfs/dbraw/zinc/23/33/20/295233320.db2.gz	YQSVJHGNNQZVIN-QGZVFWFLSA-N	-1	3	348.447	0.928	50	0		ECAAHM
Cc1ccccc1N(CC(=O)[N-]C1=NCCS1)S(C)(=O)=O	ZINC000006646927	436003002	/nfs/dbraw/zinc/00/30/02/436003002.db2.gz	ZTRSFTCAKIBKTQ-UHFFFAOYSA-N	-1	3	327.431	0.980	50	0		ECAAHM
CCS(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000006706429	436003786	/nfs/dbraw/zinc/00/37/86/436003786.db2.gz	QOKRFTJDNRFMOL-UHFFFAOYSA-N	-1	3	334.419	0.469	50	0		ECAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1ccco1	ZINC000008775125	436031783	/nfs/dbraw/zinc/03/17/83/436031783.db2.gz	KCDVNEINGVPKNN-UHFFFAOYSA-N	-1	3	328.122	0.209	50	0		ECAAHM
Cc1nc(C)c(CCC(=O)NCc2nnc3ccccn32)c(=O)[n-]1	ZINC000014201617	436070033	/nfs/dbraw/zinc/07/00/33/436070033.db2.gz	HSTLVJBDGZUOLZ-UHFFFAOYSA-N	-1	3	326.360	0.678	50	0		ECAAHM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1	ZINC000016650875	436094304	/nfs/dbraw/zinc/09/43/04/436094304.db2.gz	GEDHTRDNVBMHCF-UHFFFAOYSA-N	-1	3	338.345	0.131	50	0		ECAAHM
NC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1	ZINC000040496165	436264939	/nfs/dbraw/zinc/26/49/39/436264939.db2.gz	KNOLMQBAFSDNJS-UHFFFAOYSA-N	-1	3	349.815	0.707	50	0		ECAAHM
Cc1ccc(F)c(S(=O)(=O)[N-]C2CCN(CC(N)=O)CC2)c1	ZINC000040523841	436267060	/nfs/dbraw/zinc/26/70/60/436267060.db2.gz	VVWHNSOTWFFZJC-UHFFFAOYSA-N	-1	3	329.397	0.362	50	0		ECAAHM
COc1ccc2[n-]cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)c2c1	ZINC000044889801	436350227	/nfs/dbraw/zinc/35/02/27/436350227.db2.gz	FROZJYSGWVUYKE-SECBINFHSA-N	-1	3	336.369	0.454	50	0		ECAAHM
NC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000048261582	436446552	/nfs/dbraw/zinc/44/65/52/436446552.db2.gz	COHLJYPTNIFERJ-UHFFFAOYSA-N	-1	3	337.854	0.630	50	0		ECAAHM
CSCc1nc(CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cs1	ZINC000091603200	436455310	/nfs/dbraw/zinc/45/53/10/436455310.db2.gz	IQOOASQAMZCMAA-QMMMGPOBSA-N	-1	3	328.419	0.611	50	0		ECAAHM
O=C(Cc1cnc[n-]c1=O)N1CC[C@@]2(C1)CCCN(CC1CC1)C2=O	ZINC000091780851	436461223	/nfs/dbraw/zinc/46/12/23/436461223.db2.gz	NWFZJELSVZWURR-GOSISDBHSA-N	-1	3	344.415	0.564	50	0		ECAAHM
O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCc2n[nH]cc2C1	ZINC000095389048	436495097	/nfs/dbraw/zinc/49/50/97/436495097.db2.gz	NRYLBWQCEHJNSI-UHFFFAOYSA-N	-1	3	325.328	0.664	50	0		ECAAHM
CN1CC[C@@H](CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)c2ccccc21	ZINC000097915160	436543214	/nfs/dbraw/zinc/54/32/14/436543214.db2.gz	GAEDBWMKUFNMPZ-WCQYABFASA-N	-1	3	330.388	0.715	50	0		ECAAHM
O=C(CNC(=O)c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCCC1	ZINC000097632077	436544618	/nfs/dbraw/zinc/54/46/18/436544618.db2.gz	KKIIOWLUZBSWKR-UHFFFAOYSA-N	-1	3	330.344	0.095	50	0		ECAAHM
Cc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c([O-])c1	ZINC000054772467	436557652	/nfs/dbraw/zinc/55/76/52/436557652.db2.gz	YYLADHUVIZEACV-UHFFFAOYSA-N	-1	3	347.415	0.317	50	0		ECAAHM
CCN1CCN([C@H](C)C[N-]S(=O)(=O)c2cn(C(C)C)cn2)CC1	ZINC000195574139	436694135	/nfs/dbraw/zinc/69/41/35/436694135.db2.gz	HZGYCBSWKHRPOK-CQSZACIVSA-N	-1	3	343.497	0.768	50	0		ECAAHM
CC(C)[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000248023654	436799175	/nfs/dbraw/zinc/79/91/75/436799175.db2.gz	KOYHYIXVOFGDGD-ZDEQEGDKSA-N	-1	3	327.425	0.482	50	0		ECAAHM
CCOCCS(=O)(=O)[N-]CC(=O)N1CCOc2cc(C)ccc21	ZINC000268149532	437374726	/nfs/dbraw/zinc/37/47/26/437374726.db2.gz	BBKDPMQZCDOIRN-UHFFFAOYSA-N	-1	3	342.417	0.676	50	0		ECAAHM
Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1	ZINC000192625059	437682859	/nfs/dbraw/zinc/68/28/59/437682859.db2.gz	OLLCSKHMQYNUSG-KGLIPLIRSA-N	-1	3	333.436	0.790	50	0		ECAAHM
CC(=O)N1CC[C@@H](NC(=O)c2c[n-]c3c(F)cccc3c2=O)[C@H](O)C1	ZINC000426428682	438059315	/nfs/dbraw/zinc/05/93/15/438059315.db2.gz	BMAJLKITNWFZEQ-ZIAGYGMSSA-N	-1	3	347.346	0.379	50	0		ECAAHM
CCC(=O)NCc1cc2n(n1)CCN(Cc1cc(=O)[n-]c(=O)[nH]1)C2	ZINC000426430640	438060473	/nfs/dbraw/zinc/06/04/73/438060473.db2.gz	HHHUZFQQBJFRDR-UHFFFAOYSA-N	-1	3	332.364	0.126	50	0		ECAAHM
Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cncc(=O)[n-]2)n1	ZINC000426552064	438065306	/nfs/dbraw/zinc/06/53/06/438065306.db2.gz	UGPUSXXVQVQWJR-UHFFFAOYSA-N	-1	3	327.266	0.860	50	0		ECAAHM
CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)C(OC)OC	ZINC000408521347	438581582	/nfs/dbraw/zinc/58/15/82/438581582.db2.gz	PYPKMJNTCRJOQH-JTQLQIEISA-N	-1	3	331.394	0.117	50	0		ECAAHM
C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN[C@@H]1CCc2ncnn2C1	ZINC000588084850	438817757	/nfs/dbraw/zinc/81/77/57/438817757.db2.gz	FBBZSZGPAGVQNX-WCQYABFASA-N	-1	3	329.408	0.411	50	0		ECAAHM
CCc1ccc([C@H](COC)[N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)o1	ZINC000585115731	439632522	/nfs/dbraw/zinc/63/25/22/439632522.db2.gz	QHMYMSFATASDOE-KBPBESRZSA-N	-1	3	346.449	0.780	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-][C@H]2CCN(c3ncnc4c3CCC4)C2)c1	ZINC000075876923	545690458	/nfs/dbraw/zinc/69/04/58/545690458.db2.gz	SKLPNQANFCDTJL-NSHDSACASA-N	-1	3	348.432	0.256	50	0		ECAAHM
Cc1cc(CN2CCN(C(=O)CNC3CC3)C[C@H](C(=O)[O-])C2)on1	ZINC000097334358	545729629	/nfs/dbraw/zinc/72/96/29/545729629.db2.gz	KMOIDSBGJFRFPV-GFCCVEGCSA-N	-1	3	336.392	0.080	50	0		ECAAHM
O=C(c1cnc(C2CC2)[n-]c1=O)N1CCN([C@H]2CCCC[C@@H]2O)CC1	ZINC000097546536	545732702	/nfs/dbraw/zinc/73/27/02/545732702.db2.gz	CWWIQQJGCJFOAU-GJZGRUSLSA-N	-1	3	346.431	0.709	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCC(c2nnc3ccccn32)CC1	ZINC000097597462	545733035	/nfs/dbraw/zinc/73/30/35/545733035.db2.gz	ALOINGXDJCOQLT-LLVKDONJSA-N	-1	3	342.359	0.033	50	0		ECAAHM
CCc1nc(=N[C@H]2CC(=O)N(CCN(C)CCOC)C2)s[n-]1	ZINC000585092165	546287864	/nfs/dbraw/zinc/28/78/64/546287864.db2.gz	HQTLKOZZIVHHPE-NSHDSACASA-N	-1	3	327.454	0.113	50	0		ECAAHM
CCCCC12CN3CC(C)(CN(C1)C3c1c(C)[nH]c(=O)[n-]c1=O)C2=O	ZINC000019329872	202004457	/nfs/dbraw/zinc/00/44/57/202004457.db2.gz	ZHAJLOQJHDTFOU-UHFFFAOYSA-N	-1	3	346.431	0.767	50	0		ECAAHM
O=c1ccc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCCO3)s2)n[nH]1	ZINC000021531499	202066020	/nfs/dbraw/zinc/06/60/20/202066020.db2.gz	GELKEVNXJBCKSX-SECBINFHSA-N	-1	3	341.414	0.956	50	0		ECAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H](C)COC)cc(C(C)C)nc21	ZINC000032060309	202220525	/nfs/dbraw/zinc/22/05/25/202220525.db2.gz	QSYSIECFVLUXCS-JTQLQIEISA-N	-1	3	348.403	0.993	50	0		ECAAHM
O=C(C[N-]S(=O)(=O)/C=C\c1ccccc1)O[C@@H]1CCOC1=O	ZINC000033438712	202261950	/nfs/dbraw/zinc/26/19/50/202261950.db2.gz	NNAIANGKKQSNFB-ZVTBTPLYSA-N	-1	3	325.342	0.435	50	0		ECAAHM
COc1cccc2c1OCCCN(C(=O)c1cn(C)c(=O)[n-]c1=O)C2	ZINC000215652891	241138265	/nfs/dbraw/zinc/13/82/65/241138265.db2.gz	LBQVHRPGBYPOSK-UHFFFAOYSA-N	-1	3	345.355	0.507	50	0		ECAAHM
O=C(Cc1cnc[n-]c1=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1	ZINC000218988278	241356856	/nfs/dbraw/zinc/35/68/56/241356856.db2.gz	DBYJULAJWWJXFY-HUUCEWRRSA-N	-1	3	344.371	0.198	50	0		ECAAHM
Cn1cc([C@@H](NC(=O)c2ccc3n[n-]nc3c2)[C@H]2C[C@H](O)C2)cn1	ZINC000219300482	241377146	/nfs/dbraw/zinc/37/71/46/241377146.db2.gz	QKBZGWOFPIHWTO-NVBFEUDRSA-N	-1	3	326.360	0.933	50	0		ECAAHM
CC[C@@H](C)[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C(=O)OC	ZINC000069622132	203028160	/nfs/dbraw/zinc/02/81/60/203028160.db2.gz	DLMYCVQHSSMVJS-SKDRFNHKSA-N	-1	3	348.446	0.730	50	0		ECAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(C)=O)c(=O)[n-]c1=O	ZINC000069529402	203014255	/nfs/dbraw/zinc/01/42/55/203014255.db2.gz	VMTGBZVCLFIYOB-UHFFFAOYSA-N	-1	3	332.360	0.318	50	0		ECAAHM
Cc1nc2c(c(=O)[n-]1)CCN(S(=O)(=O)NCc1ccccc1)CC2	ZINC000072164035	203178146	/nfs/dbraw/zinc/17/81/46/203178146.db2.gz	MZAPRUDWRUWKLV-UHFFFAOYSA-N	-1	3	348.428	0.514	50	0		ECAAHM
CN1C[C@@H](NC(=O)c2ccccc2N2CCOCC2)C[C@H]1C(=O)[O-]	ZINC000299772474	258084920	/nfs/dbraw/zinc/08/49/20/258084920.db2.gz	YXXQPXSNZLPSKZ-WFASDCNBSA-N	-1	3	333.388	0.410	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)c(=O)[n-]1	ZINC000299796751	258101068	/nfs/dbraw/zinc/10/10/68/258101068.db2.gz	NSTNOXPSTPCCHC-UONOGXRCSA-N	-1	3	344.375	0.305	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)c(=O)[n-]1	ZINC000299757512	258075461	/nfs/dbraw/zinc/07/54/61/258075461.db2.gz	IJCVRNAFJPCUKN-KBPBESRZSA-N	-1	3	344.375	0.305	50	0		ECAAHM
O=C1C[C@@H](Nc2cc(=O)[n-]c(=O)[nH]2)C(=O)N1c1ccccc1Cl	ZINC000000495164	435956755	/nfs/dbraw/zinc/95/67/55/435956755.db2.gz	JXERPFJWDKQVHB-MRVPVSSYSA-N	-1	3	334.719	0.461	50	0		ECAAHM
COc1ccc(CCn2c3nc(N)sc3c(=O)[n-]c2=O)cc1OC	ZINC000008733323	436032239	/nfs/dbraw/zinc/03/22/39/436032239.db2.gz	NWBGUZPNAXSKQD-UHFFFAOYSA-N	-1	3	348.384	0.988	50	0		ECAAHM
C[C@H](N)C(=O)NC[C@H](CC(=O)NCC(=O)[O-])c1ccc(Cl)cc1	ZINC000008766482	436032284	/nfs/dbraw/zinc/03/22/84/436032284.db2.gz	UMOVDAKOMCRRED-ONGXEEELSA-N	-1	3	341.795	0.478	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)OCc1nc(-c2ccc(F)cc2)no1	ZINC000025384826	436150958	/nfs/dbraw/zinc/15/09/58/436150958.db2.gz	JULYLGGLQQGYPQ-JTQLQIEISA-N	-1	3	348.290	0.907	50	0		ECAAHM
C[C@H](Oc1ccccc1Br)C(=O)NN1CC(=O)[N-]C1=O	ZINC000079028344	436286879	/nfs/dbraw/zinc/28/68/79/436286879.db2.gz	AEPVUCMAPCBGHH-ZETCQYMHSA-N	-1	3	342.149	0.799	50	0		ECAAHM
O=C(NCCCN1CCOCC1)C(=O)Nc1cc(Cl)ccc1[O-]	ZINC000040268826	436261734	/nfs/dbraw/zinc/26/17/34/436261734.db2.gz	WWNVOHWZZBYAMX-UHFFFAOYSA-N	-1	3	341.795	0.823	50	0		ECAAHM
COc1cc2c(cc1OC)CN(C(=O)C[C@H]1NC(=O)[N-]C1=O)CC2	ZINC000042814153	436319224	/nfs/dbraw/zinc/31/92/24/436319224.db2.gz	WSXXXZQPGQRXBD-LLVKDONJSA-N	-1	3	333.344	0.187	50	0		ECAAHM
CN1CCCN(CC(=O)N2C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C2)CC1	ZINC000091656971	436457528	/nfs/dbraw/zinc/45/75/28/436457528.db2.gz	PNUAUWTUPQHECU-JKSUJKDBSA-N	-1	3	346.431	0.346	50	0		ECAAHM
O=C(Cc1cnc[n-]c1=O)N1CC[C@]2(C1)CCCN(CC1CC1)C2=O	ZINC000091780854	436460318	/nfs/dbraw/zinc/46/03/18/436460318.db2.gz	NWFZJELSVZWURR-SFHVURJKSA-N	-1	3	344.415	0.564	50	0		ECAAHM
COc1cccc2c(=O)c(C(=O)N3CCN(C(C)=O)CC3)c[n-]c12	ZINC000049545764	436469516	/nfs/dbraw/zinc/46/95/16/436469516.db2.gz	HQXMEAPUAJYADE-UHFFFAOYSA-N	-1	3	329.356	0.841	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)NCCOc1ccc2ccccc2c1	ZINC000095395187	436493125	/nfs/dbraw/zinc/49/31/25/436493125.db2.gz	LZSUHNRTVNGDMH-UHFFFAOYSA-N	-1	3	327.340	0.887	50	0		ECAAHM
O=C(NCCN1CCCC[C@@H]1CO)c1ccccc1-c1nnn[n-]1	ZINC000097679947	436544731	/nfs/dbraw/zinc/54/47/31/436544731.db2.gz	CZIQTIGRCKXDAY-GFCCVEGCSA-N	-1	3	330.392	0.443	50	0		ECAAHM
CN1N=C(C(=O)NCCCNC(=O)c2cccc([O-])c2)CCC1=O	ZINC000058380290	436625338	/nfs/dbraw/zinc/62/53/38/436625338.db2.gz	ZWFDOIBVCQVOPI-UHFFFAOYSA-N	-1	3	332.360	0.237	50	0		ECAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(C(C)C)CC1	ZINC000057478132	436612643	/nfs/dbraw/zinc/61/26/43/436612643.db2.gz	DDJYEJFTPIOETM-UHFFFAOYSA-N	-1	3	330.410	0.301	50	0		ECAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(C(C)C)CC1	ZINC000057478132	436612647	/nfs/dbraw/zinc/61/26/47/436612647.db2.gz	DDJYEJFTPIOETM-UHFFFAOYSA-N	-1	3	330.410	0.301	50	0		ECAAHM
O=C(CNC(=O)c1ccco1)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000058218418	436621660	/nfs/dbraw/zinc/62/16/60/436621660.db2.gz	XYJZRXSJZMJNIS-UHFFFAOYSA-N	-1	3	328.284	0.590	50	0		ECAAHM
O=C(CNC(=O)c1ccco1)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000058218418	436621663	/nfs/dbraw/zinc/62/16/63/436621663.db2.gz	XYJZRXSJZMJNIS-UHFFFAOYSA-N	-1	3	328.284	0.590	50	0		ECAAHM
Cc1cc(C(F)(F)F)nn1CCNC(=O)c1cn(C)c(=O)[n-]c1=O	ZINC000223233417	436704150	/nfs/dbraw/zinc/70/41/50/436704150.db2.gz	WJCONDJCFSOPSK-UHFFFAOYSA-N	-1	3	345.281	0.027	50	0		ECAAHM
Cc1cc([N-]C(=O)[C@H](C)N2CCO[C@@H](Cn3nc(C)nc3C)C2)on1	ZINC000229500961	436714313	/nfs/dbraw/zinc/71/43/13/436714313.db2.gz	DWPKWFQNYJCNER-SMDDNHRTSA-N	-1	3	348.407	0.919	50	0		ECAAHM
O=C1[C@@H]([N-]S(=O)(=O)CC2CCOCC2)CN1c1ccc(F)cc1	ZINC000253429146	436845018	/nfs/dbraw/zinc/84/50/18/436845018.db2.gz	QNMWWPNTCWMJOF-AWEZNQCLSA-N	-1	3	342.392	0.887	50	0		ECAAHM
COCCN1CCCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1	ZINC000329185724	437331356	/nfs/dbraw/zinc/33/13/56/437331356.db2.gz	QGYMLNWEFCCUEW-UHFFFAOYSA-N	-1	3	336.436	0.912	50	0		ECAAHM
C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000192660495	437685836	/nfs/dbraw/zinc/68/58/36/437685836.db2.gz	OKLNHDXPNQUROG-IPJQOSJUSA-N	-1	3	336.436	0.553	50	0		ECAAHM
C[C@H](Cn1cccn1)C(=O)NC1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000426434104	438059547	/nfs/dbraw/zinc/05/95/47/438059547.db2.gz	MMEPSFXTZXOSDY-LLVKDONJSA-N	-1	3	345.407	0.382	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H](C)C(=O)[O-])CC1=O	ZINC000377118565	438301953	/nfs/dbraw/zinc/30/19/53/438301953.db2.gz	DNAUKOFEQLTDIK-JHJVBQTASA-N	-1	3	325.409	0.251	50	0		ECAAHM
C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)NCCN(C)C	ZINC000583651778	439495506	/nfs/dbraw/zinc/49/55/06/439495506.db2.gz	SHNMQTGYUBUJJY-SECBINFHSA-N	-1	3	335.376	0.309	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-][C@@H]2CCN(c3ncnc4c3CCC4)C2)c1	ZINC000075876922	545690162	/nfs/dbraw/zinc/69/01/62/545690162.db2.gz	SKLPNQANFCDTJL-LLVKDONJSA-N	-1	3	348.432	0.256	50	0		ECAAHM
COC[C@@H]1[C@H]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)[C@@H]2CCO[C@H]12	ZINC000222473991	545923403	/nfs/dbraw/zinc/92/34/03/545923403.db2.gz	RFCOLNMAMGEDHI-ZDCRXTMVSA-N	-1	3	349.840	0.710	50	0		ECAAHM
CC(C)Cc1cc(C[N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)on1	ZINC000670451106	548014424	/nfs/dbraw/zinc/01/44/24/548014424.db2.gz	DWCUWYLHGJFQEM-GFCCVEGCSA-N	-1	3	336.435	0.480	50	0		ECAAHM
CC(C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])S(C)(=O)=O	ZINC000261979230	201202002	/nfs/dbraw/zinc/20/20/02/201202002.db2.gz	ZXLQEOGVDALJIY-TVQRCGJNSA-N	-1	3	338.385	0.713	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1cc(-c2cnccn2)nn1C	ZINC000253473504	201188313	/nfs/dbraw/zinc/18/83/13/201188313.db2.gz	VQLQAYVKNORZHP-UHFFFAOYSA-N	-1	3	348.388	0.960	50	0		ECAAHM
Cn1cc(C(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)c(=O)[n-]c1=O	ZINC000215148341	241109998	/nfs/dbraw/zinc/10/99/98/241109998.db2.gz	UVHZXTRXBKMUQY-NSHDSACASA-N	-1	3	342.355	0.204	50	0		ECAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N(Cc1ccccn1)C[C@H]1CCCO1	ZINC000215904093	241153307	/nfs/dbraw/zinc/15/33/07/241153307.db2.gz	LFWVJDWRGLCQBB-GFCCVEGCSA-N	-1	3	330.344	0.280	50	0		ECAAHM
CC(=O)N1CCC(C(=O)NCCNC(=O)c2ccc([O-])cc2)CC1	ZINC000065402303	202842856	/nfs/dbraw/zinc/84/28/56/202842856.db2.gz	XWURCKLGDWRSCY-UHFFFAOYSA-N	-1	3	333.388	0.497	50	0		ECAAHM
Nc1nc(N2CCN(C(=O)CCCn3cccn3)CC2)cc(=O)[n-]1	ZINC000253536183	244012798	/nfs/dbraw/zinc/01/27/98/244012798.db2.gz	KBWQNBGLGOHAHB-UHFFFAOYSA-N	-1	3	331.380	0.090	50	0		ECAAHM
Nc1nc(N2CCN(C[C@H]3COc4ccccc4O3)CC2)cc(=O)[n-]1	ZINC000253536488	244012952	/nfs/dbraw/zinc/01/29/52/244012952.db2.gz	GQWAWLLQROAACE-LBPRGKRZSA-N	-1	3	343.387	0.726	50	0		ECAAHM
Nc1nc2c(c(=O)[n-]1)CCN(C(=O)Cc1noc3ccccc13)C2	ZINC000071748651	203106118	/nfs/dbraw/zinc/10/61/18/203106118.db2.gz	URUIVEPARDXUJE-UHFFFAOYSA-N	-1	3	325.328	0.621	50	0		ECAAHM
CCn1cnc(S(=O)(=O)[N-][C@H]2CCCN(c3ncccn3)C2)c1	ZINC000072310244	203199655	/nfs/dbraw/zinc/19/96/55/203199655.db2.gz	JFJCRBOLTLWSEX-LBPRGKRZSA-N	-1	3	336.421	0.640	50	0		ECAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCN(CCOc2ccccc2)CC1	ZINC000077536656	203394144	/nfs/dbraw/zinc/39/41/44/203394144.db2.gz	CIPVFMZRRSVQIZ-UHFFFAOYSA-N	-1	3	344.371	0.312	50	0		ECAAHM
O=C(N[C@@H]1CCN(C(=O)c2cccc([O-])c2)C[C@H]1O)c1ccncc1	ZINC000077554240	203394886	/nfs/dbraw/zinc/39/48/86/203394886.db2.gz	OWWOVHFVBXYDDI-HZPDHXFCSA-N	-1	3	341.367	0.793	50	0		ECAAHM
COc1ccc(NC(=O)NCCNc2nc(C)cc(=O)[n-]2)c(OC)n1	ZINC000096138387	203841686	/nfs/dbraw/zinc/84/16/86/203841686.db2.gz	MVHMAGZTSWMHHN-UHFFFAOYSA-N	-1	3	348.363	0.724	50	0		ECAAHM
CO[C@]12CCN(C(=O)Cc3c(C)nc(C)[n-]c3=O)[C@H]1C[C@H](O)CC2	ZINC000299786894	258093500	/nfs/dbraw/zinc/09/35/00/258093500.db2.gz	NVGMTQLNDLDUQV-HACGYAERSA-N	-1	3	335.404	0.872	50	0		ECAAHM
CSc1ncc(C(=O)NCCCN2CCC(O)CC2)c(=O)[n-]1	ZINC000299786606	258093525	/nfs/dbraw/zinc/09/35/25/258093525.db2.gz	WOTDMBGIMZEBAM-UHFFFAOYSA-N	-1	3	326.422	0.481	50	0		ECAAHM
Cc1cc(=O)cc(C(=O)N2CCc3nc(N(C)C)[n-]c(=O)c3CC2)o1	ZINC000299801077	258104212	/nfs/dbraw/zinc/10/42/12/258104212.db2.gz	VMTJQJDLWIIYIL-UHFFFAOYSA-N	-1	3	344.371	0.751	50	0		ECAAHM
COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SC)c1	ZINC000004061396	435977710	/nfs/dbraw/zinc/97/77/10/435977710.db2.gz	XRWKRNZGRIMRIJ-UHFFFAOYSA-N	-1	3	345.384	0.965	50	0		ECAAHM
Cc1cc(COC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)no1	ZINC000007631734	436016533	/nfs/dbraw/zinc/01/65/33/436016533.db2.gz	ILDDDZYKZIGFBK-UHFFFAOYSA-N	-1	3	329.334	0.610	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(c2ccccc2F)CC1	ZINC000015433385	436081450	/nfs/dbraw/zinc/08/14/50/436081450.db2.gz	YZTAWHNTVMIFJE-LBPRGKRZSA-N	-1	3	334.351	0.463	50	0		ECAAHM
COc1ccccc1OC1(C(=O)[O-])CCN(C(CO)CO)CC1	ZINC000082114794	436360640	/nfs/dbraw/zinc/36/06/40/436360640.db2.gz	RGSHFHPCVGCSIJ-UHFFFAOYSA-N	-1	3	325.361	0.346	50	0		ECAAHM
C[C@H]1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C[C@H](C)O1	ZINC000045857139	436378209	/nfs/dbraw/zinc/37/82/09/436378209.db2.gz	SZJIWUXEIUWTRZ-RYUDHWBXSA-N	-1	3	343.383	0.894	50	0		ECAAHM
Cc1cc(S(=O)(=O)[N-]C[C@H]2CN(C)CCN2C)c(F)cc1F	ZINC000084674506	436382139	/nfs/dbraw/zinc/38/21/39/436382139.db2.gz	PXXDCHIZVWXYJM-NSHDSACASA-N	-1	3	333.404	0.797	50	0		ECAAHM
C[C@]1(c2ccccc2)CCCN(S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)C1	ZINC000092002229	436465446	/nfs/dbraw/zinc/46/54/46/436465446.db2.gz	JGDUKYADLZFHLC-INIZCTEOSA-N	-1	3	349.412	0.806	50	0		ECAAHM
Cc1ccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)s1	ZINC000096164629	436518079	/nfs/dbraw/zinc/51/80/79/436518079.db2.gz	HBDYFWVAZTVCGM-BXUZGUMPSA-N	-1	3	344.458	0.835	50	0		ECAAHM
Cc1nnc([N-]C(=O)c2ccc3c(c2)S(=O)(=O)N(C)C3=O)s1	ZINC000050925183	436480260	/nfs/dbraw/zinc/48/02/60/436480260.db2.gz	AMMOMFGEKKIKMF-UHFFFAOYSA-N	-1	3	338.370	0.873	50	0		ECAAHM
Cc1cc(=O)[n-]c(CCNC(=O)c2cnc(-c3ccncc3)nc2)n1	ZINC000095379828	436491732	/nfs/dbraw/zinc/49/17/32/436491732.db2.gz	PDTLMUVYUXSOHB-UHFFFAOYSA-N	-1	3	336.355	0.903	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1noc(-c2ccsc2)n1	ZINC000097989786	436546647	/nfs/dbraw/zinc/54/66/47/436546647.db2.gz	DVZVUUFDYLLLHQ-MRVPVSSYSA-N	-1	3	335.345	0.403	50	0		ECAAHM
COc1ccc2c(c1)C=C(C(=O)N(CCN(C)C)CC(=O)[O-])CO2	ZINC000532865893	302085884	/nfs/dbraw/zinc/08/58/84/302085884.db2.gz	JYHNLIBDVCYAQI-UHFFFAOYSA-N	-1	3	334.372	0.946	50	0		ECAAHM
CCn1ncc(C(=O)N2CCc3nc(N(C)C)[n-]c(=O)c3CC2)c1C	ZINC000065409715	436660121	/nfs/dbraw/zinc/66/01/21/436660121.db2.gz	ZYLXPVWTCORDEF-UHFFFAOYSA-N	-1	3	344.419	0.602	50	0		ECAAHM
Cn1cc([C@@H](NC(=O)c2ccc3n[n-]nc3c2)[C@H]2C[C@@H](O)C2)cn1	ZINC000219881467	436696840	/nfs/dbraw/zinc/69/68/40/436696840.db2.gz	QKBZGWOFPIHWTO-WBIUFABUSA-N	-1	3	326.360	0.933	50	0		ECAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)NCCCc1nc2cc(F)ccc2[nH]1	ZINC000221372589	436701051	/nfs/dbraw/zinc/70/10/51/436701051.db2.gz	LRIGMFYIKBYAHS-UHFFFAOYSA-N	-1	3	345.334	0.370	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1	ZINC000223117937	436704403	/nfs/dbraw/zinc/70/44/03/436704403.db2.gz	SRGGTPKXZFXNFQ-ZIAGYGMSSA-N	-1	3	347.371	0.029	50	0		ECAAHM
Cc1ncc(C(=O)NCc2csc(-c3cnccn3)n2)c(=O)[n-]1	ZINC000223890612	436708305	/nfs/dbraw/zinc/70/83/05/436708305.db2.gz	VHRXKDBWIOUTSD-UHFFFAOYSA-N	-1	3	328.357	0.922	50	0		ECAAHM
COc1ccc(CCC(=O)N2CC(n3c([O-])coc3=O)C2)c(OC)c1	ZINC000238844919	436757159	/nfs/dbraw/zinc/75/71/59/436757159.db2.gz	ICSQYPTZVXZTIP-UHFFFAOYSA-N	-1	3	348.355	0.826	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCN(Cc2cc(C)no2)CC1	ZINC000254508362	436849265	/nfs/dbraw/zinc/84/92/65/436849265.db2.gz	KXZKSMZCUYTUNB-UHFFFAOYSA-N	-1	3	346.435	0.768	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C)n3ccnc32)cn1	ZINC000408522185	438582454	/nfs/dbraw/zinc/58/24/54/438582454.db2.gz	FERXBKVYJSZUEA-KOLCDFICSA-N	-1	3	335.389	0.622	50	0		ECAAHM
CCCc1nc(C[N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cs1	ZINC000534579713	439530055	/nfs/dbraw/zinc/53/00/55/439530055.db2.gz	ZUQWDBJOIVYVDY-SNVBAGLBSA-N	-1	3	338.476	0.702	50	0		ECAAHM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(C2CCOCC2)CC1	ZINC000222511960	545923370	/nfs/dbraw/zinc/92/33/70/545923370.db2.gz	SLIJLFYRBJGNON-UHFFFAOYSA-N	-1	3	342.399	0.860	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CCNC(=O)c2cc3ccccc3o2)c1	ZINC000206633564	564005260	/nfs/dbraw/zinc/00/52/60/564005260.db2.gz	UHPFOSMTKQJFOW-UHFFFAOYSA-N	-1	3	348.384	0.875	50	0		ECAAHM
COc1cc(OC)c(CN2C[C@@H](CO)[C@H](CO)C2)c(C(=O)[O-])c1	ZINC000097655507	219044399	/nfs/dbraw/zinc/04/43/99/219044399.db2.gz	NPXMZTRQYFMSDF-QWRGUYRKSA-N	-1	3	325.361	0.435	50	0		ECAAHM
CCC12CN3CC(CC)(CN(C1)C3c1c(C)[nH]c(=O)[n-]c1=O)C2=O	ZINC000019329869	282531108	/nfs/dbraw/zinc/53/11/08/282531108.db2.gz	IKZQXWIIDWYYIQ-UHFFFAOYSA-N	-1	3	332.404	0.377	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)N1CCOCC1)CNCC2	ZINC000067908518	215246879	/nfs/dbraw/zinc/24/68/79/215246879.db2.gz	TXWWFTSSWXCPIA-UHFFFAOYSA-N	-1	3	332.403	0.113	50	0		ECAAHM
CN1CCN(C(=O)CC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1	ZINC000040549119	213346642	/nfs/dbraw/zinc/34/66/42/213346642.db2.gz	RDRXQOLEEFWQOH-UHFFFAOYSA-N	-1	3	347.387	0.407	50	0		ECAAHM
NC(=O)[C@@H]1CC(C(=O)Nc2ncccc2[O-])=NN1c1ccc(F)cc1	ZINC000096435760	283316388	/nfs/dbraw/zinc/31/63/88/283316388.db2.gz	XTHOGIFFOYTKGZ-LBPRGKRZSA-N	-1	3	343.318	0.985	50	0		ECAAHM
COc1cccc2c1OC[C@H](C(=O)N1CCc3c(nc[n-]c3=O)C1)C2	ZINC000072165967	216056152	/nfs/dbraw/zinc/05/61/52/216056152.db2.gz	YFAMKZUJXAQDSB-GFCCVEGCSA-N	-1	3	341.367	0.915	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCCN(Cc2cccnc2)CC1	ZINC000072420248	216209183	/nfs/dbraw/zinc/20/91/83/216209183.db2.gz	MANHKZLBOFSOFK-AWEZNQCLSA-N	-1	3	345.403	0.104	50	0		ECAAHM
COc1cccc(CN2CCN(C(=O)[C@@H](N)CCC(=O)[O-])CC2=O)c1	ZINC000072432707	216226602	/nfs/dbraw/zinc/22/66/02/216226602.db2.gz	YGFRBEAVQSWVBP-AWEZNQCLSA-N	-1	3	349.387	0.058	50	0		ECAAHM
Cc1nc(CNC(=O)c2cn3c4c(cccc4c2=O)CC3)cc(=O)[n-]1	ZINC000023250811	212364964	/nfs/dbraw/zinc/36/49/64/212364964.db2.gz	IKRKAFUSRQNJFP-UHFFFAOYSA-N	-1	3	336.351	0.879	50	0		ECAAHM
Nc1nnc(SCC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)s1	ZINC000020494098	212140422	/nfs/dbraw/zinc/14/04/22/212140422.db2.gz	MRJVAHVUESZMTR-UHFFFAOYSA-N	-1	3	335.370	0.735	50	0		ECAAHM
Cn1c(=O)[nH]c(=O)c2nc(CCC(=O)NC3CCCCC3)c(=O)[n-]c21	ZINC000253630034	244042364	/nfs/dbraw/zinc/04/23/64/244042364.db2.gz	XSMRFGBIOSXCAF-UHFFFAOYSA-N	-1	3	347.375	0.516	50	0		ECAAHM
CN(C)S(=O)(=O)CCCN1C[C@@H](C(=O)[O-])[C@H](c2ccccn2)C1	ZINC000091691354	218047989	/nfs/dbraw/zinc/04/79/89/218047989.db2.gz	WWASLOBZMWTXBA-CHWSQXEVSA-N	-1	3	341.433	0.463	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCCc1noc(C2CCCC2)n1	ZINC000091694745	218049307	/nfs/dbraw/zinc/04/93/07/218049307.db2.gz	NQLQFIJHNCZDEI-SNVBAGLBSA-N	-1	3	335.364	0.374	50	0		ECAAHM
NC(=O)c1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])cc1	ZINC000091656238	218041100	/nfs/dbraw/zinc/04/11/00/218041100.db2.gz	HBFSQCZZTPZVGN-ZDUSSCGKSA-N	-1	3	331.372	0.341	50	0		ECAAHM
COCCc1noc([C@H]2CCCN(C(=O)c3cnc(C)[n-]c3=O)C2)n1	ZINC000091755553	218059134	/nfs/dbraw/zinc/05/91/34/218059134.db2.gz	TVZAVMQXRRIQQG-NSHDSACASA-N	-1	3	347.375	0.670	50	0		ECAAHM
CC1(C)SC[C@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)NC1=O	ZINC000299778484	258088359	/nfs/dbraw/zinc/08/83/59/258088359.db2.gz	JLNCWBBECFXOQF-LLVKDONJSA-N	-1	3	346.416	0.493	50	0		ECAAHM
CC1(C)SC[C@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)NC1=O	ZINC000299778484	258088361	/nfs/dbraw/zinc/08/83/61/258088361.db2.gz	JLNCWBBECFXOQF-LLVKDONJSA-N	-1	3	346.416	0.493	50	0		ECAAHM
Cc1nc2c(c(=O)[n-]1)CCN(CCCS(=O)(=O)N(C)C)CC2	ZINC000253536451	279103834	/nfs/dbraw/zinc/10/38/34/279103834.db2.gz	RIBFUICKGQNZSH-UHFFFAOYSA-N	-1	3	328.438	0.173	50	0		ECAAHM
COc1ccc(NC(=O)C[C@@H](CN2CCN(C)CC2)C(=O)[O-])cc1	ZINC000071280336	295157789	/nfs/dbraw/zinc/15/77/89/295157789.db2.gz	YTXXRDUMYFSBKF-ZDUSSCGKSA-N	-1	3	335.404	0.972	50	0		ECAAHM
O=C1C[C@H](Nc2c[nH]c(=O)[n-]c2=O)C(=O)N1c1ccccc1Cl	ZINC000000146753	435948937	/nfs/dbraw/zinc/94/89/37/435948937.db2.gz	SFMROWKOKHBCCK-QMMMGPOBSA-N	-1	3	334.719	0.461	50	0		ECAAHM
Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1S(N)(=O)=O	ZINC000006784550	436002102	/nfs/dbraw/zinc/00/21/02/436002102.db2.gz	RDTIVAVCJFJNBK-UHFFFAOYSA-N	-1	3	327.387	0.717	50	0		ECAAHM
CC(C)N1CCN(C(=O)Cn2[n-]c(=O)c3ccccc3c2=O)CC1	ZINC000025135930	436145960	/nfs/dbraw/zinc/14/59/60/436145960.db2.gz	JDGHNASDXRNOTB-UHFFFAOYSA-N	-1	3	330.388	0.655	50	0		ECAAHM
C[C@@H](O)CC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl	ZINC000084637297	436381716	/nfs/dbraw/zinc/38/17/16/436381716.db2.gz	GHSXNMACCIHVMD-MRVPVSSYSA-N	-1	3	341.838	0.793	50	0		ECAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]CCn1cnc(C)cc1=O	ZINC000090592418	436434639	/nfs/dbraw/zinc/43/46/39/436434639.db2.gz	AZFUIGFRQYWHQV-UHFFFAOYSA-N	-1	3	341.364	0.678	50	0		ECAAHM
Cc1cc(C(F)(F)F)nn1CCNC(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000091304140	436448069	/nfs/dbraw/zinc/44/80/69/436448069.db2.gz	XBQUXEZCNQHIKF-MRVPVSSYSA-N	-1	3	347.297	0.315	50	0		ECAAHM
COCCOc1ccc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)cn1	ZINC000048332288	436448851	/nfs/dbraw/zinc/44/88/51/436448851.db2.gz	DCRDNWSSEXNQEQ-UHFFFAOYSA-N	-1	3	346.387	0.666	50	0		ECAAHM
O=C(Cn1[n-]c(=O)ccc1=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000089834892	436417397	/nfs/dbraw/zinc/41/73/97/436417397.db2.gz	JZGZPXNBWXFZPU-CQSZACIVSA-N	-1	3	328.372	0.340	50	0		ECAAHM
Cc1ncc(C(=O)N2CCc3c(=O)[nH]c(CC4CC4)nc3C2)c(=O)[n-]1	ZINC000096140909	436515685	/nfs/dbraw/zinc/51/56/85/436515685.db2.gz	QLFUJKWVUHKBBX-UHFFFAOYSA-N	-1	3	341.371	0.313	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CC[C@@H](O)c2ccc3c(c2)OCO3)c1	ZINC000096026057	436505412	/nfs/dbraw/zinc/50/54/12/436505412.db2.gz	LGTVMOHFFFERPW-LLVKDONJSA-N	-1	3	339.373	0.551	50	0		ECAAHM
CCOc1ncnc2c1CN(Cc1nc3c(cnn3C)c(=O)[n-]1)CC2	ZINC000097202279	436541821	/nfs/dbraw/zinc/54/18/21/436541821.db2.gz	PGYCUTFINQUWPC-UHFFFAOYSA-N	-1	3	341.375	0.816	50	0		ECAAHM
CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl	ZINC000058325597	436624430	/nfs/dbraw/zinc/62/44/30/436624430.db2.gz	OXAIRRWSEUBQMY-MRVPVSSYSA-N	-1	3	348.808	0.930	50	0		ECAAHM
CC(=O)OC1C(=O)N(c2ccc(C(=O)[O-])cc2)C(=O)[C@@H]1OC(C)=O	ZINC000137083253	436655941	/nfs/dbraw/zinc/65/59/41/436655941.db2.gz	RSXUDAJGHOTNNC-VXGBXAGGSA-N	-1	3	335.268	0.121	50	0		ECAAHM
CC(C)Cc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)[n-]c(=O)n1	ZINC000222275051	436702624	/nfs/dbraw/zinc/70/26/24/436702624.db2.gz	RKEDXKQZCAHUBW-HOTGVXAUSA-N	-1	3	348.447	0.952	50	0		ECAAHM
Nc1nc(N2CCN(C(=O)CCc3cccnc3)CC2)cc(=O)[n-]1	ZINC000223165765	436704750	/nfs/dbraw/zinc/70/47/50/436704750.db2.gz	FSPCLLCVCNPXEP-UHFFFAOYSA-N	-1	3	328.376	0.029	50	0		ECAAHM
COc1cccc(C(=O)N2CC[C@@H](n3c([O-])coc3=O)C2)c1OC	ZINC000225699744	436713384	/nfs/dbraw/zinc/71/33/84/436713384.db2.gz	RWGOMDSWIWWSNW-SNVBAGLBSA-N	-1	3	334.328	0.897	50	0		ECAAHM
O=S(=O)([N-]CCNS(=O)(=O)C1CC1)c1ccc(F)cc1F	ZINC000225685126	436713817	/nfs/dbraw/zinc/71/38/17/436713817.db2.gz	JTKIACJOODWTOI-UHFFFAOYSA-N	-1	3	340.373	0.325	50	0		ECAAHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)NC[C@@H]3CCCO3)CC2)n1	ZINC000238961486	436758131	/nfs/dbraw/zinc/75/81/31/436758131.db2.gz	YMZKAMPOAZMHMD-ZDUSSCGKSA-N	-1	3	335.408	0.938	50	0		ECAAHM
CCc1nnc(CNC(=O)c2cnc3c([O-])cccn3c2=O)s1	ZINC000426486167	438059753	/nfs/dbraw/zinc/05/97/53/438059753.db2.gz	NHTPQWKOMLCVAI-UHFFFAOYSA-N	-1	3	331.357	0.744	50	0		ECAAHM
COc1nc(C[N-]S(=O)(=O)Cc2ccccc2)nc(N(C)C)n1	ZINC000575607851	438750654	/nfs/dbraw/zinc/75/06/54/438750654.db2.gz	QNCUQNUBSVQGPS-UHFFFAOYSA-N	-1	3	337.405	0.566	50	0		ECAAHM
COC[C@H](NC(=O)N1Cc2nc(C)[n-]c(=O)c2C1)c1ccnn1C	ZINC000534586765	439529986	/nfs/dbraw/zinc/52/99/86/439529986.db2.gz	WURPWWBOMNELGK-LBPRGKRZSA-N	-1	3	332.364	0.637	50	0		ECAAHM
CC(C)Cc1cc(C(=O)NCc2cnn3cccnc23)[n-]c(=O)n1	ZINC000215638595	535337480	/nfs/dbraw/zinc/33/74/80/535337480.db2.gz	IYAZIQQIIJGIGR-UHFFFAOYSA-N	-1	3	326.360	0.941	50	0		ECAAHM
COCCN1CCC[C@@H](C[N-]S(=O)(=O)c2cn(C)c(C)n2)C1	ZINC000670434682	548009366	/nfs/dbraw/zinc/00/93/66/548009366.db2.gz	QZUDMYLFTBDOLP-ZDUSSCGKSA-N	-1	3	330.454	0.365	50	0		ECAAHM
COCCN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1nnn[n-]1	ZINC000097610220	219041224	/nfs/dbraw/zinc/04/12/24/219041224.db2.gz	MDIDOIRQKVOULU-UHFFFAOYSA-N	-1	3	341.375	0.889	50	0		ECAAHM
COCCN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1nn[n-]n1	ZINC000097610220	219041227	/nfs/dbraw/zinc/04/12/27/219041227.db2.gz	MDIDOIRQKVOULU-UHFFFAOYSA-N	-1	3	341.375	0.889	50	0		ECAAHM
Cc1noc([C@H]2CCCN(Cc3nc4c(cnn4C)c(=O)[n-]3)C2)n1	ZINC000052863664	214151424	/nfs/dbraw/zinc/15/14/24/214151424.db2.gz	AWJZTJMEMXUWOA-JTQLQIEISA-N	-1	3	329.364	0.728	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1ccccc1Cn1cccn1	ZINC000053673980	214193706	/nfs/dbraw/zinc/19/37/06/214193706.db2.gz	ISRNDOXDHKWLIW-CQSZACIVSA-N	-1	3	341.371	0.536	50	0		ECAAHM
CN1CCC(Cc2nc(Cn3ccccc3=O)n(CC(=O)[O-])n2)CC1	ZINC000097759251	219055783	/nfs/dbraw/zinc/05/57/83/219055783.db2.gz	CVUXKXWREJLPAM-UHFFFAOYSA-N	-1	3	345.403	0.457	50	0		ECAAHM
CCOC([O-])=NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000003377044	210022822	/nfs/dbraw/zinc/02/28/22/210022822.db2.gz	YWKZTXBPDROINI-JTQLQIEISA-N	-1	3	338.316	0.444	50	0		ECAAHM
CCOC(=O)[N-]C(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000003377044	210022828	/nfs/dbraw/zinc/02/28/28/210022828.db2.gz	YWKZTXBPDROINI-JTQLQIEISA-N	-1	3	338.316	0.444	50	0		ECAAHM
Cc1ccc(C2(O)CCN(C(=O)c3c[nH]c(=O)cc3[O-])CC2)nc1	ZINC000067772356	215209326	/nfs/dbraw/zinc/20/93/26/215209326.db2.gz	NTOJSAWXOSJJCP-UHFFFAOYSA-N	-1	3	329.356	0.908	50	0		ECAAHM
O=C(CNC(=O)c1c[n-]nn1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000069385562	215396658	/nfs/dbraw/zinc/39/66/58/215396658.db2.gz	OYYFSNLVXMGXIJ-UHFFFAOYSA-N	-1	3	348.794	0.537	50	0		ECAAHM
O=C(CNC(=O)c1cnn[n-]1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000069385562	215396660	/nfs/dbraw/zinc/39/66/60/215396660.db2.gz	OYYFSNLVXMGXIJ-UHFFFAOYSA-N	-1	3	348.794	0.537	50	0		ECAAHM
O=C(CNC(=O)c1cn[n-]n1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000069385562	215396662	/nfs/dbraw/zinc/39/66/62/215396662.db2.gz	OYYFSNLVXMGXIJ-UHFFFAOYSA-N	-1	3	348.794	0.537	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCN(Cc2ccccc2F)CC1	ZINC000072421004	216209286	/nfs/dbraw/zinc/20/92/86/216209286.db2.gz	QCQPCNPSMUFPLU-AWEZNQCLSA-N	-1	3	348.378	0.458	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N1CCCN(Cc2ccc(F)cc2)CC1	ZINC000072430990	216223233	/nfs/dbraw/zinc/22/32/33/216223233.db2.gz	NLBMJNNQVXBAQC-UHFFFAOYSA-N	-1	3	348.378	0.412	50	0		ECAAHM
Cn1cc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)c(=O)[n-]c1=O	ZINC000216454314	241194065	/nfs/dbraw/zinc/19/40/65/241194065.db2.gz	QZFMXIGVJBOSSK-AWEZNQCLSA-N	-1	3	328.372	0.203	50	0		ECAAHM
Cc1cccnc1CN1CCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)CC1	ZINC000091679098	218046685	/nfs/dbraw/zinc/04/66/85/218046685.db2.gz	RKERZQCRHAWOCZ-CYBMUJFWSA-N	-1	3	345.403	0.022	50	0		ECAAHM
Cc1cc(C[C@H](C)NC(=O)c2cnc(Cn3cncn3)[n-]c2=O)n[nH]1	ZINC000091691303	218047415	/nfs/dbraw/zinc/04/74/15/218047415.db2.gz	RUKURNIJNDEBQS-VIFPVBQESA-N	-1	3	342.363	0.215	50	0		ECAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)N1	ZINC000011694146	211236811	/nfs/dbraw/zinc/23/68/11/211236811.db2.gz	DERYMXKXMSALKR-UHFFFAOYSA-N	-1	3	343.792	0.703	50	0		ECAAHM
Cc1nc(CC2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2)no1	ZINC000091646142	218040374	/nfs/dbraw/zinc/04/03/74/218040374.db2.gz	COZXNKQDFOSDEC-LLVKDONJSA-N	-1	3	335.364	0.147	50	0		ECAAHM
CS(=O)(=O)C(Cc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000299745378	258008483	/nfs/dbraw/zinc/00/84/83/258008483.db2.gz	YMCLLBHBAQTJCR-QWHCGFSZSA-N	-1	3	325.386	0.575	50	0		ECAAHM
C[C@H](CCC(=O)NCc1cccc(-c2nnn[n-]2)c1)N1CCOCC1	ZINC000299802743	258105202	/nfs/dbraw/zinc/10/52/02/258105202.db2.gz	OMBNAFWEDRFRJZ-CYBMUJFWSA-N	-1	3	344.419	0.984	50	0		ECAAHM
C[C@H](CCC(=O)NCc1cccc(-c2nn[n-]n2)c1)N1CCOCC1	ZINC000299802743	258105204	/nfs/dbraw/zinc/10/52/04/258105204.db2.gz	OMBNAFWEDRFRJZ-CYBMUJFWSA-N	-1	3	344.419	0.984	50	0		ECAAHM
Cc1nc2c(c(N3CCC(c4nnn[n-]4)CC3)n1)CCN(C)CC2	ZINC000065374948	282009247	/nfs/dbraw/zinc/00/92/47/282009247.db2.gz	GVCGJJLHJMIZDR-UHFFFAOYSA-N	-1	3	328.424	0.713	50	0		ECAAHM
CN1CCN(c2ncccc2C(=O)N2CCCCC2)C[C@@H]1C(=O)[O-]	ZINC000067743852	290059861	/nfs/dbraw/zinc/05/98/61/290059861.db2.gz	RPOAASNFGKEQSX-CQSZACIVSA-N	-1	3	332.404	0.913	50	0		ECAAHM
CN(C)S(=O)(=O)N1CCc2c(nc(-c3ccccc3)[n-]c2=O)C1	ZINC000071746404	436008713	/nfs/dbraw/zinc/00/87/13/436008713.db2.gz	YNASUZBDQDBCEV-UHFFFAOYSA-N	-1	3	334.401	0.601	50	0		ECAAHM
Cc1cc(CN(C)C(=O)C[N-]S(=O)(=O)c2cccs2)no1	ZINC000025139097	436145115	/nfs/dbraw/zinc/14/51/15/436145115.db2.gz	VNSIFZCDZAWBTF-UHFFFAOYSA-N	-1	3	329.403	0.981	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCN(Cc2ccccc2F)CC1	ZINC000041592908	436279827	/nfs/dbraw/zinc/27/98/27/436279827.db2.gz	DXXCWAZRBGORGC-CQSZACIVSA-N	-1	3	348.378	0.458	50	0		ECAAHM
C[N-]S(=O)(=O)c1cc(C(=O)NCCCC(N)=O)ccc1Cl	ZINC000042927638	436322437	/nfs/dbraw/zinc/32/24/37/436322437.db2.gz	DJTAEXGVWOSDLV-UHFFFAOYSA-N	-1	3	333.797	0.243	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2CCN(C)C[C@]2(C(=O)[O-])C1	ZINC000091782452	436460728	/nfs/dbraw/zinc/46/07/28/436460728.db2.gz	NIQSEENXTWBJJR-FZMZJTMJSA-N	-1	3	343.405	0.318	50	0		ECAAHM
C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O	ZINC000096404111	436530256	/nfs/dbraw/zinc/53/02/56/436530256.db2.gz	MSSPHPBGZKMARI-JTQLQIEISA-N	-1	3	344.418	0.049	50	0		ECAAHM
CC(C)COC(=O)N1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000065415474	436660172	/nfs/dbraw/zinc/66/01/72/436660172.db2.gz	OWAJYRCJEAXFGC-UHFFFAOYSA-N	-1	3	348.407	0.567	50	0		ECAAHM
CC(C)C1=NO[C@@H](C(=O)N2CCc3nc(N(C)C)[n-]c(=O)c3CC2)C1	ZINC000065371620	436656380	/nfs/dbraw/zinc/65/63/80/436656380.db2.gz	QMHUYICAXLZCKZ-CQSZACIVSA-N	-1	3	347.419	0.564	50	0		ECAAHM
Cc1nonc1CN1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000065406028	436659011	/nfs/dbraw/zinc/65/90/11/436659011.db2.gz	CDGDJJJFACMUCV-UHFFFAOYSA-N	-1	3	344.379	0.078	50	0		ECAAHM
CO[C@H](C(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1)c1ccccc1	ZINC000219660915	436697028	/nfs/dbraw/zinc/69/70/28/436697028.db2.gz	WDHIEZDTWCGEQX-HNNXBMFYSA-N	-1	3	343.387	0.388	50	0		ECAAHM
Cc1ccc2[nH]c(CCNC(=O)Cc3c[nH]c(=O)[n-]c3=O)nc2c1C	ZINC000223087616	436704958	/nfs/dbraw/zinc/70/49/58/436704958.db2.gz	DAYSAIVMUZJWIE-UHFFFAOYSA-N	-1	3	341.371	0.458	50	0		ECAAHM
COc1ccc([C@@H]2CCCN2C(=O)C[C@H]2NC(=O)[N-]C2=O)c(OC)c1	ZINC000065465425	436662715	/nfs/dbraw/zinc/66/27/15/436662715.db2.gz	VPXYQNKLDCJXAB-OLZOCXBDSA-N	-1	3	347.371	0.965	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCC(N2CCNC2=O)CC1	ZINC000255197812	436852397	/nfs/dbraw/zinc/85/23/97/436852397.db2.gz	DBKCCEAUTUBSSL-UHFFFAOYSA-N	-1	3	334.424	0.143	50	0		ECAAHM
CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000283024049	437023396	/nfs/dbraw/zinc/02/33/96/437023396.db2.gz	XSICHEKIVLEEGU-SNVBAGLBSA-N	-1	3	339.396	0.719	50	0		ECAAHM
CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C2CCCC2)C1	ZINC000299741586	437107558	/nfs/dbraw/zinc/10/75/58/437107558.db2.gz	GPQUDSJEQMELLP-LBPRGKRZSA-N	-1	3	325.409	0.252	50	0		ECAAHM
CN(C)CCN1C[C@H](C(=O)NCc2ccc(C(=O)[O-])cc2)CC1=O	ZINC000269210603	437467421	/nfs/dbraw/zinc/46/74/21/437467421.db2.gz	VYUMKIAKGBFWKV-CQSZACIVSA-N	-1	3	333.388	0.411	50	0		ECAAHM
Nc1nc(N2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)cc(=O)[n-]1	ZINC000426501929	438063720	/nfs/dbraw/zinc/06/37/20/438063720.db2.gz	UMMDMNPWOZVJPJ-CQSZACIVSA-N	-1	3	339.399	1.143	50	0		ECAAHM
O=C1[N-]C(=O)c2cc(S(=O)(=O)N(CCO)c3ccccc3)ccc21	ZINC000390834083	438436969	/nfs/dbraw/zinc/43/69/69/438436969.db2.gz	RNAMFKVKIKAHJO-UHFFFAOYSA-N	-1	3	346.364	0.758	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]Cc2nc(C3CCOCC3)no2)c1	ZINC000575616304	438752311	/nfs/dbraw/zinc/75/23/11/438752311.db2.gz	JNFSBAHOFJHBEX-UHFFFAOYSA-N	-1	3	327.366	0.176	50	0		ECAAHM
COC(=O)c1cn(NC(=O)c2ccc(O)cc2[O-])cc2c(=O)[nH]nc1-2	ZINC000604419050	439315399	/nfs/dbraw/zinc/31/53/99/439315399.db2.gz	QFPYBBXQNDVJBY-UHFFFAOYSA-N	-1	3	344.283	0.670	50	0		ECAAHM
COc1cc2c(cc1CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O)CCC2	ZINC000092020178	523000181	/nfs/dbraw/zinc/00/01/81/523000181.db2.gz	CFPWGJAPFKJIAS-ZDUSSCGKSA-N	-1	3	331.372	0.788	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H]1CC[C@@H](CO)CC1	ZINC000685791506	549718826	/nfs/dbraw/zinc/71/88/26/549718826.db2.gz	DLZCRHFKVHENIZ-TXEJJXNPSA-N	-1	3	345.421	0.237	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cn[nH]c2)cn1	ZINC000585087533	578132638	/nfs/dbraw/zinc/13/26/38/578132638.db2.gz	GUAJFRUAPUGRDX-GFCCVEGCSA-N	-1	3	335.389	0.690	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1cccc(Cn2cccn2)c1	ZINC000097915157	219059334	/nfs/dbraw/zinc/05/93/34/219059334.db2.gz	HYMXXFAOXPFIRP-CQSZACIVSA-N	-1	3	341.371	0.536	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(-c2cc[nH]n2)cc1	ZINC000097915049	219059818	/nfs/dbraw/zinc/05/98/18/219059818.db2.gz	VCFKJIKMBFMOPW-ZDUSSCGKSA-N	-1	3	327.344	0.681	50	0		ECAAHM
NS(=O)(=O)c1ccc([N-]C(=O)c2nc(-c3cnccn3)no2)cc1	ZINC000042381521	213500237	/nfs/dbraw/zinc/50/02/37/213500237.db2.gz	OTWAZBBTDZBHRM-UHFFFAOYSA-N	-1	3	346.328	0.426	50	0		ECAAHM
CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3)[n-]c2=O)C1	ZINC000035605836	213042086	/nfs/dbraw/zinc/04/20/86/213042086.db2.gz	OJXQWUNZQCGHNQ-LLVKDONJSA-N	-1	3	326.422	0.292	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-][C@H]2CC(=O)N(c3ccccc3)C2)cn1C	ZINC000072137122	216025440	/nfs/dbraw/zinc/02/54/40/216025440.db2.gz	GRZYJYGNTOAGPZ-LBPRGKRZSA-N	-1	3	334.401	0.812	50	0		ECAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]CCCn1ncccc1=O	ZINC000023137468	212353343	/nfs/dbraw/zinc/35/33/43/212353343.db2.gz	PSSXWABYEKVHQU-UHFFFAOYSA-N	-1	3	341.364	0.760	50	0		ECAAHM
Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@H]2NC(=O)[N-]C2=O)n1	ZINC000216395398	241189302	/nfs/dbraw/zinc/18/93/02/241189302.db2.gz	HEGQYKXCMJPAMW-SSDOTTSWSA-N	-1	3	345.281	0.061	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1nccc(-c2ccccc2)n1	ZINC000216500741	241197253	/nfs/dbraw/zinc/19/72/53/241197253.db2.gz	MIUIWWVCHUSGCO-ZDUSSCGKSA-N	-1	3	339.355	0.400	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)c2cccc3c2OCCO3)n1	ZINC000219269064	241373051	/nfs/dbraw/zinc/37/30/51/241373051.db2.gz	UZPADTVGONCGCA-UHFFFAOYSA-N	-1	3	330.344	0.691	50	0		ECAAHM
CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1	ZINC000236862232	242387024	/nfs/dbraw/zinc/38/70/24/242387024.db2.gz	XQEJIPLFCWWGCF-LLVKDONJSA-N	-1	3	329.422	0.828	50	0		ECAAHM
CCCN1C(=O)N[C@@H](CC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)C1=O	ZINC000253537342	244015618	/nfs/dbraw/zinc/01/56/18/244015618.db2.gz	PCHWELBXJPYLCQ-JTQLQIEISA-N	-1	3	333.348	0.053	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CC(=O)NC2CCCCCCC2)c1	ZINC000079074466	217187755	/nfs/dbraw/zinc/18/77/55/217187755.db2.gz	LFQDQXLEWIPMGF-UHFFFAOYSA-N	-1	3	328.438	0.928	50	0		ECAAHM
COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1OC	ZINC000012508228	211395124	/nfs/dbraw/zinc/39/51/24/211395124.db2.gz	PZSGJRYGRDPNII-UHFFFAOYSA-N	-1	3	341.345	0.190	50	0		ECAAHM
O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)[C@@H]1CCCO1	ZINC000012391634	211366277	/nfs/dbraw/zinc/36/62/77/211366277.db2.gz	BPCGINPCXYPUEY-ZDUSSCGKSA-N	-1	3	339.355	0.904	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1csc(-c2cnccn2)n1	ZINC000091915353	218088405	/nfs/dbraw/zinc/08/84/05/218088405.db2.gz	YOYDMPGUPBKPMD-SECBINFHSA-N	-1	3	346.372	0.205	50	0		ECAAHM
COc1cccc2c1OC[C@@H](C(=O)NCCc1nc(N)cc(=O)[n-]1)C2	ZINC000095386548	218318411	/nfs/dbraw/zinc/31/84/11/218318411.db2.gz	SJFZWUXQAXYBKE-NSHDSACASA-N	-1	3	344.371	0.271	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)CC1=O	ZINC000262879277	285255688	/nfs/dbraw/zinc/25/56/88/285255688.db2.gz	LEYWQPZXSKCWGA-NFAWXSAZSA-N	-1	3	339.436	0.545	50	0		ECAAHM
CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC[C@@H]2C(=O)[O-])CC1=O	ZINC000262692471	285284283	/nfs/dbraw/zinc/28/42/83/285284283.db2.gz	GRXLBYMBDBBBCD-MELADBBJSA-N	-1	3	337.420	0.395	50	0		ECAAHM
CCc1nccn1CCC(=O)N1C[C@H](CC(=O)[O-])[C@H](c2c[nH]nn2)C1	ZINC000299780779	258089415	/nfs/dbraw/zinc/08/94/15/258089415.db2.gz	CSDMJNZSJHBOTM-NWDGAFQWSA-N	-1	3	346.391	0.671	50	0		ECAAHM
CN1CCC(Oc2ccc(NC(=O)NCc3n[nH]c(=O)[n-]3)cc2)CC1	ZINC000299761049	258077826	/nfs/dbraw/zinc/07/78/26/258077826.db2.gz	QTKHZBHGNPIYAF-UHFFFAOYSA-N	-1	3	346.391	0.893	50	0		ECAAHM
O=C(CSCC1CC1)NCCn1[n-]c(=O)c2ccccc2c1=O	ZINC000299765598	258080928	/nfs/dbraw/zinc/08/09/28/258080928.db2.gz	AQQKHMOKQQKAFV-UHFFFAOYSA-N	-1	3	333.413	0.949	50	0		ECAAHM
COc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])N(C)C2)c(OC)c1OC	ZINC000299767265	258082245	/nfs/dbraw/zinc/08/22/45/258082245.db2.gz	QGTQVXIIWQHSQL-ONGXEEELSA-N	-1	3	338.360	0.600	50	0		ECAAHM
CN(C)C1=NC2(CCN(Cc3cccc(C(=O)[O-])c3)CC2)C(=O)N1	ZINC000097604152	282046120	/nfs/dbraw/zinc/04/61/20/282046120.db2.gz	ZLNWBKMOYCJWDG-UHFFFAOYSA-N	-1	3	330.388	0.767	50	0		ECAAHM
Cc1c(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000001298535	435959890	/nfs/dbraw/zinc/95/98/90/435959890.db2.gz	CDKIHRRDPBFUAV-NSHDSACASA-N	-1	3	343.343	0.021	50	0		ECAAHM
Cn1nnnc1SCC(=O)[N-]c1nc(=O)c2ccccc2s1	ZINC000002324100	435965813	/nfs/dbraw/zinc/96/58/13/435965813.db2.gz	FAFIXZJIZVLBLB-UHFFFAOYSA-N	-1	3	334.386	0.911	50	0		ECAAHM
COC(=O)[C@]([O-])(CC(=O)Nc1ccccc1C(N)=O)C(F)(F)F	ZINC000005914804	435994229	/nfs/dbraw/zinc/99/42/29/435994229.db2.gz	SFEKZKNGVSLVPM-GFCCVEGCSA-N	-1	3	334.250	0.581	50	0		ECAAHM
O=C(Cc1ccc(-n2cnnn2)cc1)N1NC=C[C@]1([O-])C(F)(F)F	ZINC000006926317	436005411	/nfs/dbraw/zinc/00/54/11/436005411.db2.gz	MDVRTLQJWDTMDP-LBPRGKRZSA-N	-1	3	340.265	0.674	50	0		ECAAHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)NCc1ccco1	ZINC000007417911	436012221	/nfs/dbraw/zinc/01/22/21/436012221.db2.gz	XWQSHXKGSDOCOT-UHFFFAOYSA-N	-1	3	349.372	0.113	50	0		ECAAHM
Cc1ccnc(SCc2cc(=O)[n-]c(N3CCN(C)CC3)n2)n1	ZINC000012389883	436052462	/nfs/dbraw/zinc/05/24/62/436052462.db2.gz	QESKKJMUQVHERR-UHFFFAOYSA-N	-1	3	332.433	0.912	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[C@@H](C)C2)cn1C	ZINC000071853338	436018875	/nfs/dbraw/zinc/01/88/75/436018875.db2.gz	FVDQWZVQJAAWDY-ZYHUDNBSSA-N	-1	3	328.438	0.702	50	0		ECAAHM
Cc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)[n-]n2)n1	ZINC000008606821	436029888	/nfs/dbraw/zinc/02/98/88/436029888.db2.gz	XWNPHACGMRWCAZ-UHFFFAOYSA-N	-1	3	328.288	0.959	50	0		ECAAHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](C)N1CCN(C)CC1	ZINC000071921617	436029946	/nfs/dbraw/zinc/02/99/46/436029946.db2.gz	MFPOQLWIOGQWBY-SNVBAGLBSA-N	-1	3	349.888	0.296	50	0		ECAAHM
CC(=O)[C@H](C)OC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)[C@@H](C)O	ZINC000071921357	436030026	/nfs/dbraw/zinc/03/00/26/436030026.db2.gz	YOVAKQQQTYYMBA-WCABBAIRSA-N	-1	3	335.403	0.297	50	0		ECAAHM
CCOC(CNC(=O)c1c([O-])nc2c(C)cccn2c1=O)OCC	ZINC000016689954	436094456	/nfs/dbraw/zinc/09/44/56/436094456.db2.gz	AMQOFNCCQQKSCB-UHFFFAOYSA-N	-1	3	335.360	0.837	50	0		ECAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1nccs1	ZINC000024151288	436131261	/nfs/dbraw/zinc/13/12/61/436131261.db2.gz	FYJZHJZHZBXEET-UHFFFAOYSA-N	-1	3	331.151	0.394	50	0		ECAAHM
C[C@@H](Cn1cccn1)NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O	ZINC000024804046	436139977	/nfs/dbraw/zinc/13/99/77/436139977.db2.gz	JIYPSAYIYBWANH-NSHDSACASA-N	-1	3	327.344	0.504	50	0		ECAAHM
Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)N[C@H]1CCCN(C)C1	ZINC000075121882	436152018	/nfs/dbraw/zinc/15/20/18/436152018.db2.gz	OUWFUBLWYMGTBK-ZDUSSCGKSA-N	-1	3	341.415	0.893	50	0		ECAAHM
COc1ccc([C@H](CNC=C2C(=O)[N-]C(=S)NC2=O)N(C)C)cc1	ZINC000025436524	436152177	/nfs/dbraw/zinc/15/21/77/436152177.db2.gz	HGQAMAPWRJDTCU-ZDUSSCGKSA-N	-1	3	348.428	0.302	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCN(Cc2cccs2)CC1	ZINC000042722587	436313605	/nfs/dbraw/zinc/31/36/05/436313605.db2.gz	MCBMZSPUMXHLER-LBPRGKRZSA-N	-1	3	336.417	0.381	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(C)C)CC2)o1	ZINC000044918015	436353414	/nfs/dbraw/zinc/35/34/14/436353414.db2.gz	FEGGUWNLUDOFLY-UHFFFAOYSA-N	-1	3	329.422	0.602	50	0		ECAAHM
Cc1cc(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)n(C)n1	ZINC000048356379	436450705	/nfs/dbraw/zinc/45/07/05/436450705.db2.gz	BBCNLDIISILHMH-UHFFFAOYSA-N	-1	3	339.355	0.939	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCC1(c2ccccc2)CCOCC1	ZINC000092019407	436464355	/nfs/dbraw/zinc/46/43/55/436464355.db2.gz	ULRDPKWRVDBGRY-AWEZNQCLSA-N	-1	3	345.399	0.839	50	0		ECAAHM
CN1C[C@H]2CN(S(=O)(=O)Cc3ccc(F)cc3)C[C@@]2(C(=O)[O-])C1	ZINC000096136498	436516286	/nfs/dbraw/zinc/51/62/86/436516286.db2.gz	JSSZOHZWNBZMJX-WFASDCNBSA-N	-1	3	342.392	0.604	50	0		ECAAHM
Cc1cc(C)n2nc(CC(=O)Nc3nc(-c4ccccn4)n[n-]3)nc2n1	ZINC000095952993	436502219	/nfs/dbraw/zinc/50/22/19/436502219.db2.gz	CYBQLTITDBVVRN-UHFFFAOYSA-N	-1	3	349.358	0.524	50	0		ECAAHM
CCc1nnc2n1C[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)CC2	ZINC000097198504	436540060	/nfs/dbraw/zinc/54/00/60/436540060.db2.gz	XVSRDFKZWKXRAC-LBPRGKRZSA-N	-1	3	344.419	0.604	50	0		ECAAHM
Cc1noc(C)c1CNC(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000062519896	436641154	/nfs/dbraw/zinc/64/11/54/436641154.db2.gz	VWRSCZJLQJHWNR-UHFFFAOYSA-N	-1	3	329.403	0.948	50	0		ECAAHM
CCOc1ccccc1NC(=O)CC(=O)NCc1cc(=O)[n-]cn1	ZINC000065396116	436658031	/nfs/dbraw/zinc/65/80/31/436658031.db2.gz	GIPSODRNCDVWRR-UHFFFAOYSA-N	-1	3	330.344	0.814	50	0		ECAAHM
CN(CC(=O)N(C)C1CCCCC1)Cc1nc2c(cnn2C)c(=O)[n-]1	ZINC000065415603	436659318	/nfs/dbraw/zinc/65/93/18/436659318.db2.gz	INVFANWPJAUBDA-UHFFFAOYSA-N	-1	3	346.435	0.880	50	0		ECAAHM
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000152625864	436737155	/nfs/dbraw/zinc/73/71/55/436737155.db2.gz	ZTCZNEDTPDROAV-LLVKDONJSA-N	-1	3	349.412	0.682	50	0		ECAAHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)[O-])CC1	ZINC000248091454	436801248	/nfs/dbraw/zinc/80/12/48/436801248.db2.gz	VRWZLFVPHZTUAR-KSTCHIGDSA-N	-1	3	341.452	0.872	50	0		ECAAHM
CC(C)n1nccc1NC(=O)[C@H](C)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000252477098	436831735	/nfs/dbraw/zinc/83/17/35/436831735.db2.gz	ICRFJOWOMHETLN-WDEREUQCSA-N	-1	3	334.380	0.027	50	0		ECAAHM
CN(C)CCN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1=O	ZINC000269077374	437451473	/nfs/dbraw/zinc/45/14/73/437451473.db2.gz	ABPPBRCDXUXRHZ-GJZGRUSLSA-N	-1	3	347.415	0.209	50	0		ECAAHM
CC(C)c1cc(C(=O)N2CCN(c3cc(=O)[n-]c(N)n3)CC2)no1	ZINC000426493116	438062378	/nfs/dbraw/zinc/06/23/78/438062378.db2.gz	FWWUJKRELJQQRS-UHFFFAOYSA-N	-1	3	332.364	0.838	50	0		ECAAHM
O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cncc(=O)[n-]1	ZINC000426624710	438067783	/nfs/dbraw/zinc/06/77/83/438067783.db2.gz	CRPVUTDWCXWBRS-UHFFFAOYSA-N	-1	3	337.339	0.424	50	0		ECAAHM
Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1ccc(-n2cnnn2)cc1	ZINC000408513108	438581181	/nfs/dbraw/zinc/58/11/81/438581181.db2.gz	AQIYDTXGTFGGBP-UHFFFAOYSA-N	-1	3	327.304	0.353	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]Cc2cn(-c3cccs3)nn2)cn1C	ZINC000575615326	438751808	/nfs/dbraw/zinc/75/18/08/438751808.db2.gz	DCDUYQLGXSSDAV-UHFFFAOYSA-N	-1	3	338.418	0.849	50	0		ECAAHM
O=C(NCCn1c([O-])coc1=O)O[C@H]1CCN(c2nccs2)C1	ZINC000575617666	438752270	/nfs/dbraw/zinc/75/22/70/438752270.db2.gz	ZHILYWGTGJHDJN-VIFPVBQESA-N	-1	3	340.361	0.427	50	0		ECAAHM
COc1cc(C[N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)on1	ZINC000585094206	546288050	/nfs/dbraw/zinc/28/80/50/546288050.db2.gz	PYNBUEQOBFSRDF-UHFFFAOYSA-N	-1	3	337.361	0.752	50	0		ECAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N1	ZINC000054535447	214243522	/nfs/dbraw/zinc/24/35/22/214243522.db2.gz	MDWAGKJLDRNQBD-UHFFFAOYSA-N	-1	3	343.792	0.703	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1ccc(N2CCCC2=O)cc1	ZINC000044873423	213656305	/nfs/dbraw/zinc/65/63/05/213656305.db2.gz	SEIKZQHENFPNBJ-CYBMUJFWSA-N	-1	3	344.371	0.418	50	0		ECAAHM
O=C(C[N-]S(=O)(=O)/C=C/c1ccccc1)O[C@@H]1CCOC1=O	ZINC000003316797	210005319	/nfs/dbraw/zinc/00/53/19/210005319.db2.gz	NNAIANGKKQSNFB-YPUOHESYSA-N	-1	3	325.342	0.435	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)NC[C@@H]1CCOC1)CNCC2	ZINC000067846649	215228392	/nfs/dbraw/zinc/22/83/92/215228392.db2.gz	HNEWPRSMVVMDAV-QMMMGPOBSA-N	-1	3	346.430	0.407	50	0		ECAAHM
O=C(Nc1ccc2c(c1)OCO2)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1	ZINC000040089857	213261390	/nfs/dbraw/zinc/26/13/90/213261390.db2.gz	GFNLFVYYFDXCQB-UHFFFAOYSA-N	-1	3	340.295	0.835	50	0		ECAAHM
Cc1cc([N-]C(=O)[C@H](C)N2CCN(Cc3nccn3C)CC2)on1	ZINC000072267721	216086581	/nfs/dbraw/zinc/08/65/81/216086581.db2.gz	NBBQJFOILBMZRD-ZDUSSCGKSA-N	-1	3	332.408	0.861	50	0		ECAAHM
CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1cnc[n-]c1=O)CC2	ZINC000072478295	216256946	/nfs/dbraw/zinc/25/69/46/216256946.db2.gz	USLOXHGNIPLVKZ-CYBMUJFWSA-N	-1	3	348.403	0.561	50	0		ECAAHM
CCC[N@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1cnc[n-]c1=O)CC2	ZINC000072478295	216256951	/nfs/dbraw/zinc/25/69/51/216256951.db2.gz	USLOXHGNIPLVKZ-CYBMUJFWSA-N	-1	3	348.403	0.561	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N2CCCO[C@H](Cn3cccn3)C2)c(=O)[n-]1	ZINC000215246420	241114405	/nfs/dbraw/zinc/11/44/05/241114405.db2.gz	RGXZTMRDIISNOZ-AWEZNQCLSA-N	-1	3	345.403	0.443	50	0		ECAAHM
Cc1nc2cc(CNC(=O)c3cn(C)c(=O)[n-]c3=O)ccc2n1C	ZINC000215955221	241158323	/nfs/dbraw/zinc/15/83/23/241158323.db2.gz	RFLGATXNAIWQGS-UHFFFAOYSA-N	-1	3	327.344	0.199	50	0		ECAAHM
Cn1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c(=O)[n-]c1=O	ZINC000215385012	241123466	/nfs/dbraw/zinc/12/34/66/241123466.db2.gz	IUCUBGMCULAXQX-ZDUSSCGKSA-N	-1	3	344.371	0.290	50	0		ECAAHM
Cn1cc(C(=O)NCc2ccccc2-n2ccnc2)c(=O)[n-]c1=O	ZINC000219002224	241359462	/nfs/dbraw/zinc/35/94/62/241359462.db2.gz	OAUAQNDCOTYRIH-UHFFFAOYSA-N	-1	3	325.328	0.189	50	0		ECAAHM
CN(C)c1ccc(C(=O)N2CCN(c3cc(=O)[n-]c(N)n3)CC2)cc1	ZINC000219058801	241362961	/nfs/dbraw/zinc/36/29/61/241362961.db2.gz	INSZWZVDZUFDRX-UHFFFAOYSA-N	-1	3	342.403	0.381	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cn1C	ZINC000230064376	242225926	/nfs/dbraw/zinc/22/59/26/242225926.db2.gz	XBWIXMGZKDGVIA-DMDPSCGWSA-N	-1	3	342.465	0.948	50	0		ECAAHM
O=c1cc(CO)oc(CN2CCn3c(nnc3C(F)(F)F)C2)c1[O-]	ZINC000079495329	217234016	/nfs/dbraw/zinc/23/40/16/217234016.db2.gz	FEFCOXATDORMBG-UHFFFAOYSA-N	-1	3	346.265	0.464	50	0		ECAAHM
O=C(c1ccc2n[n-]nc2c1)N1CC[C@@]2(C1)CCCN(CCO)C2=O	ZINC000091594713	296230300	/nfs/dbraw/zinc/23/03/00/296230300.db2.gz	KMBMRIHWAFXNTG-QGZVFWFLSA-N	-1	3	343.387	0.405	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(c2nnc3ccccn32)CC1	ZINC000097597464	219038060	/nfs/dbraw/zinc/03/80/60/219038060.db2.gz	ALOINGXDJCOQLT-NSHDSACASA-N	-1	3	342.359	0.033	50	0		ECAAHM
CS(=O)(=O)C(Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000299745371	258008495	/nfs/dbraw/zinc/00/84/95/258008495.db2.gz	YLNXEIDGPPVHQW-KGLIPLIRSA-N	-1	3	339.413	0.966	50	0		ECAAHM
CN(C)c1ccc(CN2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)cn1	ZINC000299782596	258090634	/nfs/dbraw/zinc/09/06/34/258090634.db2.gz	DSGJKCDAKZVYRR-UONOGXRCSA-N	-1	3	344.419	0.966	50	0		ECAAHM
CC(C)(C)c1ncc(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c(=O)[n-]1	ZINC000091725181	277275226	/nfs/dbraw/zinc/27/52/26/277275226.db2.gz	KKWGMBBUGVKTJK-KBPBESRZSA-N	-1	3	348.447	0.739	50	0		ECAAHM
CN1CCN(C[C@H](CC(=O)Nc2ccccc2C(N)=O)C(=O)[O-])CC1	ZINC000072402881	290046310	/nfs/dbraw/zinc/04/63/10/290046310.db2.gz	JCGLVZHRGJCXNH-LBPRGKRZSA-N	-1	3	348.403	0.062	50	0		ECAAHM
O=C(CCC(=O)N1CCNC(=O)C1)[N-]C1=N[C@@H]2CCCC[C@@H]2S1	ZINC000041127889	295469673	/nfs/dbraw/zinc/46/96/73/295469673.db2.gz	IDJJTGZUIFUBCX-MNOVXSKESA-N	-1	3	338.433	0.255	50	0		ECAAHM
CC[C@@H](C)[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	ZINC000002137858	435963785	/nfs/dbraw/zinc/96/37/85/435963785.db2.gz	IDMRETVRRPHMEG-KWCYVHTRSA-N	-1	3	341.452	0.824	50	0		ECAAHM
COc1ccc(CCC(=O)N2CCc3c(nc(N)[n-]c3=O)C2)cc1	ZINC000071760384	436011257	/nfs/dbraw/zinc/01/12/57/436011257.db2.gz	LYZVLOGVSSGROG-UHFFFAOYSA-N	-1	3	328.372	0.878	50	0		ECAAHM
COC(=O)c1sc(NC(=O)CSc2cnnc(=O)[n-]2)nc1C	ZINC000015859743	436085889	/nfs/dbraw/zinc/08/58/89/436085889.db2.gz	QVNNRNGPUFRIAT-UHFFFAOYSA-N	-1	3	341.374	0.860	50	0		ECAAHM
O=C(NCCc1nnc2ccccn21)c1ccc(-c2nnn[n-]2)cc1	ZINC000029933980	436212394	/nfs/dbraw/zinc/21/23/94/436212394.db2.gz	XNCTYQDZCITZER-UHFFFAOYSA-N	-1	3	334.343	0.882	50	0		ECAAHM
O=C(NCCc1nnc2ccccn21)c1ccc(-c2nn[n-]n2)cc1	ZINC000029933980	436212397	/nfs/dbraw/zinc/21/23/97/436212397.db2.gz	XNCTYQDZCITZER-UHFFFAOYSA-N	-1	3	334.343	0.882	50	0		ECAAHM
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000077322450	436230499	/nfs/dbraw/zinc/23/04/99/436230499.db2.gz	AHXDRBQCLDRPRS-UHFFFAOYSA-N	-1	3	325.328	0.521	50	0		ECAAHM
CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCOCC1	ZINC000032980152	436247499	/nfs/dbraw/zinc/24/74/99/436247499.db2.gz	LPZAQVISCQVCDC-AWEZNQCLSA-N	-1	3	344.408	0.987	50	0		ECAAHM
NC(=O)C1(C[N-]S(=O)(=O)c2ccc(F)cc2F)CCOCC1	ZINC000032913458	436248134	/nfs/dbraw/zinc/24/81/34/436248134.db2.gz	WESVVVONNITDPV-UHFFFAOYSA-N	-1	3	334.344	0.525	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1nncn1C1CCCCC1	ZINC000091779863	436461190	/nfs/dbraw/zinc/46/11/90/436461190.db2.gz	CZHBGTJKPMOKRT-LLVKDONJSA-N	-1	3	334.380	0.388	50	0		ECAAHM
CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000095941940	436499183	/nfs/dbraw/zinc/49/91/83/436499183.db2.gz	PAOPVNRCYQCZQR-GFCCVEGCSA-N	-1	3	336.797	0.469	50	0		ECAAHM
O=C1NCCN1CCNc1nc2c(c(=O)[n-]1)Cc1ccccc1OC2	ZINC000095530311	436499507	/nfs/dbraw/zinc/49/95/07/436499507.db2.gz	FPBUPBZOSDYGQG-UHFFFAOYSA-N	-1	3	341.371	0.690	50	0		ECAAHM
CCn1cnnc1C[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC000058265590	436622768	/nfs/dbraw/zinc/62/27/68/436622768.db2.gz	IAAVOZXOOFTYDQ-UHFFFAOYSA-N	-1	3	332.389	0.962	50	0		ECAAHM
COCCCNC(=O)CN1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000058229638	436621148	/nfs/dbraw/zinc/62/11/48/436621148.db2.gz	GCNOFYPGYYUQMN-UHFFFAOYSA-N	-1	3	335.404	0.303	50	0		ECAAHM
CCCc1cnc(C)nc1N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000065373633	436655161	/nfs/dbraw/zinc/65/51/61/436655161.db2.gz	YGDGSVJTKWIUIB-UHFFFAOYSA-N	-1	3	329.408	0.730	50	0		ECAAHM
Nc1cc(=O)[n-]c(CCNC(=O)C2(N3CCOCC3)CCCCC2)n1	ZINC000219831697	436697458	/nfs/dbraw/zinc/69/74/58/436697458.db2.gz	LURHUPKIZUTNSU-UHFFFAOYSA-N	-1	3	349.435	0.458	50	0		ECAAHM
Cc1cc(N)n(CC(=O)N2CCC(c3cc(=O)[n-]c(C)n3)CC2)n1	ZINC000220513680	436699702	/nfs/dbraw/zinc/69/97/02/436699702.db2.gz	DXYQRCNAOSVUEE-UHFFFAOYSA-N	-1	3	330.392	0.984	50	0		ECAAHM
Nc1cc(=O)[n-]c(CCNC(=O)CCc2ccc3c(c2)OCO3)n1	ZINC000223471906	436707676	/nfs/dbraw/zinc/70/76/76/436707676.db2.gz	DIWZDKPBKJJPFM-UHFFFAOYSA-N	-1	3	330.344	0.785	50	0		ECAAHM
CN(C)S(=O)(=O)N[C@H](Cn1c([O-])coc1=O)c1ccccc1	ZINC000225638580	436711392	/nfs/dbraw/zinc/71/13/92/436711392.db2.gz	PEZMNYJPJUQYFR-LLVKDONJSA-N	-1	3	327.362	0.103	50	0		ECAAHM
CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cc(=O)[n-]cn2)cc1	ZINC000225525258	436711620	/nfs/dbraw/zinc/71/16/20/436711620.db2.gz	YAKMPSAHYQILPQ-UHFFFAOYSA-N	-1	3	343.343	0.300	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)o1	ZINC000069484941	436775819	/nfs/dbraw/zinc/77/58/19/436775819.db2.gz	HPJKYWIAXQMVLG-NWDGAFQWSA-N	-1	3	341.433	0.887	50	0		ECAAHM
Nc1nc(N2CCN(CCC(=O)Nc3nccs3)CC2)cc(=O)[n-]1	ZINC000253537329	436848289	/nfs/dbraw/zinc/84/82/89/436848289.db2.gz	NYUDIHZBQFFRJI-UHFFFAOYSA-N	-1	3	349.420	0.372	50	0		ECAAHM
COCCN1CCN(CC(=O)N=c2cc[n-]n2[C@@H](C)C2CC2)C[C@H]1C	ZINC000252475024	436831886	/nfs/dbraw/zinc/83/18/86/436831886.db2.gz	QUNMFISAKYIYQJ-CABCVRRESA-N	-1	3	349.479	0.867	50	0		ECAAHM
CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000283024047	437024028	/nfs/dbraw/zinc/02/40/28/437024028.db2.gz	XSICHEKIVLEEGU-JTQLQIEISA-N	-1	3	339.396	0.719	50	0		ECAAHM
O=C(NCCn1c([O-])coc1=O)O[C@@H]1CCN(c2nccs2)C1	ZINC000575617665	438752167	/nfs/dbraw/zinc/75/21/67/438752167.db2.gz	ZHILYWGTGJHDJN-SECBINFHSA-N	-1	3	340.361	0.427	50	0		ECAAHM
CCn1ccnc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1	ZINC000456359316	438768776	/nfs/dbraw/zinc/76/87/76/438768776.db2.gz	RFMFEBKPVPEPJP-SNVBAGLBSA-N	-1	3	337.405	0.697	50	0		ECAAHM
COCCN1CC[C@H](CNS(=O)(=O)c2ccsc2C(=O)[O-])C1	ZINC000670472817	548018076	/nfs/dbraw/zinc/01/80/76/548018076.db2.gz	KTLYEDHKTMOHDC-SNVBAGLBSA-N	-1	3	348.446	0.693	50	0		ECAAHM
O=C(c1ccc(-c2nnn[n-]2)cn1)N1CC[C@H](Oc2ccccn2)C1	ZINC000585122000	606935952	/nfs/dbraw/zinc/93/59/52/606935952.db2.gz	JPEUPWKLJMASMN-LBPRGKRZSA-N	-1	3	337.343	0.950	50	0		ECAAHM
O=C(c1ccc(-c2nn[n-]n2)cn1)N1CC[C@H](Oc2ccccn2)C1	ZINC000585122000	606935955	/nfs/dbraw/zinc/93/59/55/606935955.db2.gz	JPEUPWKLJMASMN-LBPRGKRZSA-N	-1	3	337.343	0.950	50	0		ECAAHM
CCSc1nc(CC(=O)NCCc2nc(N)cc(=O)[n-]2)cs1	ZINC000055393556	214318721	/nfs/dbraw/zinc/31/87/21/214318721.db2.gz	KXXDRSFEXGKDGN-UHFFFAOYSA-N	-1	3	339.446	0.822	50	0		ECAAHM
CCc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(=O)n(C)c1=O	ZINC000004270177	210156533	/nfs/dbraw/zinc/15/65/33/210156533.db2.gz	FXBISZWUXVAGHJ-UHFFFAOYSA-N	-1	3	337.401	0.756	50	0		ECAAHM
CC(C)c1ccc(NC(=O)COC(=O)c2c[nH]c(=O)[n-]c2=O)cc1	ZINC000003331819	210009042	/nfs/dbraw/zinc/00/90/42/210009042.db2.gz	MZCLTVMPWCYODF-UHFFFAOYSA-N	-1	3	331.328	0.982	50	0		ECAAHM
O=C(COC(=O)c1cc(=O)[n-]c(=O)[nH]1)NCc1ccccc1Cl	ZINC000003303242	210001873	/nfs/dbraw/zinc/00/18/73/210001873.db2.gz	OXYGAPOUGKGWOI-UHFFFAOYSA-N	-1	3	337.719	0.190	50	0		ECAAHM
CC[C@@H](NC(=O)c1cc(-n2cnnn2)ccc1[O-])c1ccnn1C	ZINC000067817466	215219043	/nfs/dbraw/zinc/21/90/43/215219043.db2.gz	NBSALCYCNVLZDQ-GFCCVEGCSA-N	-1	3	327.348	0.983	50	0		ECAAHM
CCc1csc([C@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)n1	ZINC000072282471	216112195	/nfs/dbraw/zinc/11/21/95/216112195.db2.gz	CYXKKDAGCKENCX-JTQLQIEISA-N	-1	3	336.417	0.963	50	0		ECAAHM
Cc1nc([C@@H]2CCCN2C(=O)CSc2nc(C)cc(=O)[n-]2)n[nH]1	ZINC000215926044	241157367	/nfs/dbraw/zinc/15/73/67/241157367.db2.gz	KDAKRKMMXWWERI-JTQLQIEISA-N	-1	3	334.405	0.961	50	0		ECAAHM
CCN(Cc1nc(COC)no1)Cc1nc2c(cnn2C)c(=O)[n-]1	ZINC000253536802	244017772	/nfs/dbraw/zinc/01/77/72/244017772.db2.gz	OZMVHYPASUDTET-UHFFFAOYSA-N	-1	3	333.352	0.620	50	0		ECAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]CCN1CCOCC1	ZINC000020064188	212099129	/nfs/dbraw/zinc/09/91/29/212099129.db2.gz	NGWQNNYQTBJIJL-UHFFFAOYSA-N	-1	3	334.419	0.145	50	0		ECAAHM
CCc1ncc(-c2cn(CCNc3nc(C)cc(=O)[n-]3)nn2)cn1	ZINC000091427218	218004197	/nfs/dbraw/zinc/00/41/97/218004197.db2.gz	IOVHXTXVXKDNGM-UHFFFAOYSA-N	-1	3	326.364	0.801	50	0		ECAAHM
Cn1ccnc1CN1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1	ZINC000091551750	218021362	/nfs/dbraw/zinc/02/13/62/218021362.db2.gz	OGMFYQPUWHJKNS-CVEARBPZSA-N	-1	3	349.479	0.723	50	0		ECAAHM
O=C(c1ccc2n[n-]nc2c1)N1CC[C@]2(C1)CCCN(CCO)C2=O	ZINC000091594714	218028646	/nfs/dbraw/zinc/02/86/46/218028646.db2.gz	KMBMRIHWAFXNTG-KRWDZBQOSA-N	-1	3	343.387	0.405	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCCn1ncc2ccccc21	ZINC000092077270	218115902	/nfs/dbraw/zinc/11/59/02/218115902.db2.gz	VUZHCJXCWVMZGV-LBPRGKRZSA-N	-1	3	329.360	0.531	50	0		ECAAHM
CCOCC(=O)[N-]n1cnc2c(cnn2-c2ccc(F)cc2)c1=O	ZINC000010251788	211157433	/nfs/dbraw/zinc/15/74/33/211157433.db2.gz	KZCZTJJCNWGJBR-UHFFFAOYSA-N	-1	3	331.307	0.828	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)N1CCC[C@@H](O)C1)CNCC2	ZINC000067804366	304218181	/nfs/dbraw/zinc/21/81/81/304218181.db2.gz	PXEOJVQDUHJNPP-MRVPVSSYSA-N	-1	3	346.430	0.237	50	0		ECAAHM
CS(=O)(=O)C(Cc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000299745376	258008545	/nfs/dbraw/zinc/00/85/45/258008545.db2.gz	YMCLLBHBAQTJCR-CHWSQXEVSA-N	-1	3	325.386	0.575	50	0		ECAAHM
COc1cc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)ccc1[O-]	ZINC000299758163	258076302	/nfs/dbraw/zinc/07/63/02/258076302.db2.gz	ODPTYOWOMKWUSF-GXTWGEPZSA-N	-1	3	330.344	0.978	50	0		ECAAHM
CC[C@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@H](CC)CO	ZINC000003151959	435970232	/nfs/dbraw/zinc/97/02/32/435970232.db2.gz	PASPZOXUCPYOIU-HTQZYQBOSA-N	-1	3	332.294	0.031	50	0		ECAAHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCN(Cc3nc(C)no3)CC2)on1	ZINC000069595189	435950354	/nfs/dbraw/zinc/95/03/54/435950354.db2.gz	STOMGRYTCJALOR-LLVKDONJSA-N	-1	3	334.380	0.819	50	0		ECAAHM
CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc1	ZINC000000368254	435953417	/nfs/dbraw/zinc/95/34/17/435953417.db2.gz	UQAQFKCJNZGIGI-UHFFFAOYSA-N	-1	3	338.345	0.543	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(S(N)(=O)=O)cc1	ZINC000007375741	436010212	/nfs/dbraw/zinc/01/02/12/436010212.db2.gz	KAMDNCWGQOMABP-UHFFFAOYSA-N	-1	3	345.402	0.417	50	0		ECAAHM
Cc1c(CN2CCC(O)(C(=O)[O-])CC2)c(=O)n(-c2ccccc2)n1C	ZINC000071763246	436010845	/nfs/dbraw/zinc/01/08/45/436010845.db2.gz	JHHFNHCGCLUMGF-UHFFFAOYSA-N	-1	3	345.399	0.896	50	0		ECAAHM
O=C([O-])[C@H]1C[C@H](C(=O)N2CCOCC2)CN(Cc2cccc(O)c2)C1	ZINC000071738460	436011307	/nfs/dbraw/zinc/01/13/07/436011307.db2.gz	XBHXDZVLFLPAPQ-GJZGRUSLSA-N	-1	3	348.399	0.774	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1	ZINC000071821377	436012070	/nfs/dbraw/zinc/01/20/70/436012070.db2.gz	ZHOTWABKJBJYMQ-NWDGAFQWSA-N	-1	3	337.763	0.838	50	0		ECAAHM
COc1cc(NC(=O)Nc2c[nH]c(=O)[n-]c2=O)cc(OC)c1OC	ZINC000008599774	436030365	/nfs/dbraw/zinc/03/03/65/436030365.db2.gz	XCPKLKVBRBBNQJ-UHFFFAOYSA-N	-1	3	336.304	0.733	50	0		ECAAHM
COc1cc(C2(C(=O)N3CC[C@]4(C3)NC(=O)[N-]C4=O)CC2)ccc1C	ZINC000072290725	436042363	/nfs/dbraw/zinc/04/23/63/436042363.db2.gz	XMICZIRUAYLTHF-GOSISDBHSA-N	-1	3	343.383	0.846	50	0		ECAAHM
CCOC([O-])=NC(=O)c1cn(CCc2ccccc2)c(=O)[nH]c1=O	ZINC000075278253	436157763	/nfs/dbraw/zinc/15/77/63/436157763.db2.gz	AFDHECNWCMNODD-UHFFFAOYSA-N	-1	3	331.328	0.666	50	0		ECAAHM
CCOC(=O)[N-]C(=O)c1cn(CCc2ccccc2)c(=O)[nH]c1=O	ZINC000075278253	436157774	/nfs/dbraw/zinc/15/77/74/436157774.db2.gz	AFDHECNWCMNODD-UHFFFAOYSA-N	-1	3	331.328	0.666	50	0		ECAAHM
CN(Cc1cccc(-n2cccn2)c1)C(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000077437714	436238330	/nfs/dbraw/zinc/23/83/30/436238330.db2.gz	MHDKYOOIDQTFPG-CQSZACIVSA-N	-1	3	341.371	0.819	50	0		ECAAHM
CC[C@@](C)(CNC(=O)Cc1c(C)nc(C)[n-]c1=O)N1CCOCC1	ZINC000031419260	436228683	/nfs/dbraw/zinc/22/86/83/436228683.db2.gz	DIKQOCNDILVXHJ-KRWDZBQOSA-N	-1	3	336.436	0.546	50	0		ECAAHM
C[C@H](NC(=O)C[C@@H](N)C(=O)[O-])C(=O)NC1C(C)(C)SC1(C)C	ZINC000044126623	436338835	/nfs/dbraw/zinc/33/88/35/436338835.db2.gz	MNLYOQSORQULQQ-JGVFFNPUSA-N	-1	3	331.438	0.082	50	0		ECAAHM
Cc1nc([C@@H]2CCCN(C(=O)C(C)(C)N3CCOCC3)C2)cc(=O)[n-]1	ZINC000082141145	436362826	/nfs/dbraw/zinc/36/28/26/436362826.db2.gz	VCGYSBNOZJWMHU-CQSZACIVSA-N	-1	3	348.447	0.895	50	0		ECAAHM
CN(Cc1nc(-c2ccccn2)no1)C(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000091270634	436448161	/nfs/dbraw/zinc/44/81/61/436448161.db2.gz	FNSQEFNEYBAXER-SNVBAGLBSA-N	-1	3	344.331	0.078	50	0		ECAAHM
COC(=O)c1ccc(S(=O)(=O)[N-]CCC(=O)N(C)C)c(Cl)c1	ZINC000058281002	436623262	/nfs/dbraw/zinc/62/32/62/436623262.db2.gz	UOMRGRDOETWPPO-UHFFFAOYSA-N	-1	3	348.808	0.883	50	0		ECAAHM
COc1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c([O-])c1	ZINC000058405679	436625407	/nfs/dbraw/zinc/62/54/07/436625407.db2.gz	PFVHGFJWWHDTSN-OAHLLOKOSA-N	-1	3	347.415	0.955	50	0		ECAAHM
CC(C)NC(=O)NC(=O)CN(C)Cc1nc(=O)c2ccsc2[n-]1	ZINC000056709005	436595684	/nfs/dbraw/zinc/59/56/84/436595684.db2.gz	KXRBDPPWEUDQIA-UHFFFAOYSA-N	-1	3	337.405	0.651	50	0		ECAAHM
CCOc1nccnc1N1CC[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C1	ZINC000065268839	436654309	/nfs/dbraw/zinc/65/43/09/436654309.db2.gz	LEEBSJVWFCSQIP-SNVBAGLBSA-N	-1	3	338.393	0.156	50	0		ECAAHM
Cc1cc(NC(=O)CN(C)Cc2nc3c(cnn3C)c(=O)[n-]2)no1	ZINC000065415475	436659677	/nfs/dbraw/zinc/65/96/77/436659677.db2.gz	KWVYKVXOHCLYNB-UHFFFAOYSA-N	-1	3	331.336	0.024	50	0		ECAAHM
Cc1nonc1CC(=O)N[C@H]1C[C@H](c2cc(=O)[n-]c(C3CC3)n2)C1	ZINC000219986558	436698177	/nfs/dbraw/zinc/69/81/77/436698177.db2.gz	PMIBSPUFOQMESQ-PHIMTYICSA-N	-1	3	329.360	0.944	50	0		ECAAHM
C[C@@H](NC(=O)Cc1c[nH]c(=O)[n-]c1=O)c1ccccc1-n1cccn1	ZINC000221298382	436700480	/nfs/dbraw/zinc/70/04/80/436700480.db2.gz	NOYNRJKFVZUNRB-LLVKDONJSA-N	-1	3	339.355	0.669	50	0		ECAAHM
CCCN(Cc1nc2c(cnn2C)c(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1	ZINC000065434446	436661207	/nfs/dbraw/zinc/66/12/07/436661207.db2.gz	MQZKGLWOSOXRFO-SNVBAGLBSA-N	-1	3	339.421	0.056	50	0		ECAAHM
CN(CC(=O)[O-])[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)C[C@H]1O	ZINC000240551430	436757958	/nfs/dbraw/zinc/75/79/58/436757958.db2.gz	GTPJSHABQFXJGK-JKSUJKDBSA-N	-1	3	343.383	0.883	50	0		ECAAHM
Cn1c(=O)[nH]c(=O)c2nc(C[C@H](O)c3ccccc3F)c(=O)[n-]c21	ZINC000241371360	436759141	/nfs/dbraw/zinc/75/91/41/436759141.db2.gz	MMYBHJXCNFQWTB-JTQLQIEISA-N	-1	3	332.291	0.550	50	0		ECAAHM
CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)N)CC1)C(=O)[O-]	ZINC000248085415	436800541	/nfs/dbraw/zinc/80/05/41/436800541.db2.gz	RRMCYVUOWFVYFQ-PEDHHIEDSA-N	-1	3	341.452	0.872	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)c1	ZINC000170786531	436953233	/nfs/dbraw/zinc/95/32/33/436953233.db2.gz	QJKTUWAXJIUKNP-UHFFFAOYSA-N	-1	3	334.401	0.678	50	0		ECAAHM
NC(=O)C1(N2CCCCC2)CCN(C(=O)CSCC(=O)[O-])CC1	ZINC000000154059	303236710	/nfs/dbraw/zinc/23/67/10/303236710.db2.gz	JMUBJRNBYGQDGM-UHFFFAOYSA-N	-1	3	343.449	0.137	50	0		ECAAHM
COc1cccc2c1OC[C@@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)C2	ZINC000360215879	437556438	/nfs/dbraw/zinc/55/64/38/437556438.db2.gz	IQHIYPCFJUYCLE-JTQLQIEISA-N	-1	3	331.328	0.228	50	0		ECAAHM
C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCn1c([O-])coc1=O	ZINC000575616879	438752134	/nfs/dbraw/zinc/75/21/34/438752134.db2.gz	QIECKRHRLSNRNP-VIFPVBQESA-N	-1	3	336.300	0.278	50	0		ECAAHM
COc1c[n-]c(C(=O)Nc2cccc(-n3nnnc3C)c2)cc1=O	ZINC000524735305	439192843	/nfs/dbraw/zinc/19/28/43/439192843.db2.gz	QBYLNQZAQWQFOV-UHFFFAOYSA-N	-1	3	326.316	0.920	50	0		ECAAHM
CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccnc1OCC(F)F	ZINC000583651506	439494255	/nfs/dbraw/zinc/49/42/55/439494255.db2.gz	NQACDYZNWLDYPY-MRVPVSSYSA-N	-1	3	337.348	0.528	50	0		ECAAHM
CC(C)CN1C[C@H](C(=O)N2CCC(c3cc(=O)[n-]cn3)CC2)CC1=O	ZINC000097610275	219041578	/nfs/dbraw/zinc/04/15/78/219041578.db2.gz	ULFGWAFBJCLNEA-CQSZACIVSA-N	-1	3	346.431	0.980	50	0		ECAAHM
Cc1nn2c(nnc2SCC(=O)N(C)c2ccccc2)[n-]c1=O	ZINC000004251407	210152916	/nfs/dbraw/zinc/15/29/16/210152916.db2.gz	DMASQEXRSDSSHS-UHFFFAOYSA-N	-1	3	330.373	0.876	50	0		ECAAHM
CN1CCN2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C[C@@H]2C1=O	ZINC000067841311	282971787	/nfs/dbraw/zinc/97/17/87/282971787.db2.gz	DXROLZHTHMNOPC-OAHLLOKOSA-N	-1	3	340.383	0.127	50	0		ECAAHM
O=C1[N-]C(=O)[C@](c2cccnc2)(C2CCN(Cc3c[nH]cn3)CC2)N1	ZINC000067871861	215236137	/nfs/dbraw/zinc/23/61/37/215236137.db2.gz	VTPFQNCPHNPJTA-QGZVFWFLSA-N	-1	3	340.387	0.752	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCO[C@H](c2ccc(Cl)cc2)C1	ZINC000071821374	215850385	/nfs/dbraw/zinc/85/03/85/215850385.db2.gz	ZHOTWABKJBJYMQ-NEPJUHHUSA-N	-1	3	337.763	0.838	50	0		ECAAHM
O=C([O-])[C@@]12CNC(=O)[C@@H]1CN(Cc1coc(-c3ccccc3)n1)C2	ZINC000072430316	216221857	/nfs/dbraw/zinc/22/18/57/216221857.db2.gz	HSNOKXROIFNPPI-SUMWQHHRSA-N	-1	3	327.340	0.974	50	0		ECAAHM
CN(Cc1cc(-c2ccccc2)no1)C(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000072436377	216230429	/nfs/dbraw/zinc/23/04/29/216230429.db2.gz	ZSMXXLNVMAYKPA-ZDUSSCGKSA-N	-1	3	328.328	0.898	50	0		ECAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CCN(Cc2cccc(F)c2)CC1	ZINC000072479357	216257997	/nfs/dbraw/zinc/25/79/97/216257997.db2.gz	MYGMPEVYWOGRKJ-UHFFFAOYSA-N	-1	3	346.362	0.089	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)NCCc1csc(-c2cccnc2)n1	ZINC000216288217	241180855	/nfs/dbraw/zinc/18/08/55/241180855.db2.gz	MIYGHHDBNCYQJT-LLVKDONJSA-N	-1	3	345.384	0.462	50	0		ECAAHM
Cc1nc(CCNC(=O)Cn2c3ccccc3oc2=O)cc(=O)[n-]1	ZINC000219217211	241370449	/nfs/dbraw/zinc/37/04/49/241370449.db2.gz	LZCOEKYILSWIFV-UHFFFAOYSA-N	-1	3	328.328	0.757	50	0		ECAAHM
Cn1cc([C@H](NC(=O)c2ccc3n[n-]nc3c2)[C@H]2C[C@H](O)C2)cn1	ZINC000219300512	241377557	/nfs/dbraw/zinc/37/75/57/241377557.db2.gz	QKBZGWOFPIHWTO-IFUGULHKSA-N	-1	3	326.360	0.933	50	0		ECAAHM
Nc1nc(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc(=O)[n-]1	ZINC000253535363	244010643	/nfs/dbraw/zinc/01/06/43/244010643.db2.gz	VKRXOIOUUQBGMS-ZSGNIPIJSA-N	-1	3	329.360	0.330	50	0		ECAAHM
Cn1c(=O)[nH]c(=O)c2nc(CCC(=O)Nc3ccccc3)c(=O)[n-]c21	ZINC000253630366	244041305	/nfs/dbraw/zinc/04/13/05/244041305.db2.gz	XOXOPBTWAZFYEU-UHFFFAOYSA-N	-1	3	341.327	0.706	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(CCc2ccccc2)CC1	ZINC000078231778	217031536	/nfs/dbraw/zinc/03/15/36/217031536.db2.gz	FZDDPFCMTWNQGL-HNNXBMFYSA-N	-1	3	344.415	0.362	50	0		ECAAHM
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc2c(cnn2C)c(=O)[n-]1	ZINC000106573032	291550531	/nfs/dbraw/zinc/55/05/31/291550531.db2.gz	HUWRDECTJSBJCH-DRZSPHRISA-N	-1	3	345.403	0.963	50	0		ECAAHM
CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3n[n-]nc3c1)C2	ZINC000091706690	218051683	/nfs/dbraw/zinc/05/16/83/218051683.db2.gz	DLMJAQNUJHPHIG-CMPLNLGQSA-N	-1	3	349.416	0.454	50	0		ECAAHM
COc1cccc2c1OC[C@@H](C(=O)NCCc1nc(C)cc(=O)[n-]1)C2	ZINC000095388041	218318980	/nfs/dbraw/zinc/31/89/80/218318980.db2.gz	JIVUOGVPANREAH-ZDUSSCGKSA-N	-1	3	343.383	0.997	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1=O	ZINC000299749656	258007608	/nfs/dbraw/zinc/00/76/08/258007608.db2.gz	LEYWQPZXSKCWGA-UMVBOHGHSA-N	-1	3	339.436	0.545	50	0		ECAAHM
C[C@]1(C(=O)[O-])CCN(C(=O)C(Cc2ccccc2)S(C)(=O)=O)C1	ZINC000299745767	258008303	/nfs/dbraw/zinc/00/83/03/258008303.db2.gz	SHAWSLMCGZZZSW-BBRMVZONSA-N	-1	3	339.413	0.966	50	0		ECAAHM
COc1ccc(C(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c([O-])c1	ZINC000299793848	258098570	/nfs/dbraw/zinc/09/85/70/258098570.db2.gz	HYMAJFMGTXUTJP-UHFFFAOYSA-N	-1	3	346.387	0.423	50	0		ECAAHM
COc1cccc([C@]2(CC(=O)[O-])CC(=O)N(CCN(C)C)C2=O)c1	ZINC000299799950	258103674	/nfs/dbraw/zinc/10/36/74/258103674.db2.gz	WTNNTPHWNOPJHR-QGZVFWFLSA-N	-1	3	334.372	0.728	50	0		ECAAHM
Cc1[n-][nH]c(=O)c1CC(=O)NC1CCN(Cc2ccncc2)CC1	ZINC000299759031	258076791	/nfs/dbraw/zinc/07/67/91/258076791.db2.gz	MWTMSCMBLOSTHX-UHFFFAOYSA-N	-1	3	329.404	0.730	50	0		ECAAHM
COc1ccc(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc1C(=O)[O-]	ZINC000071278520	286309524	/nfs/dbraw/zinc/30/95/24/286309524.db2.gz	PMWLDYLTFACMTC-HOTGVXAUSA-N	-1	3	349.431	0.186	50	0		ECAAHM
Cc1ccc(C(=O)Cn2c(=O)[n-]c3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000001782803	435961415	/nfs/dbraw/zinc/96/14/15/435961415.db2.gz	XOKXOMXGKNQODX-UHFFFAOYSA-N	-1	3	328.328	0.331	50	0		ECAAHM
CC(=O)[C@H](C)OC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)[C@H](C)O	ZINC000071921354	436030297	/nfs/dbraw/zinc/03/02/97/436030297.db2.gz	YOVAKQQQTYYMBA-QXEWZRGKSA-N	-1	3	335.403	0.297	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000012594081	436051892	/nfs/dbraw/zinc/05/18/92/436051892.db2.gz	TTYLTEHCSWCEJF-GFCCVEGCSA-N	-1	3	330.344	0.506	50	0		ECAAHM
O=C1C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)CN1	ZINC000075158348	436155601	/nfs/dbraw/zinc/15/56/01/436155601.db2.gz	HBJISDXNSHRBIY-YFKPBYRVSA-N	-1	3	325.209	0.677	50	0		ECAAHM
CN(Cc1cccc(-n2cccn2)c1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000077437716	436238249	/nfs/dbraw/zinc/23/82/49/436238249.db2.gz	MHDKYOOIDQTFPG-AWEZNQCLSA-N	-1	3	341.371	0.819	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCc2[nH]c3ccc(F)cc3c2C1	ZINC000032800688	436245298	/nfs/dbraw/zinc/24/52/98/436245298.db2.gz	HPQOAINKNBJPQY-ZDUSSCGKSA-N	-1	3	330.319	0.790	50	0		ECAAHM
COc1ccc(OC)c([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)c1	ZINC000042853081	436321255	/nfs/dbraw/zinc/32/12/55/436321255.db2.gz	WVDIOXAXQRGVFI-QWHCGFSZSA-N	-1	3	347.371	0.965	50	0		ECAAHM
O=C1[C@H]([N-]S(=O)(=O)c2c[nH]cn2)CCCN1Cc1ccccc1	ZINC000090226017	436429582	/nfs/dbraw/zinc/42/95/82/436429582.db2.gz	OJJXVDUSWRAQHI-CYBMUJFWSA-N	-1	3	334.401	0.879	50	0		ECAAHM
Cc1ccc([C@H](CNC(=O)c2cnc(C)[n-]c2=O)N2CCOCC2)o1	ZINC000091792762	436460353	/nfs/dbraw/zinc/46/03/53/436460353.db2.gz	CLKNQKJBKIQWIC-AWEZNQCLSA-N	-1	3	346.387	0.783	50	0		ECAAHM
Cc1ncccc1CN1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)[O-])C1	ZINC000096164773	436517734	/nfs/dbraw/zinc/51/77/34/436517734.db2.gz	DOEABZRRSWAZHE-UKRRQHHQSA-N	-1	3	339.417	0.168	50	0		ECAAHM
CN1CCN(Cc2ncccn2)C[C@]12CCC(=O)N(CC(=O)[O-])CC2	ZINC000107650371	436612781	/nfs/dbraw/zinc/61/27/81/436612781.db2.gz	VYNMTZVTMXQUAS-QGZVFWFLSA-N	-1	3	347.419	0.060	50	0		ECAAHM
Cc1nc(CCNc2nccc(N3CCC[C@H](O)C3)n2)cc(=O)[n-]1	ZINC000065399054	436657551	/nfs/dbraw/zinc/65/75/51/436657551.db2.gz	DCGNWNDXLRUUCI-ZDUSSCGKSA-N	-1	3	330.392	0.484	50	0		ECAAHM
Cn1c(=O)[nH]c(=O)c2nc(CCc3nc4ccccc4[nH]3)c(=O)[n-]c21	ZINC000239672506	436757557	/nfs/dbraw/zinc/75/75/57/436757557.db2.gz	BTMQBCZURMIOLM-UHFFFAOYSA-N	-1	3	338.327	0.796	50	0		ECAAHM
COCCOCC[N-]S(=O)(=O)[C@H]1CS(=O)(=O)c2ccccc21	ZINC000069416573	436771516	/nfs/dbraw/zinc/77/15/16/436771516.db2.gz	YFNUHBWLUYFDIN-ZDUSSCGKSA-N	-1	3	349.430	0.097	50	0		ECAAHM
O=C1[C@H]([N-]S(=O)(=O)CC2CCOCC2)CN1c1ccc(F)cc1	ZINC000253429148	436845254	/nfs/dbraw/zinc/84/52/54/436845254.db2.gz	QNMWWPNTCWMJOF-CQSZACIVSA-N	-1	3	342.392	0.887	50	0		ECAAHM
CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1=O	ZINC000175718026	437115044	/nfs/dbraw/zinc/11/50/44/437115044.db2.gz	ZCHJWXYXFWLMHR-JTQLQIEISA-N	-1	3	332.328	0.779	50	0		ECAAHM
Cc1nnc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)s1	ZINC000332307736	437211328	/nfs/dbraw/zinc/21/13/28/437211328.db2.gz	RYFPTYUJZKEGLP-UHFFFAOYSA-N	-1	3	347.400	1.542	50	0		ECAAHM
O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)c1c[n-]nn1	ZINC000426555899	438065963	/nfs/dbraw/zinc/06/59/63/438065963.db2.gz	MVNVQUILUKDBMO-UHFFFAOYSA-N	-1	3	329.364	0.074	50	0		ECAAHM
O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)c1cnn[n-]1	ZINC000426555899	438065970	/nfs/dbraw/zinc/06/59/70/438065970.db2.gz	MVNVQUILUKDBMO-UHFFFAOYSA-N	-1	3	329.364	0.074	50	0		ECAAHM
O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)c1cn[n-]n1	ZINC000426555899	438065977	/nfs/dbraw/zinc/06/59/77/438065977.db2.gz	MVNVQUILUKDBMO-UHFFFAOYSA-N	-1	3	329.364	0.074	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](C)n3ccnc32)cn1	ZINC000408522184	438582250	/nfs/dbraw/zinc/58/22/50/438582250.db2.gz	FERXBKVYJSZUEA-GXSJLCMTSA-N	-1	3	335.389	0.622	50	0		ECAAHM
COC[C@H](CS(=O)(=O)[N-]Cc1noc(-c2cccs2)n1)OC	ZINC000585115870	439632224	/nfs/dbraw/zinc/63/22/24/439632224.db2.gz	WYSWZLWIHGRGOZ-SECBINFHSA-N	-1	3	347.418	0.879	50	0		ECAAHM
C[N-]S(=O)(=O)c1cc(S(=O)(=O)NC)ccc1Br	ZINC000071767071	545680478	/nfs/dbraw/zinc/68/04/78/545680478.db2.gz	ZXPMIGGCROONBZ-UHFFFAOYSA-N	-1	3	343.224	0.265	50	0		ECAAHM
Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)NC[C@H]1CCCN1C	ZINC000075124034	545688601	/nfs/dbraw/zinc/68/86/01/545688601.db2.gz	ZWNMQZGIPKBUCC-CYBMUJFWSA-N	-1	3	341.415	0.893	50	0		ECAAHM
CCOC(=O)N[C@@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)C1	ZINC000052828179	214149199	/nfs/dbraw/zinc/14/91/99/214149199.db2.gz	JOQDPRCAIZAOHU-SNVBAGLBSA-N	-1	3	334.380	0.367	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N2CCN(Cc3cscn3)CC2)c(=O)[n-]1	ZINC000055449812	214324302	/nfs/dbraw/zinc/32/43/02/214324302.db2.gz	IFKKRIHODIKOST-UHFFFAOYSA-N	-1	3	347.444	0.730	50	0		ECAAHM
COc1ccc(OC2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)cc1	ZINC000097915073	219059622	/nfs/dbraw/zinc/05/96/22/219059622.db2.gz	KAXDIXSYAJYUOQ-AWEZNQCLSA-N	-1	3	347.371	0.663	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCCN(c2ccccc2)CC1	ZINC000097915093	219059841	/nfs/dbraw/zinc/05/98/41/219059841.db2.gz	LNASBTQYLJOKFP-CQSZACIVSA-N	-1	3	330.388	0.714	50	0		ECAAHM
Cn1c2[nH]c(=S)n(C[C@H](O)COc3ccccc3)c2c(=O)[n-]c1=O	ZINC000100639730	219103576	/nfs/dbraw/zinc/10/35/76/219103576.db2.gz	BDHANQWERUNOJW-VIFPVBQESA-N	-1	3	348.384	0.152	50	0		ECAAHM
Cc1c(S(=O)(=O)[N-]c2ccc(F)cc2)c(=O)n(C)c(=O)n1C	ZINC000004337733	210174174	/nfs/dbraw/zinc/17/41/74/210174174.db2.gz	UGIXDDURIYXGTD-UHFFFAOYSA-N	-1	3	327.337	0.332	50	0		ECAAHM
Nc1nc2c(c(=O)[n-]1)CCN(C(=O)CCc1nc3ccccc3[nH]1)C2	ZINC000072144810	216030300	/nfs/dbraw/zinc/03/03/00/216030300.db2.gz	YJMMRIANYQKIJG-UHFFFAOYSA-N	-1	3	338.371	0.746	50	0		ECAAHM
O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCn2cncc2C1	ZINC000072166509	216055544	/nfs/dbraw/zinc/05/55/44/216055544.db2.gz	YZEBUWXYOYODRS-UHFFFAOYSA-N	-1	3	325.328	0.595	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)NCCc1nccc(-c2ccccc2)n1	ZINC000216500702	241199909	/nfs/dbraw/zinc/19/99/09/241199909.db2.gz	MIUIWWVCHUSGCO-CYBMUJFWSA-N	-1	3	339.355	0.400	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C1CC(O)C1	ZINC000219130683	241367071	/nfs/dbraw/zinc/36/70/71/241367071.db2.gz	ZYWWJIGMBZFYKM-GDKBPFBDSA-N	-1	3	340.405	0.815	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]Cc2nc(-c3cccn3C)no2)cn1C	ZINC000225768192	242026638	/nfs/dbraw/zinc/02/66/38/242026638.db2.gz	HDSIDAIZIZAPGG-UHFFFAOYSA-N	-1	3	336.377	0.596	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)NCCc1cnn(-c2ccccc2)c1	ZINC000020878024	212182141	/nfs/dbraw/zinc/18/21/41/212182141.db2.gz	YRJHEYVLTPMFQR-UHFFFAOYSA-N	-1	3	327.344	0.083	50	0		ECAAHM
Cn1cc(C(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c(=O)[n-]c1=O	ZINC000253535254	244010013	/nfs/dbraw/zinc/01/00/13/244010013.db2.gz	MIJLPZAEQBLFFM-UMVBOHGHSA-N	-1	3	343.383	0.598	50	0		ECAAHM
COc1ccc(CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)c(F)c1F	ZINC000091452704	218009295	/nfs/dbraw/zinc/00/92/95/218009295.db2.gz	PHFKSDVTERZBRS-MRVPVSSYSA-N	-1	3	327.287	0.578	50	0		ECAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]CCn1ncccc1=O	ZINC000011856325	211258983	/nfs/dbraw/zinc/25/89/83/211258983.db2.gz	KXJYIXNYMKMTPP-UHFFFAOYSA-N	-1	3	327.337	0.370	50	0		ECAAHM
CC(=O)N1C[C@@H]2CN(Cc3cnn(C)c3C3CC3)C[C@]2(C(=O)[O-])C1	ZINC000091585710	218024176	/nfs/dbraw/zinc/02/41/76/218024176.db2.gz	KOZBCYLTIUITOI-YOEHRIQHSA-N	-1	3	332.404	0.662	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1noc(Cc2cccs2)n1	ZINC000091997303	218100765	/nfs/dbraw/zinc/10/07/65/218100765.db2.gz	CTXDZWPFAXNLSO-VIFPVBQESA-N	-1	3	349.372	0.326	50	0		ECAAHM
O=C(CN1C(=O)c2ccccc2C1=O)[N-]N1C(=O)c2ccccc2C1=O	ZINC000004990042	210351214	/nfs/dbraw/zinc/35/12/14/210351214.db2.gz	INWLYHNIDIUJHQ-UHFFFAOYSA-N	-1	3	349.302	0.610	50	0	aggregator	ECAAHM
CCN1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCC(=O)[O-])CC1=O	ZINC000299750563	258007714	/nfs/dbraw/zinc/00/77/14/258007714.db2.gz	NWPNOZUUTMFIMD-OLZOCXBDSA-N	-1	3	325.409	0.252	50	0		ECAAHM
COc1cccc(NC(=O)C[C@H](CN2CCN(C)CC2)C(=O)[O-])c1	ZINC000061721762	295306985	/nfs/dbraw/zinc/30/69/85/295306985.db2.gz	SVOBIQRHLPFPRW-CYBMUJFWSA-N	-1	3	335.404	0.972	50	0		ECAAHM
C[C@H](CCC(=O)NC1(C(=O)[O-])CCOCC1)N1CCN(C)CC1	ZINC000426490624	298366033	/nfs/dbraw/zinc/36/60/33/298366033.db2.gz	SOQKUTXFEVQETM-CYBMUJFWSA-N	-1	3	327.425	0.153	50	0		ECAAHM
CCOC(=O)C(Sc1nc(N(C)C)nc(N(C)C)n1)=C(C)[O-]	ZINC000000616323	435954999	/nfs/dbraw/zinc/95/49/99/435954999.db2.gz	PTKLFRUHPAZXDJ-VIFPVBQESA-N	-1	3	327.410	0.616	50	0		ECAAHM
CS(=O)(=O)N1CCC[C@@H](C(=O)N2NC=C[C@@]2([O-])C(F)(F)F)C1	ZINC000006519931	435999264	/nfs/dbraw/zinc/99/92/64/435999264.db2.gz	PLFJVOHFGLTJOV-PSASIEDQSA-N	-1	3	343.327	0.127	50	0		ECAAHM
O=C([O-])C[C@@H]1CNCCN(C(=O)CCc2ccc3c(c2)OCO3)C1	ZINC000071767586	436009367	/nfs/dbraw/zinc/00/93/67/436009367.db2.gz	OVHBNXVXKBDIKU-CYBMUJFWSA-N	-1	3	334.372	0.871	50	0		ECAAHM
CN1CCN(C(=O)[C@H]2C[C@H](C(=O)[O-])CN(Cc3ccccn3)C2)CC1	ZINC000071752004	436011026	/nfs/dbraw/zinc/01/10/26/436011026.db2.gz	GYNPEPVIXOCYTF-GJZGRUSLSA-N	-1	3	346.431	0.378	50	0		ECAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc[nH]1	ZINC000007738563	436015800	/nfs/dbraw/zinc/01/58/00/436015800.db2.gz	VKZDNJMVVYZZEY-UHFFFAOYSA-N	-1	3	327.296	0.444	50	0		ECAAHM
Cc1cc([N-]C(=O)[C@H](C)N2CCO[C@H](Cn3nc(C)nc3C)C2)on1	ZINC000072253480	436036333	/nfs/dbraw/zinc/03/63/33/436036333.db2.gz	DWPKWFQNYJCNER-FZMZJTMJSA-N	-1	3	348.407	0.919	50	0		ECAAHM
CC(=O)c1ccc(N2CCN(C(=O)C[C@H]3NC(=O)[N-]C3=O)CC2)cc1	ZINC000012607622	436054605	/nfs/dbraw/zinc/05/46/05/436054605.db2.gz	IMEPHQRFYPABIN-CQSZACIVSA-N	-1	3	344.371	0.136	50	0		ECAAHM
Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCN(C)C1	ZINC000075121880	436151228	/nfs/dbraw/zinc/15/12/28/436151228.db2.gz	OUWFUBLWYMGTBK-CYBMUJFWSA-N	-1	3	341.415	0.893	50	0		ECAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CCC[C@@H](C(=O)c2ccccc2)C1	ZINC000077458350	436237443	/nfs/dbraw/zinc/23/74/43/436237443.db2.gz	VAOZZOWCRFWERQ-CYBMUJFWSA-N	-1	3	341.367	0.727	50	0		ECAAHM
Cc1ccccc1N1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)CC1=O	ZINC000077436694	436237715	/nfs/dbraw/zinc/23/77/15/436237715.db2.gz	YSQLKKYRCHVJHU-LBPRGKRZSA-N	-1	3	344.371	0.158	50	0		ECAAHM
CN(Cc1cccc(-n2cccn2)c1)C(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000077471972	436238977	/nfs/dbraw/zinc/23/89/77/436238977.db2.gz	UIFCIGATQSJOPX-UHFFFAOYSA-N	-1	3	325.328	0.521	50	0		ECAAHM
C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2ccccc2[O-])C[C@H](C)O1	ZINC000031899135	436232500	/nfs/dbraw/zinc/23/25/00/436232500.db2.gz	DZCKOPXEYYOAJS-TXEJJXNPSA-N	-1	3	342.417	0.561	50	0		ECAAHM
CN(Cc1cnn(-c2ccccc2)n1)C(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000046622407	436397591	/nfs/dbraw/zinc/39/75/91/436397591.db2.gz	XEQMYVGARXPVKE-CYBMUJFWSA-N	-1	3	342.359	0.214	50	0		ECAAHM
COc1ccc(C2=CCN(C(=O)C[C@H]3NC(=O)[N-]C3=O)CC2)cc1	ZINC000049279115	436468031	/nfs/dbraw/zinc/46/80/31/436468031.db2.gz	IHJGGHTZIQHNHV-CQSZACIVSA-N	-1	3	329.356	0.909	50	0		ECAAHM
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc2c(cnn2C)c(=O)[n-]1	ZINC000106573030	436598262	/nfs/dbraw/zinc/59/82/62/436598262.db2.gz	HUWRDECTJSBJCH-WXHSDQCUSA-N	-1	3	345.403	0.963	50	0		ECAAHM
CCc1c(C)nn(CC(=O)NCCNc2nc(C)cc(=O)[n-]2)c1C	ZINC000223372647	436707282	/nfs/dbraw/zinc/70/72/82/436707282.db2.gz	JOYRSEJMBDUFFF-UHFFFAOYSA-N	-1	3	332.408	0.682	50	0		ECAAHM
CC(=O)OCCCS(=O)(=O)[N-][C@H]1CS(=O)(=O)c2ccccc21	ZINC000225659790	436713852	/nfs/dbraw/zinc/71/38/52/436713852.db2.gz	OKOGMJOXWSLZOG-LBPRGKRZSA-N	-1	3	347.414	0.388	50	0		ECAAHM
Cc1nnc2n1C[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)CC2	ZINC000065473965	436662845	/nfs/dbraw/zinc/66/28/45/436662845.db2.gz	NJWSZHIEEKHWQG-GFCCVEGCSA-N	-1	3	330.392	0.350	50	0		ECAAHM
Cc1cnc(C(=O)NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)cn1	ZINC000238895670	436757578	/nfs/dbraw/zinc/75/75/78/436757578.db2.gz	QZZBPMHLQSAHQK-UHFFFAOYSA-N	-1	3	328.376	0.988	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-][C@H]2CC[C@H](Oc3ncccn3)CC2)c1	ZINC000252551074	436837922	/nfs/dbraw/zinc/83/79/22/436837922.db2.gz	TXXKNTMBCKTWIJ-HAQNSBGRSA-N	-1	3	337.405	0.879	50	0		ECAAHM
Cc1cc(=O)[n-]c([C@H](C)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1	ZINC000192625097	437681963	/nfs/dbraw/zinc/68/19/63/437681963.db2.gz	OLLCSKHMQYNUSG-UONOGXRCSA-N	-1	3	333.436	0.790	50	0		ECAAHM
CCc1cc(C(=O)N2CCN(c3cc(=O)[n-]c(N)n3)CC2)cc(=O)[nH]1	ZINC000426444872	438060193	/nfs/dbraw/zinc/06/01/93/438060193.db2.gz	FCLYJHBCTTWWHN-UHFFFAOYSA-N	-1	3	344.375	0.390	50	0		ECAAHM
Cc1nccc(O[C@@H]2CCCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)n1	ZINC000575606153	438750746	/nfs/dbraw/zinc/75/07/46/438750746.db2.gz	SHIPSUDXJLBFCR-SNVBAGLBSA-N	-1	3	331.332	0.670	50	0		ECAAHM
Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](CO)Cc1cnn(C)c1	ZINC000583651434	439495927	/nfs/dbraw/zinc/49/59/27/439495927.db2.gz	LVIXREZTXZTLIN-CYBMUJFWSA-N	-1	3	341.408	0.997	50	0		ECAAHM
Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)NC[C@@H]1CCCN1C	ZINC000075124030	545687731	/nfs/dbraw/zinc/68/77/31/545687731.db2.gz	ZWNMQZGIPKBUCC-ZDUSSCGKSA-N	-1	3	341.415	0.893	50	0		ECAAHM
NC(=O)CN1CCC[C@@H](C(=O)Nc2ccc(Oc3nnn[n-]3)cc2)C1	ZINC000952968506	612138987	/nfs/dbraw/zinc/13/89/87/612138987.db2.gz	NEHBKVLRZOZRAF-SNVBAGLBSA-N	-1	3	345.363	0.128	50	0		ECAAHM
CN(C)CCn1c2nc3ccccc3n2nc(CCC(=O)[O-])c1=O	ZINC000051325917	282115265	/nfs/dbraw/zinc/11/52/65/282115265.db2.gz	CSYVKGULUOEQEQ-UHFFFAOYSA-N	-1	3	329.360	0.623	50	0		ECAAHM
C[C@@H](C(=O)N1CCc2c(nc(N)[n-]c2=O)C1)n1cnc2ccccc21	ZINC000072147257	216034222	/nfs/dbraw/zinc/03/42/22/216034222.db2.gz	TYNZOZXYWRWWMS-JTQLQIEISA-N	-1	3	338.371	0.848	50	0		ECAAHM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCC2)s1	ZINC000072436931	216232970	/nfs/dbraw/zinc/23/29/70/216232970.db2.gz	BWTINHLNNOAOBA-UHFFFAOYSA-N	-1	3	347.466	0.651	50	0		ECAAHM
Cc1nc(CNC(=O)CCn2c3ccccc3[nH]c2=O)cc(=O)[n-]1	ZINC000023250531	212364691	/nfs/dbraw/zinc/36/46/91/212364691.db2.gz	MORYXTCIXYGMFK-UHFFFAOYSA-N	-1	3	327.344	0.428	50	0		ECAAHM
Cn1cc(C(=O)N2CCCC[C@H]2CCn2cccn2)c(=O)[n-]c1=O	ZINC000216041579	241160825	/nfs/dbraw/zinc/16/08/25/241160825.db2.gz	VNAUBHFXYWSVRP-LBPRGKRZSA-N	-1	3	331.376	0.355	50	0		ECAAHM
Cn1cc(C(=O)N2CCC(Oc3cccnc3)CC2)c(=O)[n-]c1=O	ZINC000215482651	241128114	/nfs/dbraw/zinc/12/81/14/241128114.db2.gz	SJTCKBAGGQAMKW-UHFFFAOYSA-N	-1	3	330.344	0.152	50	0		ECAAHM
O=C(NCc1c[nH]c(=O)[n-]c1=O)c1ccc(N2CCCCC2)cc1	ZINC000215483866	241129147	/nfs/dbraw/zinc/12/91/47/241129147.db2.gz	SIBWYVBEULZLHW-UHFFFAOYSA-N	-1	3	328.372	0.984	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@H]2CCCCN2C(=O)C2CC2)n1	ZINC000219374402	241383340	/nfs/dbraw/zinc/38/33/40/241383340.db2.gz	IJQPKAILUOFRHF-CYBMUJFWSA-N	-1	3	347.419	0.398	50	0		ECAAHM
Nc1nc([C@H]2C[C@@H](NC(=O)CCC3=NNC(=O)CC3)C2)cc(=O)[n-]1	ZINC000253534892	244005772	/nfs/dbraw/zinc/00/57/72/244005772.db2.gz	REMFZYZOBAPILL-WAAGHKOSSA-N	-1	3	332.364	0.173	50	0		ECAAHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CN(C3CC3)C[C@@H]2C)o1	ZINC000079099952	217193605	/nfs/dbraw/zinc/19/36/05/217193605.db2.gz	YVISIMGZNPTCBQ-ONGXEEELSA-N	-1	3	328.390	0.827	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1csc(-c2ncccn2)n1	ZINC000091649693	218039856	/nfs/dbraw/zinc/03/98/56/218039856.db2.gz	VFXUHAQXMNCKAS-SECBINFHSA-N	-1	3	346.372	0.205	50	0		ECAAHM
Cc1ncc(C(=O)NCCc2nc(-c3cccnc3)no2)c(=O)[n-]1	ZINC000091678636	218045649	/nfs/dbraw/zinc/04/56/49/218045649.db2.gz	LDEYNEMNGNJZOP-UHFFFAOYSA-N	-1	3	326.316	0.496	50	0		ECAAHM
Cc1nc(CCNC(=O)Cn2cnc3ccccc3c2=O)cc(=O)[n-]1	ZINC000091998052	218101446	/nfs/dbraw/zinc/10/14/46/218101446.db2.gz	VVVVQJGZKCUEOG-UHFFFAOYSA-N	-1	3	339.355	0.147	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)N1CCC[C@H]1CO)CNCC2	ZINC000067741076	304218165	/nfs/dbraw/zinc/21/81/65/304218165.db2.gz	QAPOQAFKKSWURV-QMMMGPOBSA-N	-1	3	346.430	0.237	50	0		ECAAHM
CC(=O)N1C[C@H](NC(=O)c2ccccc2-c2nnn[n-]2)[C@@H](C2CC2)C1	ZINC000095361071	218294516	/nfs/dbraw/zinc/29/45/16/218294516.db2.gz	SSNYZACNZJLFFT-CABCVRRESA-N	-1	3	340.387	0.853	50	0		ECAAHM
CC(=O)N1C[C@H](NC(=O)c2ccccc2-c2nn[n-]n2)[C@@H](C2CC2)C1	ZINC000095361071	218294519	/nfs/dbraw/zinc/29/45/19/218294519.db2.gz	SSNYZACNZJLFFT-CABCVRRESA-N	-1	3	340.387	0.853	50	0		ECAAHM
CN(CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)C[C@H]1O	ZINC000328596204	258042695	/nfs/dbraw/zinc/04/26/95/258042695.db2.gz	WRNNBDRFZRMLRR-BZUAXINKSA-N	-1	3	332.400	0.695	50	0		ECAAHM
COc1ccc2c(c1)OC[C@H](C(=O)N(CCN(C)C)CC(=O)[O-])C2	ZINC000299752429	258007063	/nfs/dbraw/zinc/00/70/63/258007063.db2.gz	UCZAXYJPCVPUOQ-CYBMUJFWSA-N	-1	3	336.388	0.721	50	0		ECAAHM
CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	ZINC000299751150	258007171	/nfs/dbraw/zinc/00/71/71/258007171.db2.gz	PSMCPNRVHZLAHS-LBPRGKRZSA-N	-1	3	337.351	0.726	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cn1	ZINC000294090670	258011782	/nfs/dbraw/zinc/01/17/82/258011782.db2.gz	XODCTHCXKBPDMS-PHIMTYICSA-N	-1	3	326.422	0.154	50	0		ECAAHM
C[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000002131020	435965229	/nfs/dbraw/zinc/96/52/29/435965229.db2.gz	KUTRTWHERPZXSV-WFASDCNBSA-N	-1	3	347.415	0.384	50	0		ECAAHM
C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000002637971	435967818	/nfs/dbraw/zinc/96/78/18/435967818.db2.gz	WZMDLDFVJKKFKV-LLVKDONJSA-N	-1	3	345.355	0.358	50	0		ECAAHM
CC(C)[C@@H]1CCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000071829990	436015846	/nfs/dbraw/zinc/01/58/46/436015846.db2.gz	AYFYEANDXHIWAT-JTQLQIEISA-N	-1	3	344.209	0.946	50	0		ECAAHM
C[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)CN1CCN(C)CC1	ZINC000071972572	436034722	/nfs/dbraw/zinc/03/47/22/436034722.db2.gz	CHWMSZPJAOENKO-NSHDSACASA-N	-1	3	349.888	0.235	50	0		ECAAHM
CCCC12CN3CC(C)(CN(C1)C3c1c(C)[nH]c(=O)[n-]c1=O)C2=O	ZINC000019326289	436107896	/nfs/dbraw/zinc/10/78/96/436107896.db2.gz	PAARLRWCSLUKGQ-UHFFFAOYSA-N	-1	3	332.404	0.377	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)Nc1ccc(N2CCCC2=O)cc1	ZINC000012899537	436057028	/nfs/dbraw/zinc/05/70/28/436057028.db2.gz	YIILXTUDLZVMIF-GFCCVEGCSA-N	-1	3	330.344	0.740	50	0		ECAAHM
CN1CCN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@@H]2C1	ZINC000017028552	436098442	/nfs/dbraw/zinc/09/84/42/436098442.db2.gz	WJMNLNOOSIATJT-GUYCJALGSA-N	-1	3	328.372	0.898	50	0		ECAAHM
CC[C@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1	ZINC000027151973	436173268	/nfs/dbraw/zinc/17/32/68/436173268.db2.gz	JKNHXCBTPWFSBX-VIFPVBQESA-N	-1	3	344.209	0.948	50	0		ECAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@@H](OCc2cccnc2)C1	ZINC000077407503	436236149	/nfs/dbraw/zinc/23/61/49/436236149.db2.gz	KCANEEFMMLUVPE-GFCCVEGCSA-N	-1	3	330.344	0.692	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCCN(c2ccc(F)cc2)CC1	ZINC000077505580	436240313	/nfs/dbraw/zinc/24/03/13/436240313.db2.gz	UZZGDDGJXAZOJM-CYBMUJFWSA-N	-1	3	334.351	0.463	50	0		ECAAHM
COc1ccc([C@@H](O)CNC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1	ZINC000031416025	436228401	/nfs/dbraw/zinc/22/84/01/436228401.db2.gz	OUSPAGUKZFMTFN-HNNXBMFYSA-N	-1	3	331.372	0.788	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCSCC2)s1	ZINC000044967394	436356617	/nfs/dbraw/zinc/35/66/17/436356617.db2.gz	QJDKLXWJKRBENH-UHFFFAOYSA-N	-1	3	335.476	0.915	50	0		ECAAHM
Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)c(C)c1	ZINC000048235358	436444438	/nfs/dbraw/zinc/44/44/38/436444438.db2.gz	UHXCMODGQJXGTD-UHFFFAOYSA-N	-1	3	337.401	0.666	50	0		ECAAHM
C[C@@H]1CN(c2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)CCN1	ZINC000096148350	436515854	/nfs/dbraw/zinc/51/58/54/436515854.db2.gz	ISAQMOFHGTWDSJ-GFCCVEGCSA-N	-1	3	349.435	0.474	50	0		ECAAHM
CCN1CC2(CC1=O)CCN(Cc1nc3c(cnn3C)c(=O)[n-]1)CC2	ZINC000095515252	436497141	/nfs/dbraw/zinc/49/71/41/436497141.db2.gz	PRCZILNKPGXONC-UHFFFAOYSA-N	-1	3	344.419	0.903	50	0		ECAAHM
O=C(NCCn1nc2ccccn2c1=O)c1cc(=O)c2ccccc2[n-]1	ZINC000057240020	436607476	/nfs/dbraw/zinc/60/74/76/436607476.db2.gz	MGQVGADUTKMPGZ-UHFFFAOYSA-N	-1	3	349.350	0.768	50	0		ECAAHM
CC(=O)N1C[C@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@@]2(C(=O)[O-])C1	ZINC000065383844	436657590	/nfs/dbraw/zinc/65/75/90/436657590.db2.gz	BMLOUFYFJZQACG-RDTXWAMCSA-N	-1	3	346.383	0.823	50	0		ECAAHM
Cc1csc([C@@H]2CN(Cc3nc4c(cnn4C)c(=O)[n-]3)CCO2)n1	ZINC000065512295	436665473	/nfs/dbraw/zinc/66/54/73/436665473.db2.gz	UWUBJLPITBWGOY-NSHDSACASA-N	-1	3	346.416	0.995	50	0		ECAAHM
CN(Cc1nccn1Cc1ccccc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000121734889	436722591	/nfs/dbraw/zinc/72/25/91/436722591.db2.gz	LTAUGXXJGURRNU-ZDUSSCGKSA-N	-1	3	341.371	0.488	50	0		ECAAHM
Cc1ccc(CNC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)s1	ZINC000069517803	436776939	/nfs/dbraw/zinc/77/69/39/436776939.db2.gz	QDVPVFNRNSCWIC-UHFFFAOYSA-N	-1	3	342.446	0.693	50	0		ECAAHM
CO[C@]12CCN(Cc3cc(=O)n4[n-]c(C)cc4n3)[C@H]1C[C@@H](O)CC2	ZINC000390832244	438434392	/nfs/dbraw/zinc/43/43/92/438434392.db2.gz	PIYINAAWXSJQCF-GRDNDAEWSA-N	-1	3	332.404	0.835	50	0		ECAAHM
CCc1nnc2n1CCN(CC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1)C2	ZINC000588079085	438816534	/nfs/dbraw/zinc/81/65/34/438816534.db2.gz	GXXUEVMJSVIDRG-LBPRGKRZSA-N	-1	3	343.435	0.884	50	0		ECAAHM
CC1(C)C(CNC(=O)CCn2cc(C(N)=O)c(=O)[n-]c2=O)C1(C)C	ZINC000585121453	439632446	/nfs/dbraw/zinc/63/24/46/439632446.db2.gz	PUDDYJQLYLNJGK-UHFFFAOYSA-N	-1	3	336.392	0.236	50	0		ECAAHM
Cc1cc(=NC(=O)c2c(C)noc2C)n([C@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159368	526109886	/nfs/dbraw/zinc/10/98/86/526109886.db2.gz	JUFUHSXDCLQSKO-NSHDSACASA-N	-1	3	338.389	0.830	50	0		ECAAHM
CC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[n-]n2c1=O	ZINC000230274688	535949813	/nfs/dbraw/zinc/94/98/13/535949813.db2.gz	HYNYKFOMMSWFBJ-CABZTGNLSA-N	-1	3	336.392	0.080	50	0		ECAAHM
CN(C(=O)CN1CCN(c2cc(=O)[n-]c(N)n2)CC1)C1CCCCC1	ZINC000253536024	535989517	/nfs/dbraw/zinc/98/95/17/535989517.db2.gz	DDEDWYXDCIUZSB-UHFFFAOYSA-N	-1	3	348.451	0.678	50	0		ECAAHM
COc1nc(C[N-]S(=O)(=O)c2ccccc2)nc(N2CCCC2)n1	ZINC000575603840	546281881	/nfs/dbraw/zinc/28/18/81/546281881.db2.gz	LQGCHKGBCFHIKO-UHFFFAOYSA-N	-1	3	349.416	0.959	50	0		ECAAHM
Cc1ccc(NC(=O)CCNC(=O)CN2CC(=O)[N-]C2=O)c(C)c1	ZINC000670443123	548012531	/nfs/dbraw/zinc/01/25/31/548012531.db2.gz	IIPUPTAGTQDRHS-UHFFFAOYSA-N	-1	3	332.360	0.300	50	0		ECAAHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCNc1ncccn1	ZINC000736333742	578423975	/nfs/dbraw/zinc/42/39/75/578423975.db2.gz	NFEUMZMNHHUNCC-UHFFFAOYSA-N	-1	3	330.801	0.562	50	0		ECAAHM
CCCCNC(=O)[C@@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)C1	ZINC000051063252	214076368	/nfs/dbraw/zinc/07/63/68/214076368.db2.gz	UKHNLHWSKJVLPF-GFCCVEGCSA-N	-1	3	346.435	0.785	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1cccc(Cn2cccn2)c1	ZINC000097915158	219059782	/nfs/dbraw/zinc/05/97/82/219059782.db2.gz	HYMXXFAOXPFIRP-AWEZNQCLSA-N	-1	3	341.371	0.536	50	0		ECAAHM
COC(=O)Cc1cc(=O)n2nc(NCc3ccccc3F)[n-]c2n1	ZINC000101483720	219129338	/nfs/dbraw/zinc/12/93/38/219129338.db2.gz	AHWJZZGHUXGPSU-UHFFFAOYSA-N	-1	3	331.307	0.884	50	0		ECAAHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)c1	ZINC000069846759	215604491	/nfs/dbraw/zinc/60/44/91/215604491.db2.gz	KTHWUSXVGNHCHE-VIFPVBQESA-N	-1	3	342.352	0.571	50	0		ECAAHM
O=C([O-])CN1CCN(C(=O)CCn2cnc3ccccc32)C[C@@H](O)C1	ZINC000097413370	304067708	/nfs/dbraw/zinc/06/77/08/304067708.db2.gz	SZIUXMURDQQZKQ-ZDUSSCGKSA-N	-1	3	346.387	0.016	50	0		ECAAHM
Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(CCC(=O)[O-])C1	ZINC000072429388	216220139	/nfs/dbraw/zinc/22/01/39/216220139.db2.gz	YNKNPQXKUPCFOP-ZDUSSCGKSA-N	-1	3	337.424	0.301	50	0		ECAAHM
COc1ccc(C(=O)N2CCN(C(=O)c3cnc[n-]c3=O)CC2)cc1	ZINC000072427159	216217895	/nfs/dbraw/zinc/21/78/95/216217895.db2.gz	MOBKBHVRTCEQJC-UHFFFAOYSA-N	-1	3	342.355	0.377	50	0		ECAAHM
C[C@@]1([N-]S(=O)(=O)c2ccc(F)cc2F)CCS(=O)(=O)C1	ZINC000023743381	212392600	/nfs/dbraw/zinc/39/26/00/212392600.db2.gz	WWGRBHHOMBTQHU-LLVKDONJSA-N	-1	3	325.358	0.820	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)c2cc3c([nH]c2=O)CCC3)n1	ZINC000219137302	241366842	/nfs/dbraw/zinc/36/68/42/241366842.db2.gz	KKVHRNLNQDGEFV-UHFFFAOYSA-N	-1	3	329.360	0.097	50	0		ECAAHM
O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cc(=O)[n-]c(=O)[nH]1	ZINC000218786305	241346234	/nfs/dbraw/zinc/34/62/34/241346234.db2.gz	IAZLRYXALZONQT-TZMCWYRMSA-N	-1	3	345.355	0.167	50	0		ECAAHM
CS(=O)(=O)[N-]c1ccc(C(=O)NCCCN2CCOCC2)cc1	ZINC000020567936	212147423	/nfs/dbraw/zinc/14/74/23/212147423.db2.gz	MECYHIRRMVUZDI-UHFFFAOYSA-N	-1	3	341.433	0.510	50	0		ECAAHM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)OC	ZINC000078517138	217066998	/nfs/dbraw/zinc/06/69/98/217066998.db2.gz	JAYJPTOVJCQCSX-SNVBAGLBSA-N	-1	3	333.337	0.517	50	0		ECAAHM
Cn1cc(C(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)c(=O)[n-]c1=O	ZINC000091526633	218017571	/nfs/dbraw/zinc/01/75/71/218017571.db2.gz	BLMXMVALLJPSPB-AWEZNQCLSA-N	-1	3	343.383	0.271	50	0		ECAAHM
CCCCn1ccnc1C1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1	ZINC000091595022	218029486	/nfs/dbraw/zinc/02/94/86/218029486.db2.gz	KGLCUISORRMCTE-UHFFFAOYSA-N	-1	3	347.419	0.941	50	0		ECAAHM
CCc1nc(C)c(CC(=O)N2CC[C@@]3(C2)CCCN(C)C3=O)c(=O)[n-]1	ZINC000091943321	218092271	/nfs/dbraw/zinc/09/22/71/218092271.db2.gz	HPCQFYLKIHIKQS-GOSISDBHSA-N	-1	3	346.431	0.654	50	0		ECAAHM
Cc1ccn2c(c1)nc([O-])c(C(=O)NCCCN1CCOCC1)c2=O	ZINC000009830185	211127670	/nfs/dbraw/zinc/12/76/70/211127670.db2.gz	ZTZKOLSGLVQLQB-UHFFFAOYSA-N	-1	3	346.387	0.161	50	0		ECAAHM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(Cc2ccccc2)S(C)(=O)=O)C1	ZINC000299745769	258008473	/nfs/dbraw/zinc/00/84/73/258008473.db2.gz	SHAWSLMCGZZZSW-CZUORRHYSA-N	-1	3	339.413	0.966	50	0		ECAAHM
Cc1nn(CCO)cc1CN1C[C@H](CC(=O)[O-])[C@H](c2cn(C)nn2)C1	ZINC000299799820	258103696	/nfs/dbraw/zinc/10/36/96/258103696.db2.gz	TYINKKBMBHTACF-GXTWGEPZSA-N	-1	3	348.407	0.003	50	0		ECAAHM
CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000001709606	435962607	/nfs/dbraw/zinc/96/26/07/435962607.db2.gz	KEVYYIMVELOXCT-KBPBESRZSA-N	-1	3	335.404	0.288	50	0		ECAAHM
CC[C@@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](CC)CO	ZINC000003151956	435970648	/nfs/dbraw/zinc/97/06/48/435970648.db2.gz	PASPZOXUCPYOIU-YUMQZZPRSA-N	-1	3	332.294	0.031	50	0		ECAAHM
CCOC([O-])=NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O	ZINC000003516742	435974526	/nfs/dbraw/zinc/97/45/26/435974526.db2.gz	UYQAUHFGAINVOT-INIZCTEOSA-N	-1	3	331.328	0.653	50	0		ECAAHM
CCOC(=O)[N-]C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O	ZINC000003516742	435974533	/nfs/dbraw/zinc/97/45/33/435974533.db2.gz	UYQAUHFGAINVOT-INIZCTEOSA-N	-1	3	331.328	0.653	50	0		ECAAHM
O=c1[n-]c(=O)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c[nH]1	ZINC000005375880	435989879	/nfs/dbraw/zinc/98/98/79/435989879.db2.gz	ZXRREIDNACENDI-UHFFFAOYSA-N	-1	3	349.412	0.707	50	0		ECAAHM
O=C(c1cc(=O)c2ccccc2[n-]1)N1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1	ZINC000071614226	436007887	/nfs/dbraw/zinc/00/78/87/436007887.db2.gz	RXHHHFVCJKDDAU-YNHQPCIGSA-N	-1	3	328.368	0.732	50	0		ECAAHM
COc1ccccc1N1CCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)CC1	ZINC000012555631	436051011	/nfs/dbraw/zinc/05/10/11/436051011.db2.gz	MXXDNXVZZLLILP-GFCCVEGCSA-N	-1	3	346.387	0.332	50	0		ECAAHM
C[C@H]1CCC[C@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1	ZINC000033183605	436250994	/nfs/dbraw/zinc/25/09/94/436250994.db2.gz	SAWYORIHUPZYPL-IUCAKERBSA-N	-1	3	344.209	0.994	50	0		ECAAHM
C[C@@H]1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C[C@H](C)O1	ZINC000045857138	436378713	/nfs/dbraw/zinc/37/87/13/436378713.db2.gz	SZJIWUXEIUWTRZ-TXEJJXNPSA-N	-1	3	343.383	0.894	50	0		ECAAHM
CC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1N1CCOCC1	ZINC000089948593	436423824	/nfs/dbraw/zinc/42/38/24/436423824.db2.gz	FFJJQNCULMPJJS-ZBFHGGJFSA-N	-1	3	348.447	0.498	50	0		ECAAHM
CCOC(=O)N1CCN(C(=O)c2ccccc2-c2nnn[n-]2)CC1	ZINC000096153868	436517577	/nfs/dbraw/zinc/51/75/77/436517577.db2.gz	CJLYNLLEHQFHPM-UHFFFAOYSA-N	-1	3	330.348	0.781	50	0		ECAAHM
CCOC(=O)N1CCN(C(=O)c2ccccc2-c2nn[n-]n2)CC1	ZINC000096153868	436517581	/nfs/dbraw/zinc/51/75/81/436517581.db2.gz	CJLYNLLEHQFHPM-UHFFFAOYSA-N	-1	3	330.348	0.781	50	0		ECAAHM
CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000095941941	436499558	/nfs/dbraw/zinc/49/95/58/436499558.db2.gz	PAOPVNRCYQCZQR-LBPRGKRZSA-N	-1	3	336.797	0.469	50	0		ECAAHM
Cc1cc(N2CCN(C(=O)c3ccc[nH]3)C[C@@H](C(=O)[O-])C2)nc(N)n1	ZINC000097155651	436539500	/nfs/dbraw/zinc/53/95/00/436539500.db2.gz	AOZAIRSHFDPJSZ-NSHDSACASA-N	-1	3	344.375	0.359	50	0		ECAAHM
CCCC(=O)NC1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000065406083	436659125	/nfs/dbraw/zinc/65/91/25/436659125.db2.gz	HRFNQRZHBVVUSE-UHFFFAOYSA-N	-1	3	332.408	0.950	50	0		ECAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)NCCc1noc(C2CCCC2)n1	ZINC000215691228	436696285	/nfs/dbraw/zinc/69/62/85/436696285.db2.gz	MDCVZNPEIXBCED-UHFFFAOYSA-N	-1	3	333.348	0.005	50	0		ECAAHM
Cc1nn(CCC(=O)NCCNc2nc(C)cc(=O)[n-]2)c(C)c1C	ZINC000219887052	436696652	/nfs/dbraw/zinc/69/66/52/436696652.db2.gz	STMJOCVVEDTONZ-UHFFFAOYSA-N	-1	3	332.408	0.818	50	0		ECAAHM
Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCNC[C@H]1C	ZINC000125282578	436768149	/nfs/dbraw/zinc/76/81/49/436768149.db2.gz	IXHGHUWYTUFKME-GFCCVEGCSA-N	-1	3	341.415	0.893	50	0		ECAAHM
CC(C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000248023646	436799270	/nfs/dbraw/zinc/79/92/70/436799270.db2.gz	KOYHYIXVOFGDGD-CYDGBPFRSA-N	-1	3	327.425	0.482	50	0		ECAAHM
CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1=O	ZINC000299749655	437111168	/nfs/dbraw/zinc/11/11/68/437111168.db2.gz	LEYWQPZXSKCWGA-KCQAQPDRSA-N	-1	3	339.436	0.545	50	0		ECAAHM
C[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)N1CCN(C)CC1	ZINC000426383089	438057792	/nfs/dbraw/zinc/05/77/92/438057792.db2.gz	HOISCAUUAWOCKP-LBPRGKRZSA-N	-1	3	329.408	0.119	50	0		ECAAHM
C[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)N1CCN(C)CC1	ZINC000426383089	438057795	/nfs/dbraw/zinc/05/77/95/438057795.db2.gz	HOISCAUUAWOCKP-LBPRGKRZSA-N	-1	3	329.408	0.119	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H](C)C(=O)[O-])CC1=O	ZINC000377118564	438301938	/nfs/dbraw/zinc/30/19/38/438301938.db2.gz	DNAUKOFEQLTDIK-FRRDWIJNSA-N	-1	3	325.409	0.251	50	0		ECAAHM
C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCC[C@H]1Cn1cncn1	ZINC000588079239	438816089	/nfs/dbraw/zinc/81/60/89/438816089.db2.gz	JVJKOSUHQNTFAO-HIFRSBDPSA-N	-1	3	343.435	0.971	50	0		ECAAHM
COCCN1CCN(CC(=O)N=c2cc[n-]n2[C@@H](C)C2CC2)CC1	ZINC000588080380	438817943	/nfs/dbraw/zinc/81/79/43/438817943.db2.gz	LCUNPUAMMNBLMV-AWEZNQCLSA-N	-1	3	335.452	0.479	50	0		ECAAHM
CS(=O)(=O)NCC1CCN(C(=O)c2cccc3[n-]nnc32)CC1	ZINC000804327823	587082834	/nfs/dbraw/zinc/08/28/34/587082834.db2.gz	SKJHMHVAABJITQ-UHFFFAOYSA-N	-1	3	337.405	0.359	50	0		ECAAHM
CS(=O)(=O)NCC1CCN(C(=O)c2cccc3nn[n-]c32)CC1	ZINC000804327823	587082836	/nfs/dbraw/zinc/08/28/36/587082836.db2.gz	SKJHMHVAABJITQ-UHFFFAOYSA-N	-1	3	337.405	0.359	50	0		ECAAHM
CS(=O)(=O)NCC1CCN(C(=O)c2cccc3n[n-]nc32)CC1	ZINC000804327823	587082838	/nfs/dbraw/zinc/08/28/38/587082838.db2.gz	SKJHMHVAABJITQ-UHFFFAOYSA-N	-1	3	337.405	0.359	50	0		ECAAHM
CCOC(=O)CCS(=O)(=O)[N-]Cc1noc(-c2ccco2)n1	ZINC000952991821	611318154	/nfs/dbraw/zinc/31/81/54/611318154.db2.gz	POHIFNJCCGUCMU-UHFFFAOYSA-N	-1	3	329.334	0.702	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCC(NC(=O)C3CC3)CC1)[n-]c2=O	ZINC000054418257	214237507	/nfs/dbraw/zinc/23/75/07/214237507.db2.gz	NXAIRKZJYAOQAZ-UHFFFAOYSA-N	-1	3	330.392	0.560	50	0		ECAAHM
CN(C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H]1CCOC1)C2	ZINC000067774703	215209551	/nfs/dbraw/zinc/20/95/51/215209551.db2.gz	KYFMPUFQHBNFTH-LLVKDONJSA-N	-1	3	336.392	0.064	50	0		ECAAHM
CN(C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H]1CCCO1)C2	ZINC000067935211	215253987	/nfs/dbraw/zinc/25/39/87/215253987.db2.gz	KBWNSFVHNKYGLU-CYBMUJFWSA-N	-1	3	336.392	0.207	50	0		ECAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1	ZINC000040481195	213315939	/nfs/dbraw/zinc/31/59/39/213315939.db2.gz	DNOMNSMLVIVQEO-UHFFFAOYSA-N	-1	3	327.337	0.188	50	0		ECAAHM
CS(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccc3n[n-]nc3c2)C1	ZINC000243893359	243028762	/nfs/dbraw/zinc/02/87/62/243028762.db2.gz	AQHCXFCFRHFLJV-JTQLQIEISA-N	-1	3	337.405	0.359	50	0		ECAAHM
Cn1cc(C(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)c(=O)[n-]c1=O	ZINC000091526632	218018262	/nfs/dbraw/zinc/01/82/62/218018262.db2.gz	BLMXMVALLJPSPB-CQSZACIVSA-N	-1	3	343.383	0.271	50	0		ECAAHM
Cc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)c(=O)[n-]1	ZINC000091593447	218028490	/nfs/dbraw/zinc/02/84/90/218028490.db2.gz	XUMIWDSNUXCQMR-UONOGXRCSA-N	-1	3	344.415	0.941	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1coc(-c2ccccc2)n1	ZINC000091997243	218100758	/nfs/dbraw/zinc/10/07/58/218100758.db2.gz	RPEOWZNKUYHPIC-GFCCVEGCSA-N	-1	3	328.328	0.946	50	0		ECAAHM
O=C(COc1ccccc1Br)Nc1c[nH]c(=O)[n-]c1=O	ZINC000008906973	211017030	/nfs/dbraw/zinc/01/70/30/211017030.db2.gz	UDXHUPMWTWJCKA-UHFFFAOYSA-N	-1	3	340.133	0.843	50	0		ECAAHM
CCNC(=S)NN=c1nc(N2CCCC2)nc(N2CCCC2)[n-]1	ZINC000004941992	210333014	/nfs/dbraw/zinc/33/30/14/210333014.db2.gz	NEUGALBVVWJOMM-UHFFFAOYSA-N	-1	3	336.469	0.883	50	0		ECAAHM
CN1CCCN(CC(=O)NCCOc2cccc(C(=O)[O-])c2)CC1	ZINC000299771444	258083649	/nfs/dbraw/zinc/08/36/49/258083649.db2.gz	XEOUPMIREKILNG-UHFFFAOYSA-N	-1	3	335.404	0.517	50	0		ECAAHM
COc1cccc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)c1[O-]	ZINC000299756280	258074616	/nfs/dbraw/zinc/07/46/16/258074616.db2.gz	KVGKDYDAHVSLSL-QWHCGFSZSA-N	-1	3	330.344	0.978	50	0		ECAAHM
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000002391110	287715301	/nfs/dbraw/zinc/71/53/01/287715301.db2.gz	JNTMAZFVYNDPLB-HPCHECBXSA-N	-1	3	341.452	0.966	50	0		ECAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(F)ccc1N(C)C2=O	ZINC000000523806	277023775	/nfs/dbraw/zinc/02/37/75/277023775.db2.gz	WDWUSCVUHACMJC-CQSZACIVSA-N	-1	3	336.348	0.957	50	0		ECAAHM
Cc1ccc2c(c1)N(S(=O)(=O)c1c(C)[nH]c(=O)[n-]c1=O)CCO2	ZINC000020489285	281078382	/nfs/dbraw/zinc/07/83/82/281078382.db2.gz	SBLZRJZVRMIYKC-UHFFFAOYSA-N	-1	3	337.357	0.268	50	0		ECAAHM
COc1ccc2c(c1)[C@]1(SC([N-]C(C)=O)=NN1C(C)=O)C(=O)N2C	ZINC000000527195	295276776	/nfs/dbraw/zinc/27/67/76/295276776.db2.gz	QXOSOOWNZWNZSZ-HNNXBMFYSA-N	-1	3	348.384	0.827	50	0		ECAAHM
O=C([O-])[C@H](CC(=O)NCc1ccccc1)CN1CCN(CCO)CC1	ZINC000071280518	436006746	/nfs/dbraw/zinc/00/67/46/436006746.db2.gz	IEGSSTGEVURIDG-MRXNPFEDSA-N	-1	3	349.431	0.004	50	0		ECAAHM
O=C(CCn1c(=O)[nH]c2ccccc21)N1CCc2c(=O)[n-]cnc2C1	ZINC000071762914	436008877	/nfs/dbraw/zinc/00/88/77/436008877.db2.gz	GLRXXCKROXLWDP-UHFFFAOYSA-N	-1	3	339.355	0.388	50	0		ECAAHM
Nc1nc2c(c(=O)[n-]1)CCN(C(=O)c1cc3ccccc3[nH]c1=O)C2	ZINC000071762925	436011615	/nfs/dbraw/zinc/01/16/15/436011615.db2.gz	JZDNVYXDRQTOAW-UHFFFAOYSA-N	-1	3	337.339	0.392	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc[nH]c2=O)s1	ZINC000071800159	436014527	/nfs/dbraw/zinc/01/45/27/436014527.db2.gz	OCATUBICWBMNMU-UHFFFAOYSA-N	-1	3	327.387	0.275	50	0		ECAAHM
CN1CCN(c2nc(CSc3nnc(N)s3)cc(=O)[n-]2)CC1	ZINC000009196347	436033034	/nfs/dbraw/zinc/03/30/34/436033034.db2.gz	XZWZAAQEQLYNIY-UHFFFAOYSA-N	-1	3	339.450	0.248	50	0		ECAAHM
Cn1c(=O)c2c([O-])c(Cc3ccccc3)c(=O)n(C)c2n(C)c1=O	ZINC000015923684	436086468	/nfs/dbraw/zinc/08/64/68/436086468.db2.gz	LLLBPTIPSKNNDO-UHFFFAOYSA-N	-1	3	327.340	0.232	50	0		ECAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CCC[C@H](C(=O)c2ccccc2)C1	ZINC000077458353	436238411	/nfs/dbraw/zinc/23/84/11/436238411.db2.gz	VAOZZOWCRFWERQ-ZDUSSCGKSA-N	-1	3	341.367	0.727	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCN(c2ccc(F)cc2)CC1	ZINC000077505581	436239865	/nfs/dbraw/zinc/23/98/65/436239865.db2.gz	UZZGDDGJXAZOJM-ZDUSSCGKSA-N	-1	3	334.351	0.463	50	0		ECAAHM
Cc1ncc(CC(=O)N2CCC(CCN3CCCC3=O)CC2)c(=O)[n-]1	ZINC000077487671	436240135	/nfs/dbraw/zinc/24/01/35/436240135.db2.gz	LVQYQYMUACNFOV-UHFFFAOYSA-N	-1	3	346.431	0.872	50	0		ECAAHM
COc1cc(S(=O)(=O)[N-]CCO)c(OC)cc1Br	ZINC000041096064	436269044	/nfs/dbraw/zinc/26/90/44/436269044.db2.gz	IQXYVNABLBAOTD-UHFFFAOYSA-N	-1	3	340.195	0.737	50	0		ECAAHM
COc1ccc2[n-]cc(C(=O)N3CCC(C(N)=O)CC3)c(=O)c2c1	ZINC000044921312	436354120	/nfs/dbraw/zinc/35/41/20/436354120.db2.gz	DQGYOBFQDNTIQS-UHFFFAOYSA-N	-1	3	329.356	0.874	50	0		ECAAHM
Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(C)C[C@H]1C	ZINC000089499572	436411754	/nfs/dbraw/zinc/41/17/54/436411754.db2.gz	PMKOZRAFMIOBOH-GFCCVEGCSA-N	-1	3	341.415	0.845	50	0		ECAAHM
C[C@@H](CCO)C[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2	ZINC000089895574	436420055	/nfs/dbraw/zinc/42/00/55/436420055.db2.gz	BIRUGJXZXNETRE-QMMMGPOBSA-N	-1	3	348.808	0.968	50	0		ECAAHM
COc1ccc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1	ZINC000058298197	436623568	/nfs/dbraw/zinc/62/35/68/436623568.db2.gz	IUWIDHIYAIVONK-JTQLQIEISA-N	-1	3	328.390	0.555	50	0		ECAAHM
CSc1ncccc1C(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000219818993	436696731	/nfs/dbraw/zinc/69/67/31/436696731.db2.gz	NNNGPXMYWLIKMP-UHFFFAOYSA-N	-1	3	346.416	0.431	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCN(C(=O)CC(C)(C)C)CC1)[n-]c2=O	ZINC000065437040	436662072	/nfs/dbraw/zinc/66/20/72/436662072.db2.gz	OBFFKSAQBPQDEU-UHFFFAOYSA-N	-1	3	346.435	0.737	50	0		ECAAHM
CCOc1ccc(-c2noc(C[N-]S(=O)(=O)N(C)C)n2)cn1	ZINC000238837135	436756537	/nfs/dbraw/zinc/75/65/37/436756537.db2.gz	GZDILDAOWUKUQZ-UHFFFAOYSA-N	-1	3	327.366	0.426	50	0		ECAAHM
CC[C@@H](COC)NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067541404	436716472	/nfs/dbraw/zinc/71/64/72/436716472.db2.gz	XXJYKJHHKNSYAE-QMMMGPOBSA-N	-1	3	348.446	0.795	50	0		ECAAHM
Cc1ccc([C@@H](O)Cc2nc3c(=O)[nH]c(=O)n(C)c3[n-]c2=O)cc1	ZINC000253536370	436848467	/nfs/dbraw/zinc/84/84/67/436848467.db2.gz	XRIAZFVPHSVWOI-NSHDSACASA-N	-1	3	328.328	0.719	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCN(C[C@H](C)O)[C@@H](CC)C1	ZINC000252504996	436835908	/nfs/dbraw/zinc/83/59/08/436835908.db2.gz	HPGWGIGEDIPEDL-GJZGRUSLSA-N	-1	3	337.468	0.431	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]Cc2nc(C3CCSCC3)no2)c1	ZINC000575608594	438750956	/nfs/dbraw/zinc/75/09/56/438750956.db2.gz	UWYGPXVKTKYNNB-UHFFFAOYSA-N	-1	3	343.434	0.892	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CNC[C@H]1CCCN1c1cccnn1	ZINC000588084844	438818473	/nfs/dbraw/zinc/81/84/73/438818473.db2.gz	MDKZGKORTONQEC-CQSZACIVSA-N	-1	3	343.435	0.702	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)NC[C@@H](c1cccnc1)N1CCCCC1	ZINC000584885108	439624256	/nfs/dbraw/zinc/62/42/56/439624256.db2.gz	JQZWONILKKEHMP-AWEZNQCLSA-N	-1	3	345.403	0.277	50	0		ECAAHM
COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1	ZINC000004270168	210156745	/nfs/dbraw/zinc/15/67/45/210156745.db2.gz	VMQJGBSIBTZLSO-UHFFFAOYSA-N	-1	3	339.373	0.202	50	0		ECAAHM
CN1[C@@H](c2cccc(F)c2F)[C@@H](C(=O)NCCO)C[C@H]1C(=O)[O-]	ZINC000067966696	215262439	/nfs/dbraw/zinc/26/24/39/215262439.db2.gz	SVWUEYYFXWRXKH-GAFUQQFSSA-N	-1	3	328.315	0.519	50	0		ECAAHM
COc1cccc(OCC(=O)N2CCc3c(nc(N)[n-]c3=O)C2)c1	ZINC000071763258	215819247	/nfs/dbraw/zinc/81/92/47/215819247.db2.gz	DDOQSAFTNUZUSY-UHFFFAOYSA-N	-1	3	330.344	0.324	50	0		ECAAHM
O=C(c1ccccc1-c1nnn[n-]1)N1CCC[C@@]2(CNC(=O)O2)C1	ZINC000072170209	216062637	/nfs/dbraw/zinc/06/26/37/216062637.db2.gz	PVZRTKDPHKXKKF-OAHLLOKOSA-N	-1	3	328.332	0.581	50	0		ECAAHM
O=C(c1ccccc1-c1nn[n-]n1)N1CCC[C@@]2(CNC(=O)O2)C1	ZINC000072170209	216062640	/nfs/dbraw/zinc/06/26/40/216062640.db2.gz	PVZRTKDPHKXKKF-OAHLLOKOSA-N	-1	3	328.332	0.581	50	0		ECAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CCCN(Cc2cccs2)CC1	ZINC000072473699	216249869	/nfs/dbraw/zinc/24/98/69/216249869.db2.gz	DFSQCKSBMYLLSO-UHFFFAOYSA-N	-1	3	334.401	0.473	50	0		ECAAHM
CN(Cc1nnc(-c2ccccc2)o1)C(=O)Cc1cc(=O)[n-]c(N)n1	ZINC000216258043	241177785	/nfs/dbraw/zinc/17/77/85/241177785.db2.gz	CQFHVGBRFIBBBB-UHFFFAOYSA-N	-1	3	340.343	0.603	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cn1C	ZINC000230064369	242227563	/nfs/dbraw/zinc/22/75/63/242227563.db2.gz	XBWIXMGZKDGVIA-NQBHXWOUSA-N	-1	3	342.465	0.948	50	0		ECAAHM
Cc1c([O-])nc(CCNC(=O)c2ccncc2C(F)(F)F)[nH]c1=O	ZINC000241897396	243005792	/nfs/dbraw/zinc/00/57/92/243005792.db2.gz	TYJFPIFHWDBJQR-UHFFFAOYSA-N	-1	3	342.277	0.911	50	0		ECAAHM
CCCn1c(=O)[n-]c(=O)c2cc(C(=O)OC[C@@H]3CCCO3)cnc21	ZINC000078411150	217050245	/nfs/dbraw/zinc/05/02/45/217050245.db2.gz	XVEZOBBVNDWOKX-NSHDSACASA-N	-1	3	333.344	0.831	50	0		ECAAHM
CC(C)N1C[C@H](C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)CC1=O	ZINC000078914755	217147188	/nfs/dbraw/zinc/14/71/88/217147188.db2.gz	BNEUWCFKSYTWTL-SECBINFHSA-N	-1	3	330.344	0.824	50	0		ECAAHM
CC(C)N1C[C@H](C(=O)Nc2cccc3c(=O)[n-][nH]c(=O)c23)CC1=O	ZINC000078914755	217147190	/nfs/dbraw/zinc/14/71/90/217147190.db2.gz	BNEUWCFKSYTWTL-SECBINFHSA-N	-1	3	330.344	0.824	50	0		ECAAHM
Cc1ncc(CC(=O)N2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)c(=O)[n-]1	ZINC000091603297	218030095	/nfs/dbraw/zinc/03/00/95/218030095.db2.gz	YRTJAJAKVBHPHK-ZDUSSCGKSA-N	-1	3	348.403	0.018	50	0		ECAAHM
Cc1ncc(CC(=O)N2CCC3(C[C@@H](C(=O)[O-])[N@@H+](C)C3)CC2)c(=O)[n-]1	ZINC000091603297	218030097	/nfs/dbraw/zinc/03/00/97/218030097.db2.gz	YRTJAJAKVBHPHK-ZDUSSCGKSA-N	-1	3	348.403	0.018	50	0		ECAAHM
Cc1cc(C[C@@H](C)NC(=O)c2cnc(Cn3cncn3)[n-]c2=O)n[nH]1	ZINC000091691300	218048579	/nfs/dbraw/zinc/04/85/79/218048579.db2.gz	RUKURNIJNDEBQS-SECBINFHSA-N	-1	3	342.363	0.215	50	0		ECAAHM
CCOCCC(=O)N[C@H]1CN(Cc2cc(=O)[n-]c(C)n2)C[C@@H]1C1CC1	ZINC000091847996	218076310	/nfs/dbraw/zinc/07/63/10/218076310.db2.gz	MXQWUDDPQMIEFR-CVEARBPZSA-N	-1	3	348.447	0.832	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1cnn(-c2cccc(F)c2)c1	ZINC000091871517	218081376	/nfs/dbraw/zinc/08/13/76/218081376.db2.gz	QSYDBOKMZISULQ-ZDUSSCGKSA-N	-1	3	345.334	0.616	50	0		ECAAHM
COc1ccccc1NC(=O)[C@H](C)OC(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000008851098	211010139	/nfs/dbraw/zinc/01/01/39/211010139.db2.gz	CGNZQORDPLWFIF-GXSJLCMTSA-N	-1	3	349.343	0.554	50	0		ECAAHM
CN(C)C(=O)C1(CNC(=O)c2cnc3c(cnn3C)c2[O-])CCCC1	ZINC000095456903	218399165	/nfs/dbraw/zinc/39/91/65/218399165.db2.gz	SQISNDWBWLLGMI-UHFFFAOYSA-N	-1	3	345.403	0.640	50	0		ECAAHM
C[C@@H](CCNC(=O)c1cnc(C2CC2)[n-]c1=O)N1CCN(C)CC1	ZINC000097334282	219012836	/nfs/dbraw/zinc/01/28/36/219012836.db2.gz	JLDXISVTAWULFD-LBPRGKRZSA-N	-1	3	333.436	0.403	50	0		ECAAHM
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccnc2ccnn21	ZINC000122929018	222184272	/nfs/dbraw/zinc/18/42/72/222184272.db2.gz	NMCZGHPGXVXGCF-LLVKDONJSA-N	-1	3	325.394	0.632	50	0		ECAAHM
CN1CCN(C[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)[O-])CC1	ZINC000072403869	290045940	/nfs/dbraw/zinc/04/59/40/290045940.db2.gz	WOWOWSNZXGRNBD-LBPRGKRZSA-N	-1	3	349.387	0.692	50	0		ECAAHM
CN(CC(=O)NC1CC1)C(=O)COC(=O)c1ccc(Cl)cc1[O-]	ZINC000007179780	436007753	/nfs/dbraw/zinc/00/77/53/436007753.db2.gz	LDXWPOAFSKZWEK-UHFFFAOYSA-N	-1	3	340.763	0.939	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC2(CC1)C(=O)Nc1ccccc12	ZINC000072144996	436033085	/nfs/dbraw/zinc/03/30/85/436033085.db2.gz	DLRFGWABXUOYOI-LBPRGKRZSA-N	-1	3	342.355	0.097	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000012594077	436049703	/nfs/dbraw/zinc/04/97/03/436049703.db2.gz	TTYLTEHCSWCEJF-LBPRGKRZSA-N	-1	3	330.344	0.506	50	0		ECAAHM
CS(=O)(=O)[N-]c1cnc(N2CCN(c3ccccn3)CC2)nc1	ZINC000075162140	436155706	/nfs/dbraw/zinc/15/57/06/436155706.db2.gz	MKXIUYZPTRJZAY-UHFFFAOYSA-N	-1	3	334.405	0.570	50	0		ECAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NCCOC)cc(C3CC3)nc21	ZINC000032031877	436235220	/nfs/dbraw/zinc/23/52/20/436235220.db2.gz	HMILGSZJYUHMOA-UHFFFAOYSA-N	-1	3	332.360	0.358	50	0		ECAAHM
Cc1cccc(N2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)c1C	ZINC000030635250	436220292	/nfs/dbraw/zinc/22/02/92/436220292.db2.gz	JKABNMSKAMUSJU-ZDUSSCGKSA-N	-1	3	330.388	0.550	50	0		ECAAHM
C[C@@H]1CCC[C@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1	ZINC000033183604	436250735	/nfs/dbraw/zinc/25/07/35/436250735.db2.gz	SAWYORIHUPZYPL-BDAKNGLRSA-N	-1	3	344.209	0.994	50	0		ECAAHM
Nc1nn2c([n-]1)nc(CSc1nncn1Cc1ccco1)cc2=O	ZINC000103772684	436555985	/nfs/dbraw/zinc/55/59/85/436555985.db2.gz	XEYKXCYFLIRXBT-UHFFFAOYSA-N	-1	3	344.360	0.525	50	0		ECAAHM
C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)C[C@H](c2ccccc2)O1	ZINC000107493649	436611354	/nfs/dbraw/zinc/61/13/54/436611354.db2.gz	KWCBECJWPBBYRM-KWCYVHTRSA-N	-1	3	331.372	0.963	50	0		ECAAHM
Nc1cc(=O)[n-]c(CCNC(=O)c2ccccc2N2CCOCC2)n1	ZINC000220065302	436697173	/nfs/dbraw/zinc/69/71/73/436697173.db2.gz	LRFWVUOFIOFKMW-UHFFFAOYSA-N	-1	3	343.387	0.574	50	0		ECAAHM
O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1c[nH]c(=O)[n-]c1=O	ZINC000223483091	436706845	/nfs/dbraw/zinc/70/68/45/436706845.db2.gz	ORYRZGUVBSQIFV-ZIAGYGMSSA-N	-1	3	345.355	0.167	50	0		ECAAHM
O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](n2c([O-])coc2=O)C1	ZINC000225700171	436712701	/nfs/dbraw/zinc/71/27/01/436712701.db2.gz	ZMCGBSYGGRLICH-JTQLQIEISA-N	-1	3	345.311	0.174	50	0		ECAAHM
O=C(c1cc2ccccc2oc1=O)N1CC[C@H](n2c([O-])coc2=O)C1	ZINC000225700061	436713901	/nfs/dbraw/zinc/71/39/01/436713901.db2.gz	SKNZPSLAVUHLAT-NSHDSACASA-N	-1	3	342.307	0.986	50	0		ECAAHM
CC(C)n1cnc(S(=O)(=O)[N-]CC(=O)Nc2ccn(C)n2)c1	ZINC000225657464	436713917	/nfs/dbraw/zinc/71/39/17/436713917.db2.gz	LBDLUBWEQFDMPI-UHFFFAOYSA-N	-1	3	326.382	0.115	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCn1ccc(-c2cnccn2)n1	ZINC000238895938	436758255	/nfs/dbraw/zinc/75/82/55/436758255.db2.gz	RAMDEIUVVTUNFA-UHFFFAOYSA-N	-1	3	348.388	0.923	50	0		ECAAHM
Cn1c(=O)[nH]c(=O)c2nc(C[C@@H](O)c3ccc(F)cc3)c(=O)[n-]c21	ZINC000241644305	436759896	/nfs/dbraw/zinc/75/98/96/436759896.db2.gz	PPVYCAGGOGBATF-SNVBAGLBSA-N	-1	3	332.291	0.550	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1c2ccccc2C[C@H]1C(N)=O	ZINC000253497190	436848623	/nfs/dbraw/zinc/84/86/23/436848623.db2.gz	YFQIGFMRMBKURK-AWEZNQCLSA-N	-1	3	327.388	0.570	50	0		ECAAHM
O=C(NCc1ccco1)[C@H]1CCCN1c1nc2nncc-2c(O)[n-]1	ZINC000134901199	436907335	/nfs/dbraw/zinc/90/73/35/436907335.db2.gz	NSMLZKPITGIQAQ-LLVKDONJSA-N	-1	3	328.332	0.524	50	0		ECAAHM
C[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)N1CCN(C)CC1	ZINC000426383088	438056293	/nfs/dbraw/zinc/05/62/93/438056293.db2.gz	HOISCAUUAWOCKP-GFCCVEGCSA-N	-1	3	329.408	0.119	50	0		ECAAHM
C[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)N1CCN(C)CC1	ZINC000426383088	438056298	/nfs/dbraw/zinc/05/62/98/438056298.db2.gz	HOISCAUUAWOCKP-GFCCVEGCSA-N	-1	3	329.408	0.119	50	0		ECAAHM
Cc1c([C@H](C)NC(=O)NCCNc2nc(C)cc(=O)[n-]2)cnn1C	ZINC000426392640	438057953	/nfs/dbraw/zinc/05/79/53/438057953.db2.gz	AZAAVDYLQMFYDO-JTQLQIEISA-N	-1	3	333.396	1.005	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](OC)C2CC2)cn1	ZINC000408520767	438581296	/nfs/dbraw/zinc/58/12/96/438581296.db2.gz	WCNCXUIARQRCDO-ZANVPECISA-N	-1	3	327.406	0.533	50	0		ECAAHM
COc1cccc(S(=O)(=O)N2CC(Cn3c([O-])coc3=O)C2)c1	ZINC000575616351	438751755	/nfs/dbraw/zinc/75/17/55/438751755.db2.gz	LNVGQAAPGXYGKU-UHFFFAOYSA-N	-1	3	340.357	0.295	50	0		ECAAHM
C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCC[C@H]1Cn1cncn1	ZINC000588079241	438816438	/nfs/dbraw/zinc/81/64/38/438816438.db2.gz	JVJKOSUHQNTFAO-ZFWWWQNUSA-N	-1	3	343.435	0.971	50	0		ECAAHM
CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cnnn1-c1ccccc1	ZINC000583651521	439495610	/nfs/dbraw/zinc/49/56/10/439495610.db2.gz	NUGCMCQEXYTVBU-PWSUYJOCSA-N	-1	3	342.446	0.658	50	0		ECAAHM
CS(=O)(=O)N1CC(CO[N-]C(=O)CCCc2ccccc2)C1	ZINC000874435263	590239890	/nfs/dbraw/zinc/23/98/90/590239890.db2.gz	PWVPVTDLVRUOTA-UHFFFAOYSA-N	-1	3	326.418	0.949	50	0		ECAAHM
O=C(Cc1ccccc1)N1CCN(c2cc(=O)[n-]cn2)C[C@H](O)C1	ZINC000097730015	219051515	/nfs/dbraw/zinc/05/15/15/219051515.db2.gz	OKZKRRQDECPWKF-AWEZNQCLSA-N	-1	3	328.372	0.022	50	0		ECAAHM
O=C([O-])CN1CCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C[C@H](O)C1	ZINC000097757765	219054967	/nfs/dbraw/zinc/05/49/67/219054967.db2.gz	NGSZZYTZLDAWAL-CQSZACIVSA-N	-1	3	344.371	0.280	50	0		ECAAHM
CCn1cnnc1C[N-]S(=O)(=O)c1cc(OC)ccc1OC	ZINC000056066605	214356003	/nfs/dbraw/zinc/35/60/03/214356003.db2.gz	KKFVSGVKWCEWKO-UHFFFAOYSA-N	-1	3	326.378	0.794	50	0		ECAAHM
O=C(CS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000004496377	210203622	/nfs/dbraw/zinc/20/36/22/210203622.db2.gz	JJYQFQBTQIJVDK-UHFFFAOYSA-N	-1	3	344.348	0.983	50	0		ECAAHM
CCOC(=O)C(Sc1nc2nncc-2c(O)[n-]1)C(=O)OCC	ZINC000004249731	210152269	/nfs/dbraw/zinc/15/22/69/210152269.db2.gz	WQXRPXBXYXETHE-UHFFFAOYSA-N	-1	3	326.334	0.645	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)NC[C@@H]1CCCO1)CNCC2	ZINC000067695686	215188180	/nfs/dbraw/zinc/18/81/80/215188180.db2.gz	DICBJEJZGCKUDM-QMMMGPOBSA-N	-1	3	346.430	0.549	50	0		ECAAHM
Cn1ncc(N2CC[C@H](CNC(=O)c3ccccc3[O-])C2)cc1=O	ZINC000072143950	216028538	/nfs/dbraw/zinc/02/85/38/216028538.db2.gz	GHYADUYJGAMCGA-GFCCVEGCSA-N	-1	3	328.372	0.742	50	0		ECAAHM
O=C(NCc1nn[n-]n1)[C@@H]1CN(CCCc2ccccc2)CCO1	ZINC000072428971	216220727	/nfs/dbraw/zinc/22/07/27/216220727.db2.gz	WJZSYUPKYJCXNT-AWEZNQCLSA-N	-1	3	330.392	0.150	50	0		ECAAHM
CC(=O)C1(c2ccccc2)CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1	ZINC000072457635	216241946	/nfs/dbraw/zinc/24/19/46/216241946.db2.gz	NOIIXVDVTPWXBS-AWEZNQCLSA-N	-1	3	343.383	0.734	50	0		ECAAHM
CC(C)N1CCO[C@@H](CC(=O)N2CCC(c3cc(=O)[n-]cn3)CC2)C1	ZINC000023431910	212376989	/nfs/dbraw/zinc/37/69/89/212376989.db2.gz	RKNWBZBWYGEKNY-HNNXBMFYSA-N	-1	3	348.447	0.975	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1csc(-c2cccnc2)n1	ZINC000216288263	241180104	/nfs/dbraw/zinc/18/01/04/241180104.db2.gz	MIYGHHDBNCYQJT-NSHDSACASA-N	-1	3	345.384	0.462	50	0		ECAAHM
Cn1cc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c(=O)[n-]c1=O	ZINC000216428199	241190968	/nfs/dbraw/zinc/19/09/68/241190968.db2.gz	WLOCYTUQRIXVEO-AWEZNQCLSA-N	-1	3	339.355	0.441	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@@H]2CCCCN2C(=O)C2CC2)n1	ZINC000219374322	241381532	/nfs/dbraw/zinc/38/15/32/241381532.db2.gz	IJQPKAILUOFRHF-ZDUSSCGKSA-N	-1	3	347.419	0.398	50	0		ECAAHM
COC[C@H](NC(=O)c1cc(CC(C)C)nc(=O)[n-]1)c1ccnn1C	ZINC000223745226	241688442	/nfs/dbraw/zinc/68/84/42/241688442.db2.gz	IDZWPBPTJXAKTC-ZDUSSCGKSA-N	-1	3	333.392	0.819	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c(=O)[n-]1	ZINC000253535012	244005677	/nfs/dbraw/zinc/00/56/77/244005677.db2.gz	CZLIAQXQHRFXER-GHJWDPDVSA-N	-1	3	345.403	0.703	50	0		ECAAHM
Cc1nc([C@@H]2CCCN(C(=O)CCc3nncn3C)C2)cc(=O)[n-]1	ZINC000091746460	218058252	/nfs/dbraw/zinc/05/82/52/218058252.db2.gz	SHXBNYBDKHHJMC-GFCCVEGCSA-N	-1	3	330.392	0.546	50	0		ECAAHM
Nc1nccnc1C(=O)OCC(=O)[N-]C(=O)OCc1ccccc1	ZINC000009498617	211092113	/nfs/dbraw/zinc/09/21/13/211092113.db2.gz	BTTNTZWZAMUGJX-UHFFFAOYSA-N	-1	3	330.300	0.669	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]2C(=O)[O-])CC1=O	ZINC000262692472	285255422	/nfs/dbraw/zinc/25/54/22/285255422.db2.gz	GRXLBYMBDBBBCD-MGPQQGTHSA-N	-1	3	337.420	0.395	50	0		ECAAHM
O=C(COC[C@@H]1CCCO1)NCCn1[n-]c(=O)c2ccccc2c1=O	ZINC000299788736	258095012	/nfs/dbraw/zinc/09/50/12/258095012.db2.gz	XPNHGHQVHXOROW-LBPRGKRZSA-N	-1	3	347.371	0.002	50	0		ECAAHM
COCCn1cnnc1CNC(=O)c1cc(CC(C)C)nc(=O)[n-]1	ZINC000299760613	258078106	/nfs/dbraw/zinc/07/81/06/258078106.db2.gz	INMRFVMPPWCCGC-UHFFFAOYSA-N	-1	3	334.380	0.549	50	0		ECAAHM
CNS(=O)(=O)CC(=O)Nc1c(C)c(Br)ccc1[O-]	ZINC000296013238	265090582	/nfs/dbraw/zinc/09/05/82/265090582.db2.gz	KOZCIBVCKNVQFB-UHFFFAOYSA-N	-1	3	337.195	0.951	50	0		ECAAHM
CCN1CCN(c2nc(CSc3ncccn3)cc(=O)[n-]2)CC1	ZINC000008992653	436035112	/nfs/dbraw/zinc/03/51/12/436035112.db2.gz	JCURAMVYXUTLLB-UHFFFAOYSA-N	-1	3	332.433	0.994	50	0		ECAAHM
NS(=O)(=O)c1cccc(CNC(=O)c2ccc3n[n-]nc3c2)c1	ZINC000025271030	436148364	/nfs/dbraw/zinc/14/83/64/436148364.db2.gz	ZHMUOEUXLUHXKT-UHFFFAOYSA-N	-1	3	331.357	0.535	50	0		ECAAHM
COCCc1nnc([N-]C(=O)c2ccc(S(C)(=O)=O)cc2)o1	ZINC000075154683	436154625	/nfs/dbraw/zinc/15/46/25/436154625.db2.gz	KRJUPOXAZOPSNT-UHFFFAOYSA-N	-1	3	325.346	0.914	50	0		ECAAHM
CC(=O)OC1C(=O)N(c2ccc(C(=O)[O-])cc2)C(=O)[C@H]1OC(C)=O	ZINC000075279448	436158047	/nfs/dbraw/zinc/15/80/47/436158047.db2.gz	RSXUDAJGHOTNNC-RYUDHWBXSA-N	-1	3	335.268	0.121	50	0		ECAAHM
Cc1nnsc1C(=O)NCC[N-]S(=O)(=O)c1cccs1	ZINC000032502465	436240039	/nfs/dbraw/zinc/24/00/39/436240039.db2.gz	VZYLWXMUENWFKL-UHFFFAOYSA-N	-1	3	332.432	0.616	50	0		ECAAHM
COc1cccc2c(=O)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)c[n-]c12	ZINC000044904021	436352358	/nfs/dbraw/zinc/35/23/58/436352358.db2.gz	YJKMIMFLIJIUEA-SECBINFHSA-N	-1	3	336.369	0.454	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(OCc2ccccc2)CC1	ZINC000042848733	436318962	/nfs/dbraw/zinc/31/89/62/436318962.db2.gz	HULKNCBBKVOZKA-AWEZNQCLSA-N	-1	3	331.372	0.792	50	0		ECAAHM
Cc1cc(=O)[nH]c(NCCNC(=O)c2cnc(C(C)(C)C)[n-]c2=O)n1	ZINC000082108191	436361021	/nfs/dbraw/zinc/36/10/21/436361021.db2.gz	LCUMIJVAEDKCEH-UHFFFAOYSA-N	-1	3	346.391	0.301	50	0		ECAAHM
Cc1nc(C)c(CC(=O)NCc2cccnc2-n2cncn2)c(=O)[n-]1	ZINC000044943196	436355434	/nfs/dbraw/zinc/35/54/34/436355434.db2.gz	ZJWYVNCOFVXXRH-UHFFFAOYSA-N	-1	3	339.359	0.221	50	0		ECAAHM
C[C@H]1COCCN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000048356608	436450514	/nfs/dbraw/zinc/45/05/14/436450514.db2.gz	GSHQRPDSEDIUNE-NSHDSACASA-N	-1	3	329.356	0.505	50	0		ECAAHM
Cc1cccc(CS(=O)(=O)N2C[C@@H]3CN(C)C[C@]3(C(=O)[O-])C2)c1	ZINC000096140525	436516365	/nfs/dbraw/zinc/51/63/65/436516365.db2.gz	SVAXNGVAQNLSOT-HOCLYGCPSA-N	-1	3	338.429	0.773	50	0		ECAAHM
COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H]1CCS(=O)(=O)C1)c2=O	ZINC000058492559	436626607	/nfs/dbraw/zinc/62/66/07/436626607.db2.gz	CNKZZSHZKYJZGH-SECBINFHSA-N	-1	3	336.369	0.454	50	0		ECAAHM
CN1C[C@H]([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)C[C@H]1CO	ZINC000065398514	436657133	/nfs/dbraw/zinc/65/71/33/436657133.db2.gz	SFTIDPJEMSMXSL-ZJUUUORDSA-N	-1	3	343.430	0.746	50	0		ECAAHM
COC[C@@H]1[C@H](NC(=O)c2cc(C(C)(C)C)nc(=O)[n-]2)[C@@H]2CCO[C@H]12	ZINC000219812998	436698006	/nfs/dbraw/zinc/69/80/06/436698006.db2.gz	FFBOQINZYBSFIX-PJQZNRQZSA-N	-1	3	335.404	0.847	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCc2ncnc(OC)c2C1	ZINC000254518361	436849896	/nfs/dbraw/zinc/84/98/96/436849896.db2.gz	BGFYIWMYVWPQBO-UHFFFAOYSA-N	-1	3	330.392	0.510	50	0		ECAAHM
CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)N)CC1)C(=O)[O-]	ZINC000252460865	436830704	/nfs/dbraw/zinc/83/07/04/436830704.db2.gz	IQJRXFRWOGDJHL-LPWJVIDDSA-N	-1	3	327.425	0.482	50	0		ECAAHM
Cc1nc(C)c(CCC(=O)N2CC(=O)N(CC(F)(F)F)C2)c(=O)[n-]1	ZINC000330135178	437458388	/nfs/dbraw/zinc/45/83/88/437458388.db2.gz	MRWYMMSUHCGHHS-UHFFFAOYSA-N	-1	3	346.309	0.922	50	0		ECAAHM
O=C(Cn1cc(I)c(=O)[n-]c1=O)N1CCCC1	ZINC000408522211	438582408	/nfs/dbraw/zinc/58/24/08/438582408.db2.gz	FMMZRGGNZKEGCW-UHFFFAOYSA-N	-1	3	349.128	0.176	50	0		ECAAHM
COC(=O)CN1CCN(c2ccc(NC(=O)c3cnn[n-]3)cc2)CC1	ZINC000069570852	545678136	/nfs/dbraw/zinc/67/81/36/545678136.db2.gz	NOGZVBASIQGWFR-UHFFFAOYSA-N	-1	3	344.375	0.352	50	0		ECAAHM
COC(=O)CN1CCN(c2ccc(NC(=O)c3c[n-]nn3)cc2)CC1	ZINC000069570852	545678140	/nfs/dbraw/zinc/67/81/40/545678140.db2.gz	NOGZVBASIQGWFR-UHFFFAOYSA-N	-1	3	344.375	0.352	50	0		ECAAHM
COC(=O)CN1CCN(c2ccc(NC(=O)c3cn[n-]n3)cc2)CC1	ZINC000069570852	545678146	/nfs/dbraw/zinc/67/81/46/545678146.db2.gz	NOGZVBASIQGWFR-UHFFFAOYSA-N	-1	3	344.375	0.352	50	0		ECAAHM
Cc1cccc(N2CCN(CCC(=O)NCc3nnn[n-]3)CC2)c1	ZINC000095356343	545729316	/nfs/dbraw/zinc/72/93/16/545729316.db2.gz	XLTZODRSMTUFDD-UHFFFAOYSA-N	-1	3	329.408	0.337	50	0		ECAAHM
Cc1cccc(N2CCN(CCC(=O)NCc3nn[n-]n3)CC2)c1	ZINC000095356343	545729320	/nfs/dbraw/zinc/72/93/20/545729320.db2.gz	XLTZODRSMTUFDD-UHFFFAOYSA-N	-1	3	329.408	0.337	50	0		ECAAHM
O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cn[n-]n1	ZINC000054152238	608617132	/nfs/dbraw/zinc/61/71/32/608617132.db2.gz	JMRCQWHSMBTJPP-UHFFFAOYSA-N	-1	3	349.416	0.909	50	0		ECAAHM
Cc1csc(N2CCN(Cc3nc4c(cnn4C)c(=O)[n-]3)CC2)n1	ZINC000052827808	214148755	/nfs/dbraw/zinc/14/87/55/214148755.db2.gz	HWOGWJUKJQWCRV-UHFFFAOYSA-N	-1	3	345.432	0.744	50	0		ECAAHM
C[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)O[C@@H]1CCOC1=O	ZINC000056708531	214385427	/nfs/dbraw/zinc/38/54/27/214385427.db2.gz	HOQCNKKVOMNOER-RJSMLTLRSA-N	-1	3	339.369	0.824	50	0		ECAAHM
NC(=O)C1(N2CCCCC2)CCN(C(=O)CCCC(=O)[O-])CC1	ZINC000004593373	210229725	/nfs/dbraw/zinc/22/97/25/210229725.db2.gz	YTZVFPMJGRGMAE-UHFFFAOYSA-N	-1	3	325.409	0.574	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)N[C@@H]1CCOC1)CNCC2	ZINC000067514783	215156616	/nfs/dbraw/zinc/15/66/16/215156616.db2.gz	GKTQNQPQZAWZGL-SSDOTTSWSA-N	-1	3	332.403	0.159	50	0		ECAAHM
O=C(Cc1ccc([O-])c(Cl)c1)N1CCC2(CC1)NCCNC2=O	ZINC000067966282	215262932	/nfs/dbraw/zinc/26/29/32/215262932.db2.gz	VNIIHKDOJCYQRK-UHFFFAOYSA-N	-1	3	337.807	0.669	50	0		ECAAHM
CCCn1[n-]cc/c1=N\C(=O)CN1CCc2ncnc(OC)c2C1	ZINC000104171770	219354381	/nfs/dbraw/zinc/35/43/81/219354381.db2.gz	BGFYIWMYVWPQBO-XSFVSMFZSA-N	-1	3	330.392	0.510	50	0		ECAAHM
C[C@]1(c2cccc(NC(=O)Cn3ccccc3=O)c2)NC(=O)[N-]C1=O	ZINC000040111048	213267041	/nfs/dbraw/zinc/26/70/41/213267041.db2.gz	JAJQQZUAVINJMX-QGZVFWFLSA-N	-1	3	340.339	0.542	50	0		ECAAHM
CN1C[C@H](Nc2nccc(-c3cc(C(=O)[O-])ccn3)n2)C[C@H]1CO	ZINC000072411104	283247029	/nfs/dbraw/zinc/24/70/29/283247029.db2.gz	CRLZOVATPHZILD-NEPJUHHUSA-N	-1	3	329.360	0.714	50	0		ECAAHM
CCc1c(C)cc(C(=O)N2CCc3c(nc(C)[n-]c3=O)C2)c(=O)n1C	ZINC000072133648	216022191	/nfs/dbraw/zinc/02/21/91/216022191.db2.gz	IBAZGJBAXBSWSG-UHFFFAOYSA-N	-1	3	342.399	0.846	50	0		ECAAHM
O=c1[n-]cnc2c1CCN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2	ZINC000072153704	216042352	/nfs/dbraw/zinc/04/23/52/216042352.db2.gz	WWGAGYMTJZMWTG-UHFFFAOYSA-N	-1	3	349.368	0.288	50	0		ECAAHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCN(Cc3nccn3C)CC2)on1	ZINC000072267720	216087067	/nfs/dbraw/zinc/08/70/67/216087067.db2.gz	NBBQJFOILBMZRD-CYBMUJFWSA-N	-1	3	332.408	0.861	50	0		ECAAHM
COc1ccccc1OC1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1	ZINC000072463035	216245271	/nfs/dbraw/zinc/24/52/71/216245271.db2.gz	SUOXPOOZPZZWSG-UHFFFAOYSA-N	-1	3	347.371	0.617	50	0		ECAAHM
O=S(=O)([N-]Cc1nccc(N2CCOCC2)n1)c1cccs1	ZINC000211097306	241078919	/nfs/dbraw/zinc/07/89/19/241078919.db2.gz	UAICQTTVAIRZDP-UHFFFAOYSA-N	-1	3	340.430	0.853	50	0		ECAAHM
Cc1cc(C)n2c(nnc2C(=O)NCc2cccc(-c3nnn[n-]3)c2)n1	ZINC000218323031	241315418	/nfs/dbraw/zinc/31/54/18/241315418.db2.gz	MGOVIMAMPKYFND-UHFFFAOYSA-N	-1	3	349.358	0.851	50	0		ECAAHM
Cc1cc(C)n2c(nnc2C(=O)NCc2cccc(-c3nn[n-]n3)c2)n1	ZINC000218323031	241315423	/nfs/dbraw/zinc/31/54/23/241315423.db2.gz	MGOVIMAMPKYFND-UHFFFAOYSA-N	-1	3	349.358	0.851	50	0		ECAAHM
COc1ccc([C@H](O)Cc2nc3c(=O)[nH]c(=O)n(C)c3[n-]c2=O)cc1	ZINC000242339308	243019122	/nfs/dbraw/zinc/01/91/22/243019122.db2.gz	ZGSIPYJDNGHFLR-LLVKDONJSA-N	-1	3	344.327	0.419	50	0		ECAAHM
CS(=O)(=O)N1CCC[C@H](CNC(=O)c2ccc3n[n-]nc3c2)C1	ZINC000243893360	243031075	/nfs/dbraw/zinc/03/10/75/243031075.db2.gz	AQHCXFCFRHFLJV-SNVBAGLBSA-N	-1	3	337.405	0.359	50	0		ECAAHM
Nc1nc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc(=O)[n-]1	ZINC000253536014	244012754	/nfs/dbraw/zinc/01/27/54/244012754.db2.gz	CDEHPTCLMAHQPQ-UHFFFAOYSA-N	-1	3	346.366	0.664	50	0		ECAAHM
COc1ccccc1OCCN1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000253537058	244014962	/nfs/dbraw/zinc/01/49/62/244014962.db2.gz	WDRWPCQDWCMPLI-UHFFFAOYSA-N	-1	3	345.403	0.974	50	0		ECAAHM
COc1ccc(C)cc1NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000078743044	217112488	/nfs/dbraw/zinc/11/24/88/217112488.db2.gz	KFCMEGKKBWWWKC-UHFFFAOYSA-N	-1	3	338.389	0.654	50	0		ECAAHM
COc1ccc(CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)c(F)c1F	ZINC000091452705	218009117	/nfs/dbraw/zinc/00/91/17/218009117.db2.gz	PHFKSDVTERZBRS-QMMMGPOBSA-N	-1	3	327.287	0.578	50	0		ECAAHM
O=C(N[C@H]1CCc2n[nH]cc2C1)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000091713359	218053698	/nfs/dbraw/zinc/05/36/98/218053698.db2.gz	LVCXSPLYWUTXGZ-LBPRGKRZSA-N	-1	3	339.355	0.753	50	0		ECAAHM
Cc1ncc(C(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)c(=O)[n-]1	ZINC000091997715	218100379	/nfs/dbraw/zinc/10/03/79/218100379.db2.gz	CANONZWBKLTMIN-NSHDSACASA-N	-1	3	329.360	0.547	50	0		ECAAHM
NC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1	ZINC000010044243	211144264	/nfs/dbraw/zinc/14/42/64/211144264.db2.gz	RITRGXQSSFZSHP-OAHLLOKOSA-N	-1	3	348.380	0.963	50	0		ECAAHM
CN1CCN([C@H]2CCN(Cc3c[nH]cn3)C[C@H]2CCC(=O)[O-])CC1	ZINC000095360666	218292796	/nfs/dbraw/zinc/29/27/96/218292796.db2.gz	FVIOXHBEVJDSAK-ZBFHGGJFSA-N	-1	3	335.452	0.712	50	0		ECAAHM
Cc1cc(CN2CCN(C(=O)CNC3CC3)C[C@@H](C(=O)[O-])C2)on1	ZINC000097334359	219012729	/nfs/dbraw/zinc/01/27/29/219012729.db2.gz	KMOIDSBGJFRFPV-LBPRGKRZSA-N	-1	3	336.392	0.080	50	0		ECAAHM
O=C(c1ccccc1-c1nnn[n-]1)N1CCN(c2ncccn2)CC1	ZINC000097515195	219032758	/nfs/dbraw/zinc/03/27/58/219032758.db2.gz	SCDFXMDHUOWSAS-UHFFFAOYSA-N	-1	3	336.359	0.619	50	0		ECAAHM
O=C(c1ccccc1-c1nn[n-]n1)N1CCN(c2ncccn2)CC1	ZINC000097515195	219032760	/nfs/dbraw/zinc/03/27/60/219032760.db2.gz	SCDFXMDHUOWSAS-UHFFFAOYSA-N	-1	3	336.359	0.619	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)NCCCc1nc2ccccc2s1	ZINC000097597466	219038014	/nfs/dbraw/zinc/03/80/14/219038014.db2.gz	XDEWUKBRXYLUPN-SNVBAGLBSA-N	-1	3	332.385	0.943	50	0		ECAAHM
CN(CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CCCc3ccccc32)C[C@H]1O	ZINC000328596203	258042607	/nfs/dbraw/zinc/04/26/07/258042607.db2.gz	WRNNBDRFZRMLRR-ARFHVFGLSA-N	-1	3	332.400	0.695	50	0		ECAAHM
Cc1cc2nc(CN3C[C@H](O)[C@@H](N4CCCCC4)C3)cc(=O)n2[n-]1	ZINC000334159632	258016540	/nfs/dbraw/zinc/01/65/40/258016540.db2.gz	TYGNYXZKKWMNRA-GJZGRUSLSA-N	-1	3	331.420	0.362	50	0		ECAAHM
CC(C)CN1C[C@@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)CCC1=O	ZINC000299762032	258078434	/nfs/dbraw/zinc/07/84/34/258078434.db2.gz	UTGCDLIGONBCFJ-LBPRGKRZSA-N	-1	3	332.404	0.962	50	0		ECAAHM
CN(C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCC(=O)NC2CCCC2)C1	ZINC000065399010	289336173	/nfs/dbraw/zinc/33/61/73/289336173.db2.gz	YZGPIGUUGVREJI-OLZOCXBDSA-N	-1	3	325.409	0.441	50	0		ECAAHM
CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000003830609	435977515	/nfs/dbraw/zinc/97/75/15/435977515.db2.gz	HGBLNBBNRORJKI-WCABBAIRSA-N	-1	3	341.433	0.280	50	0	world	ECAAHM
C[C@H](C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O)N1CCc2ccccc2C1	ZINC000072290752	436042648	/nfs/dbraw/zinc/04/26/48/436042648.db2.gz	AFBKMQQKKQIQTL-KZULUSFZSA-N	-1	3	342.399	0.244	50	0		ECAAHM
O=S(=O)([N-]C[C@@H]1CCS(=O)(=O)C1)c1cc(F)cc(F)c1	ZINC000044457633	436343730	/nfs/dbraw/zinc/34/37/30/436343730.db2.gz	AOMDDSGNJXMLGS-QMMMGPOBSA-N	-1	3	325.358	0.678	50	0		ECAAHM
Cc1ccc(N2C[C@@H](C)N(C(=O)c3cnc[n-]c3=O)CC2=O)cc1	ZINC000082115813	436361049	/nfs/dbraw/zinc/36/10/49/436361049.db2.gz	PNUIUGQEZOSPSY-GFCCVEGCSA-N	-1	3	326.356	0.956	50	0		ECAAHM
Cc1cc(C(=O)N2CC[C@](C)(O)[C@H](C)C2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000091603251	436454653	/nfs/dbraw/zinc/45/46/53/436454653.db2.gz	MZTKNAQFVZHNBC-XLFHBGCDSA-N	-1	3	346.387	0.163	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC(Nc2ccccn2)CC1	ZINC000091781461	436460251	/nfs/dbraw/zinc/46/02/51/436460251.db2.gz	PMWCLJZTLZDVLQ-LBPRGKRZSA-N	-1	3	331.376	0.473	50	0		ECAAHM
COc1ccc(C[C@@](C)(O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1	ZINC000096025797	436504353	/nfs/dbraw/zinc/50/43/53/436504353.db2.gz	KUTCCEWTNDLFTL-OAHLLOKOSA-N	-1	3	339.417	0.701	50	0		ECAAHM
O=C(c1cccc([O-])c1)N1CCN(c2nc3n[nH]cc3c(=O)[nH]2)CC1	ZINC000097163769	436539419	/nfs/dbraw/zinc/53/94/19/436539419.db2.gz	CKIVTLYMZCMTPE-UHFFFAOYSA-N	-1	3	340.343	0.314	50	0		ECAAHM
CC(C)CN1C[C@@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1=O	ZINC000065374206	436655778	/nfs/dbraw/zinc/65/57/78/436655778.db2.gz	GPYQSBIALQMSMU-AWEZNQCLSA-N	-1	3	342.403	0.987	50	0		ECAAHM
CC(C)CN1C[C@@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1=O	ZINC000065374206	436655780	/nfs/dbraw/zinc/65/57/80/436655780.db2.gz	GPYQSBIALQMSMU-AWEZNQCLSA-N	-1	3	342.403	0.987	50	0		ECAAHM
CC(C)N1CCNC(=O)[C@H]1CC(=O)Nc1ccccc1-c1nnn[n-]1	ZINC000065404895	436656992	/nfs/dbraw/zinc/65/69/92/436656992.db2.gz	PJLCMVLMSWVPHC-CYBMUJFWSA-N	-1	3	343.391	0.404	50	0		ECAAHM
CC(C)N1CCNC(=O)[C@H]1CC(=O)Nc1ccccc1-c1nn[n-]n1	ZINC000065404895	436656996	/nfs/dbraw/zinc/65/69/96/436656996.db2.gz	PJLCMVLMSWVPHC-CYBMUJFWSA-N	-1	3	343.391	0.404	50	0		ECAAHM
CCc1nccn1CCNC(=O)c1cc(-n2cnnn2)ccc1[O-]	ZINC000220151727	436698553	/nfs/dbraw/zinc/69/85/53/436698553.db2.gz	MCCMZLPYYWGYNI-UHFFFAOYSA-N	-1	3	327.348	0.557	50	0		ECAAHM
CCc1nc(C)c(CC(=O)NC[C@@H]2CC(=O)N(C(C)C)C2)c(=O)[n-]1	ZINC000221322242	436700547	/nfs/dbraw/zinc/70/05/47/436700547.db2.gz	XJBSWRXZLNTMAX-LBPRGKRZSA-N	-1	3	334.420	0.556	50	0		ECAAHM
Cc1ncc(CC(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c(=O)[n-]1	ZINC000222258976	436702341	/nfs/dbraw/zinc/70/23/41/436702341.db2.gz	CLSUTEIFAJJJFG-ZIAGYGMSSA-N	-1	3	344.371	0.369	50	0		ECAAHM
COC[C@@H]1[C@H](NC(=O)c2ccccc2-c2nnn[n-]2)[C@@H]2CCO[C@H]12	ZINC000223165842	436704855	/nfs/dbraw/zinc/70/48/55/436704855.db2.gz	FYEIQRZUPCMMEN-DGAVXFQQSA-N	-1	3	329.360	0.646	50	0		ECAAHM
COC[C@@H]1[C@H](NC(=O)c2ccccc2-c2nn[n-]n2)[C@@H]2CCO[C@H]12	ZINC000223165842	436704857	/nfs/dbraw/zinc/70/48/57/436704857.db2.gz	FYEIQRZUPCMMEN-DGAVXFQQSA-N	-1	3	329.360	0.646	50	0		ECAAHM
O=C(Nc1ccc(Cl)cc1Cl)C(=O)NN1CC(=O)[N-]C1=O	ZINC000225688200	436713662	/nfs/dbraw/zinc/71/36/62/436713662.db2.gz	ZCZCMIXKBIJJKB-UHFFFAOYSA-N	-1	3	331.115	0.515	50	0		ECAAHM
O=C([N-]N1CC(=O)NC1=O)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000225688200	436713665	/nfs/dbraw/zinc/71/36/65/436713665.db2.gz	ZCZCMIXKBIJJKB-UHFFFAOYSA-N	-1	3	331.115	0.515	50	0		ECAAHM
O=C(c1cc2ccccc2oc1=O)N1CC[C@@H](n2c([O-])coc2=O)C1	ZINC000225700037	436713824	/nfs/dbraw/zinc/71/38/24/436713824.db2.gz	SKNZPSLAVUHLAT-LLVKDONJSA-N	-1	3	342.307	0.986	50	0		ECAAHM
COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)c(OC)c1	ZINC000065465438	436662963	/nfs/dbraw/zinc/66/29/63/436662963.db2.gz	VPXYQNKLDCJXAB-QWHCGFSZSA-N	-1	3	347.371	0.965	50	0		ECAAHM
Cc1ncc(CO)c(C=NNc2ccc(S(N)(=O)=O)cc2)c1[O-]	ZINC000254484823	436850589	/nfs/dbraw/zinc/85/05/89/436850589.db2.gz	MJRMVUYSTFUZBC-UHFFFAOYSA-N	-1	3	336.373	0.681	50	0		ECAAHM
COc1cccc(CN2CCN(C(=O)c3cncc(=O)[n-]3)CC2=O)c1	ZINC000426389904	438056874	/nfs/dbraw/zinc/05/68/74/438056874.db2.gz	SFFRVHOQHXQDQS-UHFFFAOYSA-N	-1	3	342.355	0.263	50	0		ECAAHM
NC(=O)C1(NC(=O)c2cccc(-c3cc(=O)[n-]c(N)n3)c2)CCCC1	ZINC000426699899	438071318	/nfs/dbraw/zinc/07/13/18/438071318.db2.gz	IEMBRZSKFQXOIF-UHFFFAOYSA-N	-1	3	341.371	0.959	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CNC[C@@H]1CCCN1c1cccnn1	ZINC000588084843	438817176	/nfs/dbraw/zinc/81/71/76/438817176.db2.gz	MDKZGKORTONQEC-AWEZNQCLSA-N	-1	3	343.435	0.702	50	0		ECAAHM
C[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CS(=O)(=O)[N-]Cc2ccco2)C1	ZINC000521397005	439117483	/nfs/dbraw/zinc/11/74/83/439117483.db2.gz	GBDNWGIGWWLYKU-MRVWCRGKSA-N	-1	3	342.417	0.582	50	0		ECAAHM
COC(=O)c1cn(NC(=O)c2ccc([O-])cc2)cc2c(=O)[nH]nc1-2	ZINC000524733696	439192078	/nfs/dbraw/zinc/19/20/78/439192078.db2.gz	GWOLEOMXSBKOJW-UHFFFAOYSA-N	-1	3	328.284	0.965	50	0		ECAAHM
COCc1nc(NC(=O)c2c(C)c(C)sc2-n2cnnn2)n[n-]1	ZINC000524734615	439193092	/nfs/dbraw/zinc/19/30/92/439193092.db2.gz	VJGJZCMWSMHOOQ-UHFFFAOYSA-N	-1	3	334.365	0.857	50	0		ECAAHM
Cc1cccn2c(=O)c(C(=O)NCCCN3CCCC3=O)c([O-])nc12	ZINC000020356039	545657219	/nfs/dbraw/zinc/65/72/19/545657219.db2.gz	NZNOOSBYTVUQDK-UHFFFAOYSA-N	-1	3	344.371	0.451	50	0		ECAAHM
CN(Cc1cccc(C(N)=O)c1)Cc1nc2c(cnn2C)c(=O)[n-]1	ZINC000052863828	214152825	/nfs/dbraw/zinc/15/28/25/214152825.db2.gz	GVIUQOWGTXNLFY-UHFFFAOYSA-N	-1	3	326.360	0.388	50	0		ECAAHM
O=C(Cc1ccccc1)N1CCN(c2cc(=O)[n-]cn2)C[C@@H](O)C1	ZINC000097730016	219051860	/nfs/dbraw/zinc/05/18/60/219051860.db2.gz	OKZKRRQDECPWKF-CQSZACIVSA-N	-1	3	328.372	0.022	50	0		ECAAHM
Cc1ncc(CO)c(CN2CCc3nc(C)n(C)c(=O)c3CC2)c1[O-]	ZINC000065404663	282157696	/nfs/dbraw/zinc/15/76/96/282157696.db2.gz	BTIYUHRERRDTBW-UHFFFAOYSA-N	-1	3	344.415	0.591	50	0		ECAAHM
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@]3(CCOC3)C2)ccc1F	ZINC000152990820	530025118	/nfs/dbraw/zinc/02/51/18/530025118.db2.gz	BJROPPMFKLARBO-OAHLLOKOSA-N	-1	3	342.392	0.986	50	0		ECAAHM
CN(C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H]1CCOC1)C2	ZINC000067774705	215209162	/nfs/dbraw/zinc/20/91/62/215209162.db2.gz	KYFMPUFQHBNFTH-NSHDSACASA-N	-1	3	336.392	0.064	50	0		ECAAHM
CCc1nnc(NC(=O)C(=O)N2CCc3c(nc(C)[n-]c3=O)C2)s1	ZINC000071750270	215807042	/nfs/dbraw/zinc/80/70/42/215807042.db2.gz	PBIYJSDVCIHUBL-UHFFFAOYSA-N	-1	3	348.388	0.016	50	0		ECAAHM
COc1nc2c(cc1C(=O)N1CCc3c(nc(N)[n-]c3=O)C1)CCC2	ZINC000072154407	216043560	/nfs/dbraw/zinc/04/35/60/216043560.db2.gz	RVWRCNAMMHYADV-UHFFFAOYSA-N	-1	3	341.371	0.443	50	0		ECAAHM
COCc1nc2c(cnn2C)c(NCCc2nc(C)cc(=O)[n-]2)n1	ZINC000072170153	216061707	/nfs/dbraw/zinc/06/17/07/216061707.db2.gz	UECHXFYLIXWVRR-UHFFFAOYSA-N	-1	3	329.364	0.556	50	0		ECAAHM
O=C([O-])[C@@H]1c2nc[nH]c2CCN1Cc1cnc(N2CCOCC2)nc1	ZINC000072421272	216209201	/nfs/dbraw/zinc/20/92/01/216209201.db2.gz	YOTXMLBYYPVAIK-AWEZNQCLSA-N	-1	3	344.375	0.220	50	0		ECAAHM
O=C([O-])[C@@]12CNC(=O)[C@@H]1CN(Cc1cnn(-c3ccccc3)c1)C2	ZINC000072431158	216223091	/nfs/dbraw/zinc/22/30/91/216223091.db2.gz	MEFDWRRAJFQTCT-WMLDXEAASA-N	-1	3	326.356	0.505	50	0		ECAAHM
CCn1ncc(CN2C[C@H]3C(=O)N(CC4CC4)C[C@@]3(C(=O)[O-])C2)c1C	ZINC000072447807	216237291	/nfs/dbraw/zinc/23/72/91/216237291.db2.gz	UWJKOCUBQSKDOX-YJBOKZPZSA-N	-1	3	346.431	0.966	50	0		ECAAHM
Cc1nc(CCNC(=O)CCn2c3ccccc3[nH]c2=O)cc(=O)[n-]1	ZINC000215019488	241102985	/nfs/dbraw/zinc/10/29/85/241102985.db2.gz	BOUXNUDNAHKIBN-UHFFFAOYSA-N	-1	3	341.371	0.470	50	0		ECAAHM
Cc1nc(C)c(CC(=O)NCCc2noc([C@@H]3CCCO3)n2)c(=O)[n-]1	ZINC000215012166	241103211	/nfs/dbraw/zinc/10/32/11/241103211.db2.gz	WSDAAUOCXKPKGU-LBPRGKRZSA-N	-1	3	347.375	0.523	50	0		ECAAHM
CN1CCN([C@@H]2CCN(Cc3ccccc3OCC(=O)[O-])C2)CC1	ZINC000215848340	241149767	/nfs/dbraw/zinc/14/97/67/241149767.db2.gz	XLEPCTLERRDOCU-MRXNPFEDSA-N	-1	3	333.432	0.972	50	0		ECAAHM
Cc1c[nH]c(CN2CCN(c3cc(=O)[n-]c(N)n3)CC2)c(C)c1=O	ZINC000253536232	244013936	/nfs/dbraw/zinc/01/39/36/244013936.db2.gz	BWHQCFVTTMWYIJ-UHFFFAOYSA-N	-1	3	330.392	0.804	50	0		ECAAHM
O=C(NCC[N-]S(=O)(=O)c1cccc2nonc21)c1ccccn1	ZINC000012391636	211368068	/nfs/dbraw/zinc/36/80/68/211368068.db2.gz	OBKNFGXFZZZEAM-UHFFFAOYSA-N	-1	3	347.356	0.326	50	0		ECAAHM
CN1CCN(Cc2ncccn2)C[C@@]12CCC(=O)N(CC(=O)[O-])CC2	ZINC000091452168	218008311	/nfs/dbraw/zinc/00/83/11/218008311.db2.gz	VYNMTZVTMXQUAS-KRWDZBQOSA-N	-1	3	347.419	0.060	50	0		ECAAHM
CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1cccnc1N)CC2	ZINC000092028946	218106570	/nfs/dbraw/zinc/10/65/70/218106570.db2.gz	ADCAIJKKYWJEJT-CQSZACIVSA-N	-1	3	332.404	0.951	50	0		ECAAHM
COCCN1C[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3[n-]c(C)cc3n1)C2	ZINC000092065228	218113463	/nfs/dbraw/zinc/11/34/63/218113463.db2.gz	COURCZRCWOBZPC-GOEBONIOSA-N	-1	3	345.447	0.874	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCc1nc2ccccc2s1	ZINC000097597469	219038138	/nfs/dbraw/zinc/03/81/38/219038138.db2.gz	XDEWUKBRXYLUPN-JTQLQIEISA-N	-1	3	332.385	0.943	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOCC(F)(F)C2)cn1	ZINC000288611581	258012445	/nfs/dbraw/zinc/01/24/45/258012445.db2.gz	QPOLNVFXTGVUIW-UHFFFAOYSA-N	-1	3	335.332	0.097	50	0		ECAAHM
CCn1nc(C)c(CN(CCOC)C(=O)c2cc(=O)[n-]c(=O)[nH]2)c1C	ZINC000055061127	258061368	/nfs/dbraw/zinc/06/13/68/258061368.db2.gz	XCXPHORVOBRKPW-UHFFFAOYSA-N	-1	3	349.391	0.598	50	0		ECAAHM
CC(C)CN1C[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)CCC1=O	ZINC000299762031	258078513	/nfs/dbraw/zinc/07/85/13/258078513.db2.gz	UTGCDLIGONBCFJ-GFCCVEGCSA-N	-1	3	332.404	0.962	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3nn(C)cc32)cn1	ZINC000282487765	264048516	/nfs/dbraw/zinc/04/85/16/264048516.db2.gz	METFXIJDISZNJI-LBPRGKRZSA-N	-1	3	349.416	0.531	50	0		ECAAHM
CC(C)[C@H](CO)NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067723608	280262900	/nfs/dbraw/zinc/26/29/00/280262900.db2.gz	WIXFLKAISVOFPX-VIFPVBQESA-N	-1	3	348.446	0.387	50	0		ECAAHM
CC1(C)Cc2c(sc(NC(=O)C(=O)NCCN)c2C(=O)[O-])CO1	ZINC000006758334	281369859	/nfs/dbraw/zinc/36/98/59/281369859.db2.gz	JSPMLWUWRQZSFA-UHFFFAOYSA-N	-1	3	341.389	0.311	50	0		ECAAHM
COC[C@](C)(O)C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C	ZINC000227663176	293263431	/nfs/dbraw/zinc/26/34/31/293263431.db2.gz	DATCSLHSMNARMP-GLQYFDAESA-N	-1	3	333.450	0.699	50	0		ECAAHM
CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000001709609	435960939	/nfs/dbraw/zinc/96/09/39/435960939.db2.gz	KEVYYIMVELOXCT-ZIAGYGMSSA-N	-1	3	335.404	0.288	50	0		ECAAHM
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@]([O-])(C(F)(F)F)C(=O)N3)cc1	ZINC000002504103	435967545	/nfs/dbraw/zinc/96/75/45/435967545.db2.gz	ZVQWOXPMBIKVSS-ZDUSSCGKSA-N	-1	3	341.245	0.536	50	0		ECAAHM
Cc1cccc(NC(=O)COC(=O)c2[nH]c(=O)[n-]c(=O)c2N)c1C	ZINC000003243721	435974882	/nfs/dbraw/zinc/97/48/82/435974882.db2.gz	LSTAJGLFCWTFRG-UHFFFAOYSA-N	-1	3	332.316	0.058	50	0		ECAAHM
CCOC(=O)c1cc(-c2ccccn2)nc2c1c(=O)[n-]c(=O)n2C	ZINC000005689654	435990728	/nfs/dbraw/zinc/99/07/28/435990728.db2.gz	SRTHUMVVECDYJD-UHFFFAOYSA-N	-1	3	326.312	0.861	50	0		ECAAHM
COc1ccc(N(C)S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)cc1	ZINC000000423301	435956812	/nfs/dbraw/zinc/95/68/12/435956812.db2.gz	LCWTZJFGHYVVEZ-UHFFFAOYSA-N	-1	3	325.346	0.205	50	0		ECAAHM
COCCc1nc(C[N-]S(=O)(=O)NCc2ccccc2)no1	ZINC000071419145	436007077	/nfs/dbraw/zinc/00/70/77/436007077.db2.gz	CDEIFEUWLMGOCR-UHFFFAOYSA-N	-1	3	326.378	0.383	50	0		ECAAHM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Cl)cc3Cl)c(=O)c1-2	ZINC000018142226	436102668	/nfs/dbraw/zinc/10/26/68/436102668.db2.gz	QXMINXSNMCUMBY-BDAKNGLRSA-N	-1	3	342.138	0.984	50	0		ECAAHM
Cc1nc(C)c(CCC(=O)N2CCN(c3ncccn3)CC2)c(=O)[n-]1	ZINC000012801164	436057295	/nfs/dbraw/zinc/05/72/95/436057295.db2.gz	DBLQCDGQAWVIFL-UHFFFAOYSA-N	-1	3	342.403	0.458	50	0		ECAAHM
CC1=C[C@]([O-])(C(F)(F)Cl)N(S(=O)(=O)c2cnn(C)c2)N1	ZINC000017067387	436098647	/nfs/dbraw/zinc/09/86/47/436098647.db2.gz	KXAFFKVXXBZGJB-QMMMGPOBSA-N	-1	3	328.728	0.711	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC(OCc2cccnc2)CC1	ZINC000077487299	436240727	/nfs/dbraw/zinc/24/07/27/436240727.db2.gz	WOHHUQWLGQEZMO-AWEZNQCLSA-N	-1	3	346.387	0.577	50	0		ECAAHM
CCn1nc2c(cc1=O)CN([C@H](C)C(=O)[N-]c1cc(C)no1)CC2	ZINC000078614667	436272166	/nfs/dbraw/zinc/27/21/66/436272166.db2.gz	DKJQSYYBJTXQLY-LLVKDONJSA-N	-1	3	331.376	0.945	50	0		ECAAHM
COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)CC2	ZINC000042814158	436318608	/nfs/dbraw/zinc/31/86/08/436318608.db2.gz	WSXXXZQPGQRXBD-NSHDSACASA-N	-1	3	333.344	0.187	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1ccc(N2CCCCC2)nc1	ZINC000048373524	436450530	/nfs/dbraw/zinc/45/05/30/436450530.db2.gz	GMIOUQKSSQXOIJ-CYBMUJFWSA-N	-1	3	345.403	0.676	50	0		ECAAHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC(=O)N(C)C2)c(Cl)c1	ZINC000058267292	436622494	/nfs/dbraw/zinc/62/24/94/436622494.db2.gz	VPINUFRWKLAPKD-VIFPVBQESA-N	-1	3	346.792	0.636	50	0		ECAAHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CN(C3CC3)C[C@@H]2C)o1	ZINC000107155707	436608794	/nfs/dbraw/zinc/60/87/94/436608794.db2.gz	YVISIMGZNPTCBQ-GXSJLCMTSA-N	-1	3	328.390	0.827	50	0		ECAAHM
CCN1C[C@@H](CN(C)Cc2cc(=O)[n-]c(=O)[nH]2)Oc2ccccc21	ZINC000058226103	436621160	/nfs/dbraw/zinc/62/11/60/436621160.db2.gz	MNSRETMMEMVXEE-CYBMUJFWSA-N	-1	3	330.388	0.783	50	0		ECAAHM
CCC(CC)C(=O)N1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000065168718	436653200	/nfs/dbraw/zinc/65/32/00/436653200.db2.gz	AYXVMFXKTBUVBC-UHFFFAOYSA-N	-1	3	346.435	0.737	50	0		ECAAHM
O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1nc2ccccc2c(=O)[n-]1	ZINC000220431499	436699590	/nfs/dbraw/zinc/69/95/90/436699590.db2.gz	CSQUQEOBUBGAAV-GJZGRUSLSA-N	-1	3	342.399	0.906	50	0		ECAAHM
CO[C@H](C)CS(=O)(=O)[N-][C@H](C)C(=O)N1CCc2ccccc21	ZINC000225672690	436713769	/nfs/dbraw/zinc/71/37/69/436713769.db2.gz	AZURFLDYNXTACG-VXGBXAGGSA-N	-1	3	326.418	0.919	50	0		ECAAHM
CC(C)N(C)C(=O)C1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000065439592	436661161	/nfs/dbraw/zinc/66/11/61/436661161.db2.gz	ZTPSSCYFYJHTBP-UHFFFAOYSA-N	-1	3	346.435	0.735	50	0		ECAAHM
CN(C)C(=O)C[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1	ZINC000065501227	436665463	/nfs/dbraw/zinc/66/54/63/436665463.db2.gz	WNTIBAPJPYNKEB-UHFFFAOYSA-N	-1	3	341.364	0.988	50	0		ECAAHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000248091446	436800856	/nfs/dbraw/zinc/80/08/56/436800856.db2.gz	VRWZLFVPHZTUAR-ITGHMWBKSA-N	-1	3	341.452	0.872	50	0		ECAAHM
CCS(=O)(=O)CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1	ZINC000253417751	436844208	/nfs/dbraw/zinc/84/42/08/436844208.db2.gz	DMJDFWDRZHAQGN-UHFFFAOYSA-N	-1	3	338.382	0.107	50	0		ECAAHM
CO[N-]C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000170620871	436947578	/nfs/dbraw/zinc/94/75/78/436947578.db2.gz	NSAAHIZCDUSAAK-UHFFFAOYSA-N	-1	3	344.389	0.584	50	0		ECAAHM
O=C(CCC(=O)N1CCNC(=O)C1)[N-]C1=N[C@@H]2CCCC[C@H]2S1	ZINC000041127888	303575469	/nfs/dbraw/zinc/57/54/69/303575469.db2.gz	IDJJTGZUIFUBCX-GHMZBOCLSA-N	-1	3	338.433	0.255	50	0		ECAAHM
Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1	ZINC000192625085	437681791	/nfs/dbraw/zinc/68/17/91/437681791.db2.gz	OLLCSKHMQYNUSG-ZIAGYGMSSA-N	-1	3	333.436	0.790	50	0		ECAAHM
CCn1nc(C)c(CN(CCOC)C(=O)c2cncc(=O)[n-]2)c1C	ZINC000426594822	438069050	/nfs/dbraw/zinc/06/90/50/438069050.db2.gz	KJFFUHUDGFHWQG-UHFFFAOYSA-N	-1	3	333.392	0.892	50	0		ECAAHM
CC1CCN(S(=O)(=O)[N-]Cc2noc([C@H]3CCCO3)n2)CC1	ZINC000534577710	439528366	/nfs/dbraw/zinc/52/83/66/439528366.db2.gz	SKMZNYRAWSNBHJ-LLVKDONJSA-N	-1	3	330.410	0.987	50	0		ECAAHM
Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C[C@@H](C)O	ZINC000585115911	439632013	/nfs/dbraw/zinc/63/20/13/439632013.db2.gz	ZHVHJQYQSPCOJL-ZCFIWIBFSA-N	-1	3	349.210	0.459	50	0		ECAAHM
CC(C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1)S(C)(=O)=O	ZINC000630245466	440870807	/nfs/dbraw/zinc/87/08/07/440870807.db2.gz	JGMAHULZYWEOOP-QMMMGPOBSA-N	-1	3	346.430	0.980	50	0		ECAAHM
CN(CC(=O)NC[C@H]1CCCO1)Cc1cccc(-c2nnn[n-]2)c1	ZINC000244899741	545936506	/nfs/dbraw/zinc/93/65/06/545936506.db2.gz	ZPENVQZMEMAMSR-CQSZACIVSA-N	-1	3	330.392	0.594	50	0		ECAAHM
CN(CC(=O)NC[C@H]1CCCO1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000244899741	545936510	/nfs/dbraw/zinc/93/65/10/545936510.db2.gz	ZPENVQZMEMAMSR-CQSZACIVSA-N	-1	3	330.392	0.594	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cn[nH]c2)cn1	ZINC000585087534	578132647	/nfs/dbraw/zinc/13/26/47/578132647.db2.gz	GUAJFRUAPUGRDX-LBPRGKRZSA-N	-1	3	335.389	0.690	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1Cn2cccc2C(=O)N1C	ZINC000169778827	609745754	/nfs/dbraw/zinc/74/57/54/609745754.db2.gz	KRJMVPLIWOVSFG-NSHDSACASA-N	-1	3	338.389	0.526	50	0		ECAAHM
N=c1nn[n-]n1CC(=O)NC[C@@H](c1ccccc1)N1CCCCC1	ZINC000952971541	612139060	/nfs/dbraw/zinc/13/90/60/612139060.db2.gz	KDTWMYQDJYGYPD-AWEZNQCLSA-N	-1	3	329.408	0.429	50	0		ECAAHM
Cc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)c([O-])c1	ZINC000051986787	214111206	/nfs/dbraw/zinc/11/12/06/214111206.db2.gz	IHLSUTKEJITXQS-UHFFFAOYSA-N	-1	3	328.390	0.092	50	0		ECAAHM
CNC(=O)[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1	ZINC000053669153	214193800	/nfs/dbraw/zinc/19/38/00/214193800.db2.gz	TUPUBHJMSIDCEI-CYBMUJFWSA-N	-1	3	336.417	0.803	50	0		ECAAHM
O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCCn1ccnc1	ZINC000054777118	214255195	/nfs/dbraw/zinc/25/51/95/214255195.db2.gz	PWIBTFUZLVBNDB-UHFFFAOYSA-N	-1	3	339.355	0.271	50	0		ECAAHM
COc1cc2c(cc1OC)CCN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)CC2	ZINC000056462590	214376041	/nfs/dbraw/zinc/37/60/41/214376041.db2.gz	RJJOPBIITSOQAF-LBPRGKRZSA-N	-1	3	347.371	0.229	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)NC[C@H]1CCCO1)CNCC2	ZINC000067695684	215187748	/nfs/dbraw/zinc/18/77/48/215187748.db2.gz	DICBJEJZGCKUDM-MRVPVSSYSA-N	-1	3	346.430	0.549	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)NC[C@H]1CCOC1)CNCC2	ZINC000067846650	215228275	/nfs/dbraw/zinc/22/82/75/215228275.db2.gz	HNEWPRSMVVMDAV-MRVPVSSYSA-N	-1	3	346.430	0.407	50	0		ECAAHM
CCn1c(CC2CCN(Cc3c[nH]nc3C(=O)[O-])CC2)nn(C)c1=O	ZINC000067868957	215236036	/nfs/dbraw/zinc/23/60/36/215236036.db2.gz	NAOIAUYIRKKDAH-UHFFFAOYSA-N	-1	3	348.407	0.478	50	0		ECAAHM
Cc1cc(C(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)n(C)n1	ZINC000069220099	215370933	/nfs/dbraw/zinc/37/09/33/215370933.db2.gz	FQQBRLHVYVMBHS-MRXNPFEDSA-N	-1	3	327.344	0.841	50	0		ECAAHM
CCOC(=O)NCCC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000069325831	215378799	/nfs/dbraw/zinc/37/87/99/215378799.db2.gz	DFBPFSLYRCCXSG-UHFFFAOYSA-N	-1	3	349.387	0.813	50	0		ECAAHM
CCCN1CCN(C(=O)c2ccccc2[O-])[C@H]2CS(=O)(=O)C[C@H]21	ZINC000072447272	216237149	/nfs/dbraw/zinc/23/71/49/216237149.db2.gz	ZOMHKOCGHZZQMV-KGLIPLIRSA-N	-1	3	338.429	0.726	50	0		ECAAHM
Cc1nn(-c2ccccc2)cc1CN1C[C@H]2C(=O)NC[C@@]2(C(=O)[O-])C1	ZINC000072477222	216255486	/nfs/dbraw/zinc/25/54/86/216255486.db2.gz	FTMNELFXDXVPRH-MAUKXSAKSA-N	-1	3	340.383	0.813	50	0		ECAAHM
CN1CCN([C@H]2CCN(Cc3ccccc3OCC(=O)[O-])C2)CC1	ZINC000215848386	241150359	/nfs/dbraw/zinc/15/03/59/241150359.db2.gz	XLEPCTLERRDOCU-INIZCTEOSA-N	-1	3	333.432	0.972	50	0		ECAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CCC(OCc2cccnc2)CC1	ZINC000216401157	241188279	/nfs/dbraw/zinc/18/82/79/241188279.db2.gz	YSOUKXCVTWJXBV-UHFFFAOYSA-N	-1	3	330.344	0.280	50	0		ECAAHM
O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1c[nH]c(=O)[n-]c1=O	ZINC000253535280	244008392	/nfs/dbraw/zinc/00/83/92/244008392.db2.gz	ODJQJYOHULHNHS-SUZMYJTESA-N	-1	3	330.344	0.395	50	0		ECAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3ccccc3Cl)CC2)N1	ZINC000011694145	211236471	/nfs/dbraw/zinc/23/64/71/211236471.db2.gz	RYURJFKCNVPORM-UHFFFAOYSA-N	-1	3	343.792	0.703	50	0		ECAAHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@@H]1CCCCn3nnnc31)C2	ZINC000299792197	258097527	/nfs/dbraw/zinc/09/75/27/258097527.db2.gz	FLSVBIORYOFDGD-LLVKDONJSA-N	-1	3	329.364	0.330	50	0		ECAAHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000000614972	435956468	/nfs/dbraw/zinc/95/64/68/435956468.db2.gz	ZKIZGDKDSLVPTN-LLVKDONJSA-N	-1	3	334.419	0.515	50	0		ECAAHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000000614973	435956593	/nfs/dbraw/zinc/95/65/93/435956593.db2.gz	ZKIZGDKDSLVPTN-NSHDSACASA-N	-1	3	334.419	0.515	50	0		ECAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCC2(CC1)OCCO2	ZINC000015862607	436086406	/nfs/dbraw/zinc/08/64/06/436086406.db2.gz	VJWAVTLSZMHPDA-UHFFFAOYSA-N	-1	3	345.377	0.114	50	0		ECAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCC2(CC1)OCCO2	ZINC000015862607	436086411	/nfs/dbraw/zinc/08/64/11/436086411.db2.gz	VJWAVTLSZMHPDA-UHFFFAOYSA-N	-1	3	345.377	0.114	50	0		ECAAHM
CC(C)Cc1cc(C(=O)N2CCC3(CNC(=O)C3)CC2)[n-]c(=O)n1	ZINC000077341175	436234451	/nfs/dbraw/zinc/23/44/51/436234451.db2.gz	UOROSAQCHYRNER-UHFFFAOYSA-N	-1	3	332.404	0.711	50	0		ECAAHM
COc1ccc(OC)c([C@@H]2CCN(C(=O)c3c[nH]c(=O)[n-]c3=O)C2)c1	ZINC000077520895	436240892	/nfs/dbraw/zinc/24/08/92/436240892.db2.gz	QHBZAXHDTDZZEZ-SNVBAGLBSA-N	-1	3	345.355	0.710	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)NC2CCN(C3CC3)CC2)o1	ZINC000032923924	436248099	/nfs/dbraw/zinc/24/80/99/436248099.db2.gz	FFVDKTFWNQZSIU-UHFFFAOYSA-N	-1	3	327.406	0.544	50	0		ECAAHM
COc1ccc([N-]S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1Cl	ZINC000033327119	436253117	/nfs/dbraw/zinc/25/31/17/436253117.db2.gz	XITDTUDPYWAYNY-UHFFFAOYSA-N	-1	3	331.737	0.938	50	0		ECAAHM
COc1ccccc1OC1(C(=O)[O-])CCN(C[C@@H](O)CO)CC1	ZINC000082120338	436360684	/nfs/dbraw/zinc/36/06/84/436360684.db2.gz	HFYNSHBRFSTEPE-GFCCVEGCSA-N	-1	3	325.361	0.346	50	0		ECAAHM
O=C1COc2cc(S(=O)(=O)[N-]C[C@@H]3CCOC3)c(Cl)cc2N1	ZINC000045743031	436374463	/nfs/dbraw/zinc/37/44/63/436374463.db2.gz	ZWIGMZMLBRPIBM-QMMMGPOBSA-N	-1	3	346.792	0.986	50	0		ECAAHM
Cc1cc(C(F)(F)F)nn1CCNC(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000091304144	436448205	/nfs/dbraw/zinc/44/82/05/436448205.db2.gz	XBQUXEZCNQHIKF-QMMMGPOBSA-N	-1	3	347.297	0.315	50	0		ECAAHM
C[C@@H]1COCCN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000048356607	436451460	/nfs/dbraw/zinc/45/14/60/436451460.db2.gz	GSHQRPDSEDIUNE-LLVKDONJSA-N	-1	3	329.356	0.505	50	0		ECAAHM
O=C([C@@H]1CCCN1Cc1ccccc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000095407667	436495034	/nfs/dbraw/zinc/49/50/34/436495034.db2.gz	VBZZJDSKMLAXBD-GJZGRUSLSA-N	-1	3	342.399	0.414	50	0		ECAAHM
CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000095941953	436500433	/nfs/dbraw/zinc/50/04/33/436500433.db2.gz	SAOKSQVDCYFHAN-JTQLQIEISA-N	-1	3	327.811	0.994	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CC2CCN(c3ncccn3)CC2)c1	ZINC000096025849	436505617	/nfs/dbraw/zinc/50/56/17/436505617.db2.gz	SQNWFYJZBGWOJK-UHFFFAOYSA-N	-1	3	336.421	0.405	50	0		ECAAHM
CC[C@H](C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)CC)C(=O)[O-]	ZINC000105460306	436573924	/nfs/dbraw/zinc/57/39/24/436573924.db2.gz	JNTMAZFVYNDPLB-PDWCTOEPSA-N	-1	3	341.452	0.966	50	0		ECAAHM
CC(=O)N1CCN(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1	ZINC000058178283	436620590	/nfs/dbraw/zinc/62/05/90/436620590.db2.gz	MGJXYBVHRLGNNL-UHFFFAOYSA-N	-1	3	347.387	0.407	50	0		ECAAHM
COc1cccc(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)c1	ZINC000058167706	436621007	/nfs/dbraw/zinc/62/10/07/436621007.db2.gz	MPXUUVOECQLWEF-UHFFFAOYSA-N	-1	3	338.389	0.654	50	0		ECAAHM
O=c1cc(CO)oc(CN2CCCN(c3ncccn3)CC2)c1[O-]	ZINC000061722154	436638544	/nfs/dbraw/zinc/63/85/44/436638544.db2.gz	RVXXVUWNGCABKU-UHFFFAOYSA-N	-1	3	332.360	0.340	50	0		ECAAHM
CCc1ccc(S(=O)(=O)N2CC(n3c([O-])coc3=O)C2)s1	ZINC000240002240	436757694	/nfs/dbraw/zinc/75/76/94/436757694.db2.gz	PPWJKNBOECXVER-UHFFFAOYSA-N	-1	3	330.387	0.662	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCO[C@@H](Cn2cccn2)C1	ZINC000255075271	436850570	/nfs/dbraw/zinc/85/05/70/436850570.db2.gz	JEFFIIBMVQFKEG-CQSZACIVSA-N	-1	3	332.408	0.251	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCN(C[C@@H](C)O)[C@@H](CC)C1	ZINC000252504995	436835479	/nfs/dbraw/zinc/83/54/79/436835479.db2.gz	HPGWGIGEDIPEDL-CABCVRRESA-N	-1	3	337.468	0.431	50	0		ECAAHM
CC(C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])S(C)(=O)=O	ZINC000261979235	436900550	/nfs/dbraw/zinc/90/05/50/436900550.db2.gz	ZXLQEOGVDALJIY-ZANVPECISA-N	-1	3	338.385	0.713	50	0		ECAAHM
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000182126116	437340696	/nfs/dbraw/zinc/34/06/96/437340696.db2.gz	ROHHQXAVQWWKJH-VIFPVBQESA-N	-1	3	349.778	0.308	50	0		ECAAHM
COc1ccc(C(=O)N2CC[C@@H](Nc3ncccn3)[C@H](O)C2)c([O-])c1	ZINC000426535007	438066779	/nfs/dbraw/zinc/06/67/79/438066779.db2.gz	BJBJISPUCBTDOR-UKRRQHHQSA-N	-1	3	344.371	0.878	50	0		ECAAHM
CCn1cc(S(=O)(=O)[N-]Cc2cn(-c3ccncc3)nn2)nc1C	ZINC000390832037	438433080	/nfs/dbraw/zinc/43/30/80/438433080.db2.gz	WSYRBECHKUXKKT-UHFFFAOYSA-N	-1	3	347.404	0.666	50	0		ECAAHM
Cc1cc(-c2cccnc2)nn1CC[N-]S(=O)(=O)c1cn(C)cn1	ZINC000390826385	438435085	/nfs/dbraw/zinc/43/50/85/438435085.db2.gz	JOIKIEJVBZEHGY-UHFFFAOYSA-N	-1	3	346.416	0.966	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCn2ccc3ccn(C)c3c2=O)cn1C	ZINC000575617630	438751524	/nfs/dbraw/zinc/75/15/24/438751524.db2.gz	QAMOCDURFBYORY-UHFFFAOYSA-N	-1	3	349.416	0.360	50	0		ECAAHM
O=C(c1cccc2c1OCCO2)N1CC(Cn2c([O-])coc2=O)C1	ZINC000575617138	438751724	/nfs/dbraw/zinc/75/17/24/438751724.db2.gz	SNCASYGTQKVSJJ-UHFFFAOYSA-N	-1	3	332.312	0.509	50	0		ECAAHM
CCCCN(C)S(=O)(=O)[N-][C@H](c1cnn(C)c1)c1noc(C)n1	ZINC000585114549	439632980	/nfs/dbraw/zinc/63/29/80/439632980.db2.gz	JAUJCKNLVVPGMQ-GFCCVEGCSA-N	-1	3	342.425	0.767	50	0		ECAAHM
COc1ccc(C[C@H](N)C(=O)NCCc2nc(C)cc(=O)[n-]2)cc1	ZINC000222336450	545921482	/nfs/dbraw/zinc/92/14/82/545921482.db2.gz	OXUINUDDBBTCQQ-AWEZNQCLSA-N	-1	3	330.388	0.316	50	0		ECAAHM
Cc1cc(N2CCC3(CCC(=O)N(CC(=O)[O-])C3)CC2)nc(N)n1	ZINC000091326352	612814937	/nfs/dbraw/zinc/81/49/37/612814937.db2.gz	KPNUMFJRZBHOKD-UHFFFAOYSA-N	-1	3	333.392	0.661	50	0		ECAAHM
Cc1nn2c(nnc2SCC(=O)Nc2ccc(F)cc2)[n-]c1=O	ZINC000004251382	210152438	/nfs/dbraw/zinc/15/24/38/210152438.db2.gz	NTNZALSLJBKWLP-UHFFFAOYSA-N	-1	3	334.336	0.991	50	0		ECAAHM
CN(CCCO)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067695048	215187837	/nfs/dbraw/zinc/18/78/37/215187837.db2.gz	FMVKVWSKKWOFJF-UHFFFAOYSA-N	-1	3	334.419	0.095	50	0		ECAAHM
Cc1ccccc1OC[C@H](O)C(=O)N1CCc2c(=O)[n-]cnc2C1	ZINC000072132094	216022237	/nfs/dbraw/zinc/02/22/37/216022237.db2.gz	AEPIEDYVNSBLKS-AWEZNQCLSA-N	-1	3	329.356	0.403	50	0		ECAAHM
CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1	ZINC000072151626	216039232	/nfs/dbraw/zinc/03/92/32/216039232.db2.gz	SHOXTTCSYCXLFY-SFHVURJKSA-N	-1	3	344.415	0.694	50	0		ECAAHM
CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000072408258	216199683	/nfs/dbraw/zinc/19/96/83/216199683.db2.gz	GFFXQSDTPSGUHY-UHFFFAOYSA-N	-1	3	325.328	0.933	50	0		ECAAHM
COc1ccccc1OC1CCN(C(=O)C[C@H]2NC(=O)[N-]C2=O)CC1	ZINC000072425834	216215639	/nfs/dbraw/zinc/21/56/39/216215639.db2.gz	GVOSTHIVNXZBFE-GFCCVEGCSA-N	-1	3	347.371	0.663	50	0		ECAAHM
Cc1nccn1C1(C(=O)[O-])CCN(c2ncnc3[nH]cnc32)CC1	ZINC000072429223	216220076	/nfs/dbraw/zinc/22/00/76/216220076.db2.gz	DGZKNSWBJJICQA-UHFFFAOYSA-N	-1	3	327.348	0.938	50	0		ECAAHM
Cc1[nH+]ccn1C1(C(=O)[O-])CCN(c2ncnc3[n-]cnc32)CC1	ZINC000072429223	216220079	/nfs/dbraw/zinc/22/00/79/216220079.db2.gz	DGZKNSWBJJICQA-UHFFFAOYSA-N	-1	3	327.348	0.938	50	0		ECAAHM
CCCN1CCN(C(=O)c2cccc([O-])c2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000072434420	216229196	/nfs/dbraw/zinc/22/91/96/216229196.db2.gz	PJDDVTKVIDRPGA-CABCVRRESA-N	-1	3	338.429	0.726	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)NCC1(c2ccccc2)CCOCC1	ZINC000215241048	241114333	/nfs/dbraw/zinc/11/43/33/241114333.db2.gz	DOYXJLDEVORXJF-CYBMUJFWSA-N	-1	3	331.372	0.449	50	0		ECAAHM
COc1nn(C)cc1C(=O)[N-]c1nnc(SCC(N)=O)s1	ZINC000021011172	212199500	/nfs/dbraw/zinc/19/95/00/212199500.db2.gz	QGAPITBFLAEUAR-UHFFFAOYSA-N	-1	3	328.379	0.110	50	0		ECAAHM
Cn1cc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c(=O)[n-]c1=O	ZINC000253535487	244008266	/nfs/dbraw/zinc/00/82/66/244008266.db2.gz	VUHDNXBBOCEVHA-KWBADKCTSA-N	-1	3	330.344	0.123	50	0		ECAAHM
CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cc2cnc(C)[n-]c2=O)C1	ZINC000253535899	244009206	/nfs/dbraw/zinc/00/92/06/244009206.db2.gz	WPDVXYPUMMEFPT-UMSPYCQHSA-N	-1	3	346.391	0.199	50	0		ECAAHM
Cc1ncc(CC(=O)N2CCC3(C[C@H](C(=O)[O-])[N@H+](C)C3)CC2)c(=O)[n-]1	ZINC000091603295	218030535	/nfs/dbraw/zinc/03/05/35/218030535.db2.gz	YRTJAJAKVBHPHK-CYBMUJFWSA-N	-1	3	348.403	0.018	50	0		ECAAHM
Cc1ncc(CC(=O)N2CCC3(C[C@H](C(=O)[O-])[N@@H+](C)C3)CC2)c(=O)[n-]1	ZINC000091603295	218030537	/nfs/dbraw/zinc/03/05/37/218030537.db2.gz	YRTJAJAKVBHPHK-CYBMUJFWSA-N	-1	3	348.403	0.018	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC(O)(Cc2ccccc2)CC1	ZINC000091664235	218043496	/nfs/dbraw/zinc/04/34/96/218043496.db2.gz	LNQWFSMNFDJUNI-CQSZACIVSA-N	-1	3	345.399	0.571	50	0		ECAAHM
COc1ccc2c(c1)OC[C@@H](C(=O)N(CCN(C)C)CC(=O)[O-])C2	ZINC000299752430	258007092	/nfs/dbraw/zinc/00/70/92/258007092.db2.gz	UCZAXYJPCVPUOQ-ZDUSSCGKSA-N	-1	3	336.388	0.721	50	0		ECAAHM
COCCc1noc([C@@H](C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)n1	ZINC000299785316	258092416	/nfs/dbraw/zinc/09/24/16/258092416.db2.gz	XXIYFPKXPVTEOC-SECBINFHSA-N	-1	3	335.364	0.791	50	0		ECAAHM
O=c1[n-]c(N2CCOCC2)nc2c1CCN(Cc1cccnc1)CC2	ZINC000019339599	275042198	/nfs/dbraw/zinc/04/21/98/275042198.db2.gz	PVQREWLMFCTWGZ-UHFFFAOYSA-N	-1	3	341.415	0.602	50	0		ECAAHM
O=C([C@@H]1CC(=O)Nc2ccc(F)cc21)N1CCc2c(=O)[n-]cnc2C1	ZINC000072148387	280076338	/nfs/dbraw/zinc/07/63/38/280076338.db2.gz	NJOZKVHHXLJEOL-GFCCVEGCSA-N	-1	3	342.330	0.920	50	0		ECAAHM
CN1CCN([C@H]2CCN(c3nccc(N)n3)C[C@H]2CCC(=O)[O-])CC1	ZINC000095352792	290056544	/nfs/dbraw/zinc/05/65/44/290056544.db2.gz	IWNYATZHYCXTCY-KGLIPLIRSA-N	-1	3	348.451	0.366	50	0		ECAAHM
CCOC([O-])=NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O	ZINC000003516741	435974705	/nfs/dbraw/zinc/97/47/05/435974705.db2.gz	UYQAUHFGAINVOT-MRXNPFEDSA-N	-1	3	331.328	0.653	50	0		ECAAHM
CCOC(=O)[N-]C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O	ZINC000003516741	435974710	/nfs/dbraw/zinc/97/47/10/435974710.db2.gz	UYQAUHFGAINVOT-MRXNPFEDSA-N	-1	3	331.328	0.653	50	0		ECAAHM
COc1cccc(C(=O)N2CCc3c(nc(N)[n-]c3=O)C2)c1OC	ZINC000071763954	436010057	/nfs/dbraw/zinc/01/00/57/436010057.db2.gz	BXSURWUGCXFQST-UHFFFAOYSA-N	-1	3	330.344	0.568	50	0		ECAAHM
CCc1nc(C)c(CC(=O)N2CCO[C@H](C(F)(F)F)C2)c(=O)[n-]1	ZINC000071750598	436011350	/nfs/dbraw/zinc/01/13/50/436011350.db2.gz	JLUPCEIJJQEOKC-JTQLQIEISA-N	-1	3	333.310	0.973	50	0		ECAAHM
Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)C[C@H]1NC(=O)[N-]C1=O	ZINC000071839999	436017873	/nfs/dbraw/zinc/01/78/73/436017873.db2.gz	AAIBQQHBDQBDDS-DGCLKSJQSA-N	-1	3	341.371	0.835	50	0		ECAAHM
COc1cc(C2(C(=O)N3CC[C@@]4(C3)NC(=O)[N-]C4=O)CC2)ccc1C	ZINC000072290726	436043773	/nfs/dbraw/zinc/04/37/73/436043773.db2.gz	XMICZIRUAYLTHF-SFHVURJKSA-N	-1	3	343.383	0.846	50	0		ECAAHM
COCCNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000013010937	436059139	/nfs/dbraw/zinc/05/91/39/436059139.db2.gz	WDCFSAWGUGFASS-UHFFFAOYSA-N	-1	3	340.323	0.746	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N2CCN(c3nccs3)CC2)c(=O)[n-]1	ZINC000031257094	436227074	/nfs/dbraw/zinc/22/70/74/436227074.db2.gz	KQOXVNQXYFABBX-UHFFFAOYSA-N	-1	3	333.417	0.735	50	0		ECAAHM
Cc1ccc(N2C[C@H](C)N(C(=O)c3cnc[n-]c3=O)CC2=O)cc1	ZINC000082115811	436360708	/nfs/dbraw/zinc/36/07/08/436360708.db2.gz	PNUIUGQEZOSPSY-LBPRGKRZSA-N	-1	3	326.356	0.956	50	0		ECAAHM
C[C@H](O)CC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl	ZINC000084637295	436382875	/nfs/dbraw/zinc/38/28/75/436382875.db2.gz	GHSXNMACCIHVMD-QMMMGPOBSA-N	-1	3	341.838	0.793	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCCCc1nc2ccccc2o1	ZINC000092021251	436464535	/nfs/dbraw/zinc/46/45/35/436464535.db2.gz	KKNGOPBLMMDIRN-LLVKDONJSA-N	-1	3	330.344	0.865	50	0		ECAAHM
Cn1cc(C(=O)NC[C@@H]2CCOc3ccccc3C2)c(=O)[n-]c1=O	ZINC000096153641	436517257	/nfs/dbraw/zinc/51/72/57/436517257.db2.gz	OTMNWYXXWFSBTR-LLVKDONJSA-N	-1	3	329.356	0.445	50	0		ECAAHM
Cn1nc(-c2ccccc2NC(=O)c2cc(=O)[n-]c(=O)[nH]2)ccc1=O	ZINC000096025145	436503722	/nfs/dbraw/zinc/50/37/22/436503722.db2.gz	PVQFIZIPEJRSQR-UHFFFAOYSA-N	-1	3	339.311	0.076	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(C/C=C\c2ccccc2)CC1	ZINC000096297788	436529786	/nfs/dbraw/zinc/52/97/86/436529786.db2.gz	APCVWRIBQNTKMN-QZDDGCDVSA-N	-1	3	342.399	0.442	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)NCC1(c2cccc(F)c2)CCOCC1	ZINC000219769500	436696990	/nfs/dbraw/zinc/69/69/90/436696990.db2.gz	JLTXAXIIOZYFDR-UHFFFAOYSA-N	-1	3	349.362	0.542	50	0		ECAAHM
Cc1ncn(CC(=O)NCCn2[n-]c(=O)c3ccccc3c2=O)c1C	ZINC000219911883	436697699	/nfs/dbraw/zinc/69/76/99/436697699.db2.gz	LMWUIXVPSXNFAQ-UHFFFAOYSA-N	-1	3	341.371	0.320	50	0		ECAAHM
O=C([C@@H]1COc2ccccc2O1)N1CC[C@H](n2c([O-])coc2=O)C1	ZINC000225699596	436713504	/nfs/dbraw/zinc/71/35/04/436713504.db2.gz	GVMDPQZIMNVQPO-GWCFXTLKSA-N	-1	3	332.312	0.406	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCn2ccc3ccoc3c2=O)cn1C	ZINC000238865119	436755969	/nfs/dbraw/zinc/75/59/69/436755969.db2.gz	LPEYMTAWAPCFGY-UHFFFAOYSA-N	-1	3	336.373	0.615	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCCc1cnc2ncnn2c1	ZINC000238949667	436758444	/nfs/dbraw/zinc/75/84/44/436758444.db2.gz	WTSIZAIUSBKNFR-UHFFFAOYSA-N	-1	3	336.377	0.640	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N=c1sccn1Cc1ccccc1	ZINC000254837437	436848921	/nfs/dbraw/zinc/84/89/21/436848921.db2.gz	XZFPIPDUGIOYKN-UHFFFAOYSA-N	-1	3	330.369	0.577	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCc2ncnc(N(C)C)c2C1	ZINC000252467301	436830788	/nfs/dbraw/zinc/83/07/88/436830788.db2.gz	BEMYKRXSXDFLQE-UHFFFAOYSA-N	-1	3	343.435	0.568	50	0		ECAAHM
Cc1cc(=O)[n-]c([C@H](C)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1	ZINC000192625073	437682682	/nfs/dbraw/zinc/68/26/82/437682682.db2.gz	OLLCSKHMQYNUSG-KBPBESRZSA-N	-1	3	333.436	0.790	50	0		ECAAHM
Cc1noc(C)c1CCC(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000426674275	438071237	/nfs/dbraw/zinc/07/12/37/438071237.db2.gz	NLSPRZIDFRBNDA-UHFFFAOYSA-N	-1	3	346.391	0.651	50	0		ECAAHM
COC(=O)c1cn(NC(=O)c2ccccc2[O-])cc2c(=O)[nH]nc1-2	ZINC000524732979	439193596	/nfs/dbraw/zinc/19/35/96/439193596.db2.gz	HNGIYDIALHMGIL-UHFFFAOYSA-N	-1	3	328.284	0.965	50	0		ECAAHM
CCCCn1[n-]ccc1=NC(=O)CN1CCO[C@H](Cn2cccn2)C1	ZINC000618251096	440088259	/nfs/dbraw/zinc/08/82/59/440088259.db2.gz	KDNDDWNQUFUDQQ-HNNXBMFYSA-N	-1	3	346.435	0.641	50	0		ECAAHM
C[C@H](Cc1noc(C[N-]S(C)(=O)=O)n1)N(C)C(=O)OC(C)(C)C	ZINC000084640985	545712065	/nfs/dbraw/zinc/71/20/65/545712065.db2.gz	LCRIBRPUCUYEAJ-SECBINFHSA-N	-1	3	348.425	0.917	50	0		ECAAHM
CN1CC=C2C(C#N)=C(N)[C@](C#N)(C(=O)[O-])[C@H](c3cccnc3)[C@H]2C1	ZINC000230142594	545924964	/nfs/dbraw/zinc/92/49/64/545924964.db2.gz	CUHCMHSJVFTXHA-HDMKZQKVSA-N	-1	3	335.367	0.998	50	0		ECAAHM
CC(=O)Nc1nnc(SCC(=O)[N-]C2=NN=CCS2)s1	ZINC000670417519	548003855	/nfs/dbraw/zinc/00/38/55/548003855.db2.gz	LQRXMHLJOBROPP-UHFFFAOYSA-N	-1	3	330.420	0.793	50	0		ECAAHM
COc1cccc(NC(=O)CSc2nnc3[n-]c(=O)c(C)nn32)c1	ZINC000004251380	210152232	/nfs/dbraw/zinc/15/22/32/210152232.db2.gz	LSWLTEHYGAOKBF-UHFFFAOYSA-N	-1	3	346.372	0.860	50	0		ECAAHM
CN1CCN([C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)[O-])CC1	ZINC000022585089	282964202	/nfs/dbraw/zinc/96/42/02/282964202.db2.gz	OKLGWBJBHRWQLE-CYBMUJFWSA-N	-1	3	327.331	0.994	50	0		ECAAHM
N[C@]1(C(=O)[O-])CCN(Cc2cccn2S(=O)(=O)c2ccccc2)C1	ZINC000067654399	215175628	/nfs/dbraw/zinc/17/56/28/215175628.db2.gz	YQXSBILOJIAFHO-MRXNPFEDSA-N	-1	3	349.412	0.713	50	0		ECAAHM
CN1CCC(C(=O)N2CCN(C)[C@@H](C(=O)[O-])C2)(c2ccccc2)CC1	ZINC000067758433	215205896	/nfs/dbraw/zinc/20/58/96/215205896.db2.gz	QKHYAVORZHXZCL-MRXNPFEDSA-N	-1	3	345.443	0.877	50	0		ECAAHM
Cc1ccc(C2(O)CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2)nc1	ZINC000067881820	215240851	/nfs/dbraw/zinc/24/08/51/215240851.db2.gz	UPDBEXAUQASVBY-LBPRGKRZSA-N	-1	3	346.387	0.188	50	0		ECAAHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CCCN1CCCCC1=O)C2	ZINC000072127164	216018266	/nfs/dbraw/zinc/01/82/66/216018266.db2.gz	WRUIDMMVDRLXIO-UHFFFAOYSA-N	-1	3	332.404	0.756	50	0		ECAAHM
O=C(N[C@H]1CC(=O)N(C2CCCCCC2)C1)c1c[nH]c(=O)[n-]c1=O	ZINC000072156541	216045988	/nfs/dbraw/zinc/04/59/88/216045988.db2.gz	RKXYTAZKFZGUOX-JTQLQIEISA-N	-1	3	334.376	0.117	50	0		ECAAHM
O=c1cccnn1CCC[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000023137488	212353617	/nfs/dbraw/zinc/35/36/17/212353617.db2.gz	GSSRMLOTSXIGAU-UHFFFAOYSA-N	-1	3	329.328	0.890	50	0		ECAAHM
CC(=O)Nc1ccc(NC(=O)C[C@H](C(=O)[O-])N2CCN(C)CC2)cc1	ZINC000022584930	212308519	/nfs/dbraw/zinc/30/85/19/212308519.db2.gz	WJAZHQXNFYHHQO-OAHLLOKOSA-N	-1	3	348.403	0.674	50	0		ECAAHM
CNC(=O)CSc1nnc([N-]C(=O)c2cn(C)nc2OC)s1	ZINC000021011411	212199643	/nfs/dbraw/zinc/19/96/43/212199643.db2.gz	HESBBISRCYOJCT-UHFFFAOYSA-N	-1	3	342.406	0.371	50	0		ECAAHM
CN1CCN(CCCNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1	ZINC000020725247	212165916	/nfs/dbraw/zinc/16/59/16/212165916.db2.gz	BGBBZLWISHNDFR-UHFFFAOYSA-N	-1	3	329.404	0.290	50	0		ECAAHM
COc1cncc([C@@H](NC(=O)c2cc(=O)[n-]c(=O)[nH]2)[C@H]2C[C@@H](O)C2)c1	ZINC000253535272	244009441	/nfs/dbraw/zinc/00/94/41/244009441.db2.gz	NEMPQQGRVFHCOI-HNXYLICVSA-N	-1	3	346.343	0.533	50	0		ECAAHM
COc1ccc2[n-]cc(C(=O)NCCCN3CCOCC3)c(=O)c2c1	ZINC000020150834	212106873	/nfs/dbraw/zinc/10/68/73/212106873.db2.gz	DMPLQHQTBMFVHN-UHFFFAOYSA-N	-1	3	345.399	0.989	50	0		ECAAHM
CN(C)C(=O)N1C[C@@H]2CN(Cc3cccnc3N)C[C@]2(C(=O)[O-])C1	ZINC000091964475	218096006	/nfs/dbraw/zinc/09/60/06/218096006.db2.gz	GSIKPPOARKXCGU-LRDDRELGSA-N	-1	3	333.392	0.164	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)N1CCC[C@H](O)C1)CNCC2	ZINC000067804365	304217995	/nfs/dbraw/zinc/21/79/95/304217995.db2.gz	PXEOJVQDUHJNPP-QMMMGPOBSA-N	-1	3	346.430	0.237	50	0		ECAAHM
CN(C)CCNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC000006759363	210704753	/nfs/dbraw/zinc/70/47/53/210704753.db2.gz	BJWSVKTUTYLJTC-UHFFFAOYSA-N	-1	3	325.390	0.551	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-][C@H](CO)Cc2c[nH]c3ccccc23)c1	ZINC000096483480	218858966	/nfs/dbraw/zinc/85/89/66/218858966.db2.gz	VXAZEXPDOLUPOD-LBPRGKRZSA-N	-1	3	334.401	0.783	50	0		ECAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(C(C)=O)C2=O	ZINC000000122875	278086810	/nfs/dbraw/zinc/08/68/10/278086810.db2.gz	BMSLBMAGYOPAKG-HNNXBMFYSA-N	-1	3	346.368	0.735	50	0		ECAAHM
O=C(CSc1nnnn1-c1ccccc1)[N-]C1=NC(=O)CS1	ZINC000002745946	435968281	/nfs/dbraw/zinc/96/82/81/435968281.db2.gz	ORBASJOUEMYFTH-UHFFFAOYSA-N	-1	3	334.386	0.500	50	0		ECAAHM
CCc1nnc(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)s1	ZINC000003361482	435973509	/nfs/dbraw/zinc/97/35/09/435973509.db2.gz	LMMHHCZKNKLQQR-UHFFFAOYSA-N	-1	3	331.357	0.742	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CCc2csc(N3CCCC3)n2)c1	ZINC000070040393	435985980	/nfs/dbraw/zinc/98/59/80/435985980.db2.gz	WMIBQIVNCGLJJM-UHFFFAOYSA-N	-1	3	341.462	0.998	50	0		ECAAHM
C[C@@H](O)[C@H](N)C(=O)N1CCc2c(nc(-c3ccccc3)[n-]c2=O)C1	ZINC000071416049	436007292	/nfs/dbraw/zinc/00/72/92/436007292.db2.gz	REHSBPLTFXMFAM-YGRLFVJLSA-N	-1	3	328.372	0.030	50	0		ECAAHM
CCn1cc(S(=O)(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)cn1	ZINC000017066709	436097721	/nfs/dbraw/zinc/09/77/21/436097721.db2.gz	XYBOZVDOAIZWSC-VIFPVBQESA-N	-1	3	326.300	0.924	50	0		ECAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@H](OCc2cccnc2)C1	ZINC000077407504	436235627	/nfs/dbraw/zinc/23/56/27/436235627.db2.gz	KCANEEFMMLUVPE-LBPRGKRZSA-N	-1	3	330.344	0.692	50	0		ECAAHM
C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccccc2[O-])C[C@H](C)O1	ZINC000031899146	436232493	/nfs/dbraw/zinc/23/24/93/436232493.db2.gz	DZCKOPXEYYOAJS-RYUDHWBXSA-N	-1	3	342.417	0.561	50	0		ECAAHM
O=S(=O)([N-]CCOCCO)c1ccc(Br)s1	ZINC000042412966	436303324	/nfs/dbraw/zinc/30/33/24/436303324.db2.gz	BPBHNWSIHGLIHN-UHFFFAOYSA-N	-1	3	330.225	0.798	50	0		ECAAHM
O=C(Cn1cc(Cl)c(=O)[n-]c1=O)NC(=O)NCc1ccccc1	ZINC000081273976	436340269	/nfs/dbraw/zinc/34/02/69/436340269.db2.gz	HAUSCJUGOLGJRD-UHFFFAOYSA-N	-1	3	336.735	0.216	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)o1	ZINC000046672790	436398128	/nfs/dbraw/zinc/39/81/28/436398128.db2.gz	CVLUNTVVPAJRDB-JTQLQIEISA-N	-1	3	341.389	0.813	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(N2CCCCC2)nc1	ZINC000048373525	436451635	/nfs/dbraw/zinc/45/16/35/436451635.db2.gz	GMIOUQKSSQXOIJ-ZDUSSCGKSA-N	-1	3	345.403	0.676	50	0		ECAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]CCn1cncc(C)c1=O	ZINC000096119199	436513915	/nfs/dbraw/zinc/51/39/15/436513915.db2.gz	LWPQQUAHLMREAB-UHFFFAOYSA-N	-1	3	341.364	0.678	50	0		ECAAHM
COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@H](C)O	ZINC000095945063	436499276	/nfs/dbraw/zinc/49/92/76/436499276.db2.gz	VNXSGIUVPDWJSJ-WKEGUHRASA-N	-1	3	325.745	0.680	50	0		ECAAHM
CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000095941952	436500403	/nfs/dbraw/zinc/50/04/03/436500403.db2.gz	SAOKSQVDCYFHAN-SNVBAGLBSA-N	-1	3	327.811	0.994	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]C[C@H](O)c2cn(C)c3ccccc23)c1	ZINC000096098353	436512727	/nfs/dbraw/zinc/51/27/27/436512727.db2.gz	KKYFLGIFKHMMSV-AWEZNQCLSA-N	-1	3	334.401	0.924	50	0		ECAAHM
CN1CC[C@@H](CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)c2ccccc21	ZINC000108483111	436619096	/nfs/dbraw/zinc/61/90/96/436619096.db2.gz	GAEDBWMKUFNMPZ-AAEUAGOBSA-N	-1	3	330.388	0.715	50	0		ECAAHM
CC(C)NC(=O)C1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000065415396	436658961	/nfs/dbraw/zinc/65/89/61/436658961.db2.gz	YAFLVTBPXYPAQU-UHFFFAOYSA-N	-1	3	332.408	0.393	50	0		ECAAHM
Cc1cc(N)n(CC(=O)N[C@H]2C[C@H](c3cc(=O)[n-]c(C4CC4)n3)C2)n1	ZINC000222599621	436703114	/nfs/dbraw/zinc/70/31/14/436703114.db2.gz	XVYXCGWMHSBSKY-TXEJJXNPSA-N	-1	3	342.403	0.797	50	0		ECAAHM
Cc1cc(S(=O)(=O)N2CC[C@@H](n3c([O-])coc3=O)C2)ccc1F	ZINC000225703633	436713272	/nfs/dbraw/zinc/71/32/72/436713272.db2.gz	AHHXYWMQVNSXOS-SNVBAGLBSA-N	-1	3	342.348	0.876	50	0		ECAAHM
Cc1cc(C)cc(N2CCN(C(=O)C[C@H]3NC(=O)[N-]C3=O)CC2=O)c1	ZINC000067688349	436720833	/nfs/dbraw/zinc/72/08/33/436720833.db2.gz	MXTRRSGNXJPXIA-CYBMUJFWSA-N	-1	3	344.371	0.077	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]C[C@H](O)c2ccc3c(c2)OCCO3)c1	ZINC000244909736	436761079	/nfs/dbraw/zinc/76/10/79/436761079.db2.gz	ATDXIUVAPUSCJF-NSHDSACASA-N	-1	3	339.373	0.203	50	0		ECAAHM
COC(=O)Cc1n[n-]c(NC(=O)[C@H]2Cc3ccccc3N(C)C2)n1	ZINC000253426667	436845680	/nfs/dbraw/zinc/84/56/80/436845680.db2.gz	LXVJCKJVBQFDFH-NSHDSACASA-N	-1	3	329.360	0.767	50	0		ECAAHM
COC(=O)Cc1nnc(NC(=O)[C@H]2Cc3ccccc3N(C)C2)[n-]1	ZINC000253426667	436845684	/nfs/dbraw/zinc/84/56/84/436845684.db2.gz	LXVJCKJVBQFDFH-NSHDSACASA-N	-1	3	329.360	0.767	50	0		ECAAHM
COC(=O)Cc1nc(NC(=O)[C@H]2Cc3ccccc3N(C)C2)n[n-]1	ZINC000253426667	436845690	/nfs/dbraw/zinc/84/56/90/436845690.db2.gz	LXVJCKJVBQFDFH-NSHDSACASA-N	-1	3	329.360	0.767	50	0		ECAAHM
COC[C@@](C)(C[N-]S(=O)(=O)c1ccsc1C(=O)OC)OC	ZINC000575611964	438751592	/nfs/dbraw/zinc/75/15/92/438751592.db2.gz	JDLASKIEOHNCNG-GFCCVEGCSA-N	-1	3	337.419	0.865	50	0		ECAAHM
O=C(NCc1n[nH]c(=O)[n-]1)NC[C@@H]1CCN(Cc2ccccc2F)C1	ZINC000534644073	439532207	/nfs/dbraw/zinc/53/22/07/439532207.db2.gz	WNLXKQGYCVWWCS-NSHDSACASA-N	-1	3	348.382	0.971	50	0		ECAAHM
CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F	ZINC000585115638	439632255	/nfs/dbraw/zinc/63/22/55/439632255.db2.gz	LNQMEIHCVFKMJG-LURJTMIESA-N	-1	3	331.325	0.063	50	0		ECAAHM
COc1cc(C[N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)on1	ZINC000660011859	440568200	/nfs/dbraw/zinc/56/82/00/440568200.db2.gz	YINVZKNTVYZONM-UHFFFAOYSA-N	-1	3	339.373	0.864	50	0		ECAAHM
CN1C(=O)C[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1=O	ZINC000287306667	320649905	/nfs/dbraw/zinc/64/99/05/320649905.db2.gz	JTPLRJUZZHALGI-LURJTMIESA-N	-1	3	337.279	0.136	50	0		ECAAHM
COc1nc(C[N-]S(=O)(=O)c2cccc(C)c2)nc(N(C)C)n1	ZINC000575603329	546281292	/nfs/dbraw/zinc/28/12/92/546281292.db2.gz	DGHOWHVJIAVQRV-UHFFFAOYSA-N	-1	3	337.405	0.733	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1Cn2cccc2C(=O)N1C	ZINC000169778826	609745745	/nfs/dbraw/zinc/74/57/45/609745745.db2.gz	KRJMVPLIWOVSFG-LLVKDONJSA-N	-1	3	338.389	0.526	50	0		ECAAHM
COc1nc2ccccc2nc1CCC(=O)NCc1cc(=O)[n-]cn1	ZINC000082039479	612302087	/nfs/dbraw/zinc/30/20/87/612302087.db2.gz	XZGUOKVXKCAMEP-UHFFFAOYSA-N	-1	3	339.355	0.971	50	0		ECAAHM
CCOC(=O)[C@H]1CSCCN1Cc1nc2c(cnn2C)c(=O)[n-]1	ZINC000054418192	214237794	/nfs/dbraw/zinc/23/77/94/214237794.db2.gz	JWAGTBVTEVKTQO-SNVBAGLBSA-N	-1	3	337.405	0.137	50	0		ECAAHM
CCc1nnc(SCC(=O)NCCNc2nc(C)cc(=O)[n-]2)[nH]1	ZINC000055359829	214311535	/nfs/dbraw/zinc/31/15/35/214311535.db2.gz	YSVHNDUVOPHNNW-UHFFFAOYSA-N	-1	3	337.409	0.079	50	0		ECAAHM
CCc1nc(SCC(=O)NCCNc2nc(C)cc(=O)[n-]2)n[nH]1	ZINC000055359829	214311538	/nfs/dbraw/zinc/31/15/38/214311538.db2.gz	YSVHNDUVOPHNNW-UHFFFAOYSA-N	-1	3	337.409	0.079	50	0		ECAAHM
COc1ccc(OC2CCN(C(=O)C[C@H]3NC(=O)[N-]C3=O)CC2)cc1	ZINC000097915072	219059420	/nfs/dbraw/zinc/05/94/20/219059420.db2.gz	KAXDIXSYAJYUOQ-CQSZACIVSA-N	-1	3	347.371	0.663	50	0		ECAAHM
Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCNC[C@@H]1C	ZINC000126376780	222691004	/nfs/dbraw/zinc/69/10/04/222691004.db2.gz	IXHGHUWYTUFKME-LBPRGKRZSA-N	-1	3	341.415	0.893	50	0		ECAAHM
O=C(COC(=O)c1cc(=O)[n-]c(=O)[nH]1)N[C@H]1CCCc2ccccc21	ZINC000003303245	210001556	/nfs/dbraw/zinc/00/15/56/210001556.db2.gz	ATQPZQABBYGWPK-LBPRGKRZSA-N	-1	3	343.339	0.414	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)c2cn(-c3ccccc3)nn2)n1	ZINC000072133188	216022382	/nfs/dbraw/zinc/02/23/82/216022382.db2.gz	VKMMXGDUZBEYPH-UHFFFAOYSA-N	-1	3	339.359	0.501	50	0		ECAAHM
CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NCCc1cc(=O)[n-]cn1	ZINC000072144200	216031192	/nfs/dbraw/zinc/03/11/92/216031192.db2.gz	MKUFTBPJFNERHP-AWEZNQCLSA-N	-1	3	349.435	0.078	50	0		ECAAHM
C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1nnc(N)s1	ZINC000244701201	296049614	/nfs/dbraw/zinc/04/96/14/296049614.db2.gz	KCCHWTFLCQPBAS-ZCFIWIBFSA-N	-1	3	347.447	0.338	50	0		ECAAHM
CC(=O)Nc1ccc(NC(=O)C[C@@H](C(=O)[O-])N2CCN(C)CC2)cc1	ZINC000022584926	212308200	/nfs/dbraw/zinc/30/82/00/212308200.db2.gz	WJAZHQXNFYHHQO-HNNXBMFYSA-N	-1	3	348.403	0.674	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N[C@H](Cn1ccnc1)c1ccccc1	ZINC000216164548	241170333	/nfs/dbraw/zinc/17/03/33/241170333.db2.gz	IAYHZUGZQKYCMO-CYBMUJFWSA-N	-1	3	327.344	0.292	50	0		ECAAHM
Cc1nc(C)c(CC(=O)NCCCn2c(C)cccc2=O)c(=O)[n-]1	ZINC000215584608	241134279	/nfs/dbraw/zinc/13/42/79/241134279.db2.gz	ALIDRKDWHCJEOS-UHFFFAOYSA-N	-1	3	330.388	0.606	50	0		ECAAHM
CCN1C[C@H](NC(=O)c2c[n-]c3ccc(OC)cc3c2=O)[C@@H](OC)C1	ZINC000219274261	241371864	/nfs/dbraw/zinc/37/18/64/241371864.db2.gz	KBBWBJMFBSPXHS-HOTGVXAUSA-N	-1	3	345.399	0.986	50	0		ECAAHM
CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000077387980	216890299	/nfs/dbraw/zinc/89/02/99/216890299.db2.gz	OGVNPRAGOYZUNB-UHFFFAOYSA-N	-1	3	328.288	0.193	50	0		ECAAHM
Cc1nn(CCNC(=O)CC[C@H]2NC(=O)[N-]C2=O)c(C)c1Cl	ZINC000091603878	218030642	/nfs/dbraw/zinc/03/06/42/218030642.db2.gz	QXHVYFQSOIARNP-SECBINFHSA-N	-1	3	327.772	0.258	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CC(OCc2ccccc2F)C1	ZINC000091908144	218087029	/nfs/dbraw/zinc/08/70/29/218087029.db2.gz	KCKUCUYJNVIRPC-CYBMUJFWSA-N	-1	3	335.335	0.541	50	0		ECAAHM
Nc1cc(=O)[n-]c(CCNC(=O)[C@H](c2cccnc2)N2CCCC2)n1	ZINC000095389135	218320521	/nfs/dbraw/zinc/32/05/21/218320521.db2.gz	CTGWISLZQUBJFM-INIZCTEOSA-N	-1	3	342.403	0.243	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])CC1=O	ZINC000377118567	257929798	/nfs/dbraw/zinc/92/97/98/257929798.db2.gz	DNAUKOFEQLTDIK-YNEHKIRRSA-N	-1	3	325.409	0.251	50	0		ECAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)C(=O)c1cccnc1)CC2	ZINC000299790038	258096049	/nfs/dbraw/zinc/09/60/49/258096049.db2.gz	ALHYJHQUGHFTAK-UHFFFAOYSA-N	-1	3	341.371	0.453	50	0		ECAAHM
C[C@@H](CCC(=O)NCc1cccc(-c2nnn[n-]2)c1)N1CCOCC1	ZINC000299802745	258105553	/nfs/dbraw/zinc/10/55/53/258105553.db2.gz	OMBNAFWEDRFRJZ-ZDUSSCGKSA-N	-1	3	344.419	0.984	50	0		ECAAHM
C[C@@H](CCC(=O)NCc1cccc(-c2nn[n-]n2)c1)N1CCOCC1	ZINC000299802745	258105554	/nfs/dbraw/zinc/10/55/54/258105554.db2.gz	OMBNAFWEDRFRJZ-ZDUSSCGKSA-N	-1	3	344.419	0.984	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NC1CCN(c2ccccc2)CC1	ZINC000053264335	132187414	/nfs/dbraw/zinc/18/74/14/132187414.db2.gz	WLGLTOWRVOBIMU-CQSZACIVSA-N	-1	3	330.388	0.760	50	0		ECAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(F)ccc1N(C)C2=O	ZINC000000523807	278086942	/nfs/dbraw/zinc/08/69/42/278086942.db2.gz	WDWUSCVUHACMJC-AWEZNQCLSA-N	-1	3	336.348	0.957	50	0		ECAAHM
CN1CC[C@H](Nc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1	ZINC000096135765	290226601	/nfs/dbraw/zinc/22/66/01/290226601.db2.gz	BONVXJLBEJLPCF-LBPRGKRZSA-N	-1	3	349.435	0.791	50	0		ECAAHM
COCc1c(C)onc1C(=O)N1CCc2c(nc(N(C)C)[n-]c2=O)C1	ZINC000071614835	436006403	/nfs/dbraw/zinc/00/64/03/436006403.db2.gz	LYUVBEFTYPMERH-UHFFFAOYSA-N	-1	3	347.375	0.477	50	0		ECAAHM
CCOC(=O)[C@@H](CC)Sc1nc2c(cnn2CCO)c(=O)[n-]1	ZINC000007418145	436012710	/nfs/dbraw/zinc/01/27/10/436012710.db2.gz	YJIWPEBUBYFHEB-SECBINFHSA-N	-1	3	326.378	0.546	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCC[C@@H](C)C2)cn1C	ZINC000071853339	436018651	/nfs/dbraw/zinc/01/86/51/436018651.db2.gz	FVDQWZVQJAAWDY-PWSUYJOCSA-N	-1	3	328.438	0.702	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N2CCN(c3cnccn3)CC2)c(=O)[n-]1	ZINC000031287201	436228186	/nfs/dbraw/zinc/22/81/86/436228186.db2.gz	DJGGXPVRNYIMIT-UHFFFAOYSA-N	-1	3	328.376	0.068	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCCN1CCc2ccccc2C1	ZINC000045918405	436380993	/nfs/dbraw/zinc/38/09/93/436380993.db2.gz	LEPRSGPXWFNYRX-CQSZACIVSA-N	-1	3	330.388	0.149	50	0		ECAAHM
Cc1ccc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c([O-])c1	ZINC000058266407	436622461	/nfs/dbraw/zinc/62/24/61/436622461.db2.gz	WYKZGQVKUBTCOI-LLVKDONJSA-N	-1	3	340.401	0.076	50	0		ECAAHM
Cn1ncc2c1nc(CN1Cc3ccccc3C[C@H]1C(N)=O)[n-]c2=O	ZINC000065412792	436660006	/nfs/dbraw/zinc/66/00/06/436660006.db2.gz	AWZDSRDJZKBTPA-ZDUSSCGKSA-N	-1	3	338.371	0.069	50	0		ECAAHM
O=C(NCCC1=CCCN(Cc2cc(=O)[n-]c(=O)[nH]2)C1)N1CCCC1	ZINC000065383474	436657165	/nfs/dbraw/zinc/65/71/65/436657165.db2.gz	CKQWUGXNQIYVQE-UHFFFAOYSA-N	-1	3	347.419	0.803	50	0		ECAAHM
Cn1cc([C@H](NC(=O)c2ccc3n[n-]nc3c2)[C@H]2C[C@@H](O)C2)cn1	ZINC000219881504	436697541	/nfs/dbraw/zinc/69/75/41/436697541.db2.gz	QKBZGWOFPIHWTO-IXPVHAAZSA-N	-1	3	326.360	0.933	50	0		ECAAHM
Cc1cc(=O)[n-]c(CCNC(=O)CCS(=O)(=O)c2ccccc2)n1	ZINC000223218265	436705313	/nfs/dbraw/zinc/70/53/13/436705313.db2.gz	SIPNKWDWCRWJJG-UHFFFAOYSA-N	-1	3	349.412	0.601	50	0		ECAAHM
COc1ccccc1S(=O)(=O)N1CC[C@H](n2c([O-])coc2=O)C1	ZINC000225703558	436713537	/nfs/dbraw/zinc/71/35/37/436713537.db2.gz	OLMGYPNJVNIGPB-JTQLQIEISA-N	-1	3	340.357	0.437	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCO[C@H](Cn2cccn2)C1	ZINC000255075270	436849187	/nfs/dbraw/zinc/84/91/87/436849187.db2.gz	JEFFIIBMVQFKEG-AWEZNQCLSA-N	-1	3	332.408	0.251	50	0		ECAAHM
CCCc1cc(C(=O)N2CCN(c3cc(=O)[n-]c(N)n3)CC2)[nH]n1	ZINC000426596695	438067331	/nfs/dbraw/zinc/06/73/31/438067331.db2.gz	ZVAMOZJRSCYVKW-UHFFFAOYSA-N	-1	3	331.380	0.402	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2[nH]nc3c2CCCC3)cn1	ZINC000408523860	438582890	/nfs/dbraw/zinc/58/28/90/438582890.db2.gz	VQRSJOSBFHRPJC-UHFFFAOYSA-N	-1	3	349.416	0.522	50	0		ECAAHM
COc1c(F)c(F)cc(C(=O)NCCn2c([O-])coc2=O)c1F	ZINC000575615665	438752126	/nfs/dbraw/zinc/75/21/26/438752126.db2.gz	HAALFPKLXNMOGZ-UHFFFAOYSA-N	-1	3	332.234	0.821	50	0		ECAAHM
COc1c[n-]c(C(=O)Nc2ccc3c(c2)OCC(=O)N3C)cc1=O	ZINC000524733230	439192578	/nfs/dbraw/zinc/19/25/78/439192578.db2.gz	AINANXPOAFFDDX-UHFFFAOYSA-N	-1	3	329.312	0.991	50	0		ECAAHM
CCc1ccc([C@@H](COC)[N-]S(=O)(=O)C[C@H]2CN(C)CCO2)o1	ZINC000585115734	439632533	/nfs/dbraw/zinc/63/25/33/439632533.db2.gz	QHMYMSFATASDOE-ZIAGYGMSSA-N	-1	3	346.449	0.780	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CCn2cc(-c3cccnc3)cn2)c1	ZINC000585148421	439635123	/nfs/dbraw/zinc/63/51/23/439635123.db2.gz	UILVJBLNKNPIOU-UHFFFAOYSA-N	-1	3	332.389	0.657	50	0		ECAAHM
NC(=O)CN1CCC[C@H](C(=O)Nc2ccc(Oc3nnn[n-]3)cc2)C1	ZINC000952968495	612139388	/nfs/dbraw/zinc/13/93/88/612139388.db2.gz	NEHBKVLRZOZRAF-JTQLQIEISA-N	-1	3	345.363	0.128	50	0		ECAAHM
Cc1nc(CN2CCN(C(=O)Cc3c[nH]cn3)C[C@H](C(=O)[O-])C2)co1	ZINC000097766626	219055612	/nfs/dbraw/zinc/05/56/12/219055612.db2.gz	WEEWDOZQSLXIBL-GFCCVEGCSA-N	-1	3	347.375	0.294	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)N1CCSCC1)CNCC2	ZINC000067833326	215223584	/nfs/dbraw/zinc/22/35/84/215223584.db2.gz	GJNGRDZGHWDWEF-UHFFFAOYSA-N	-1	3	348.471	0.830	50	0		ECAAHM
C[C@@H](Cn1cnc2ccccc2c1=O)NCCn1[n-]c(=O)ccc1=O	ZINC000067982001	215266047	/nfs/dbraw/zinc/26/60/47/215266047.db2.gz	MDCWLTVXZVPFDM-LBPRGKRZSA-N	-1	3	341.371	0.337	50	0		ECAAHM
CN(C)[C@H](C(=O)N1CCc2c(nc(N)[n-]c2=O)C1)c1ccccc1F	ZINC000072128411	216019502	/nfs/dbraw/zinc/01/95/02/216019502.db2.gz	KCPSGDHUAZVQGV-AWEZNQCLSA-N	-1	3	345.378	0.679	50	0		ECAAHM
Cc1ccc([C@@H](C(=O)N2CCc3c(nc(N)[n-]c3=O)C2)N(C)C)cc1	ZINC000072129531	216020506	/nfs/dbraw/zinc/02/05/06/216020506.db2.gz	MBEPUHWTRBHEJJ-HNNXBMFYSA-N	-1	3	341.415	0.848	50	0		ECAAHM
O=C(c1c[n-]c2cc(Cl)ccc2c1=O)N1CC[C@H](CO)[C@H](O)C1	ZINC000072135141	216023988	/nfs/dbraw/zinc/02/39/88/216023988.db2.gz	KFCLOUYHEWOHBB-YMTOWFKASA-N	-1	3	336.775	0.997	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@H](Nc2cccc(F)c2)C1	ZINC000072139150	216025818	/nfs/dbraw/zinc/02/58/18/216025818.db2.gz	OKOHHFPHVARBQF-ZDUSSCGKSA-N	-1	3	334.351	0.780	50	0		ECAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1	ZINC000072146396	216033485	/nfs/dbraw/zinc/03/34/85/216033485.db2.gz	RWXKNNVEFNYCDY-GFCCVEGCSA-N	-1	3	348.403	0.046	50	0		ECAAHM
CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000022521449	212304569	/nfs/dbraw/zinc/30/45/69/212304569.db2.gz	LRAXOKDUKRKZAD-UHFFFAOYSA-N	-1	3	341.433	0.737	50	0		ECAAHM
CN(Cc1nnc(-c2ccccc2)o1)C(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000216250044	241177461	/nfs/dbraw/zinc/17/74/61/241177461.db2.gz	ZJXWLGWFEZFFQR-JTQLQIEISA-N	-1	3	329.316	0.293	50	0		ECAAHM
CSCc1nc(CCNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cs1	ZINC000219533549	241394913	/nfs/dbraw/zinc/39/49/13/241394913.db2.gz	CPGYGCPEOXHJJH-VIFPVBQESA-N	-1	3	342.446	0.653	50	0		ECAAHM
CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cccc2nonc21	ZINC000012321315	211346256	/nfs/dbraw/zinc/34/62/56/211346256.db2.gz	OMRRPDPQSDWHOH-UHFFFAOYSA-N	-1	3	326.378	0.663	50	0		ECAAHM
Cc1noc(C)c1CN1C[C@H]2CN(S(C)(=O)=O)C[C@@]2(C(=O)[O-])C1	ZINC000091725750	218054325	/nfs/dbraw/zinc/05/43/25/218054325.db2.gz	QWFXQJHHDDDEHD-FZMZJTMJSA-N	-1	3	343.405	0.069	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@@H]2Cc3ccccc3CN2C)n1	ZINC000095381153	218313956	/nfs/dbraw/zinc/31/39/56/218313956.db2.gz	JFJREBBEEOSHNR-HNNXBMFYSA-N	-1	3	341.415	0.663	50	0		ECAAHM
CO[C@]12CCN(Cc3nc4c(cnn4C)c(=O)[n-]3)[C@H]1C[C@@H](O)CC2	ZINC000299756069	258074113	/nfs/dbraw/zinc/07/41/13/258074113.db2.gz	CHRQQTPLABCXCQ-KNHMANMVSA-N	-1	3	333.392	0.573	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NC1CCN(c2ccc(F)cc2)CC1	ZINC000053259971	132187436	/nfs/dbraw/zinc/18/74/36/132187436.db2.gz	RLFGCOHSPZASBJ-AWEZNQCLSA-N	-1	3	348.378	0.899	50	0		ECAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCOCC3)cc(C(C)C)nc21	ZINC000032032768	288673638	/nfs/dbraw/zinc/67/36/38/288673638.db2.gz	KZDXYOZBLVQPOP-UHFFFAOYSA-N	-1	3	346.387	0.701	50	0		ECAAHM
COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)[C@H](CO)SC	ZINC000341008534	297586832	/nfs/dbraw/zinc/58/68/32/297586832.db2.gz	BVZCFYKEEZZRDP-RQJHMYQMSA-N	-1	3	340.448	0.320	50	0		ECAAHM
CCOC([O-])=NC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O	ZINC000003480404	435974192	/nfs/dbraw/zinc/97/41/92/435974192.db2.gz	PXCJQRYHLAIJLQ-GFCCVEGCSA-N	-1	3	333.344	0.812	50	0		ECAAHM
CCOC(=O)[N-]C(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O	ZINC000003480404	435974197	/nfs/dbraw/zinc/97/41/97/435974197.db2.gz	PXCJQRYHLAIJLQ-GFCCVEGCSA-N	-1	3	333.344	0.812	50	0		ECAAHM
CCCc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	ZINC000012552231	436050409	/nfs/dbraw/zinc/05/04/09/436050409.db2.gz	TWJJSOXHNZLEJU-UHFFFAOYSA-N	-1	3	337.401	0.837	50	0		ECAAHM
Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[C@H]1NC(=O)[N-]C1=O	ZINC000012798490	436056600	/nfs/dbraw/zinc/05/66/00/436056600.db2.gz	UUZCJROWSNLGOA-LLVKDONJSA-N	-1	3	332.360	0.298	50	0		ECAAHM
CCOC(CNC(=O)c1c([O-])nc2cc(C)ccn2c1=O)OCC	ZINC000016689957	436094947	/nfs/dbraw/zinc/09/49/47/436094947.db2.gz	RSBSPICGROFIBU-UHFFFAOYSA-N	-1	3	335.360	0.837	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc(C)[nH]c2=O)s1	ZINC000075119125	436152059	/nfs/dbraw/zinc/15/20/59/436152059.db2.gz	SEGJBNFMGRYCQK-UHFFFAOYSA-N	-1	3	341.414	0.583	50	0		ECAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCCN(c2ccc(F)cc2)CC1	ZINC000077408339	436236184	/nfs/dbraw/zinc/23/61/84/436236184.db2.gz	NZAGOLZVWRJADW-UHFFFAOYSA-N	-1	3	332.335	0.967	50	0		ECAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000077453574	436239309	/nfs/dbraw/zinc/23/93/09/436239309.db2.gz	FOPUPSVEFNSRBK-UHFFFAOYSA-N	-1	3	348.790	0.675	50	0		ECAAHM
C[C@@H](OC(=O)CC[C@@H]1NC(=O)[N-]C1=O)C(=O)Nc1ccc(F)cc1	ZINC000032515501	436240025	/nfs/dbraw/zinc/24/00/25/436240025.db2.gz	VSWJWVKHKNRECB-KCJUWKMLSA-N	-1	3	337.307	0.684	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N(C)Cc2ccc(C(N)=O)cc2)c(=O)[n-]1	ZINC000031284495	436227748	/nfs/dbraw/zinc/22/77/48/436227748.db2.gz	JCIZDYHJNMYEBC-UHFFFAOYSA-N	-1	3	328.372	0.687	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1cscn1	ZINC000033138962	436251083	/nfs/dbraw/zinc/25/10/83/436251083.db2.gz	ODHLVZFAAFYTMG-QMMMGPOBSA-N	-1	3	344.418	0.731	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CN(CC(C)C)CCO1	ZINC000044869267	436350846	/nfs/dbraw/zinc/35/08/46/436350846.db2.gz	WESUTQWHBBTCOJ-CYBMUJFWSA-N	-1	3	331.438	0.927	50	0		ECAAHM
COc1ccc2c(c1)[n-]cc(C(=O)NCC(=O)N1CCCC1)c2=O	ZINC000048252782	436446388	/nfs/dbraw/zinc/44/63/88/436446388.db2.gz	VGPDGNHASPJSLC-UHFFFAOYSA-N	-1	3	329.356	0.889	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c(=O)[n-]1	ZINC000095366092	436492131	/nfs/dbraw/zinc/49/21/31/436492131.db2.gz	NRUBYDRSAHBWCP-ZDUSSCGKSA-N	-1	3	340.383	0.851	50	0		ECAAHM
CCN1CCN(C[C@H](C)C[N-]S(=O)(=O)c2cncc(F)c2)CC1	ZINC000095961884	436501455	/nfs/dbraw/zinc/50/14/55/436501455.db2.gz	BAAPZKIUDFBJFZ-CYBMUJFWSA-N	-1	3	344.456	0.773	50	0		ECAAHM
Cc1nn(C)c(C)c1CCCNC(=O)c1cnc2c(cnn2C)c1[O-]	ZINC000097080490	436538392	/nfs/dbraw/zinc/53/83/92/436538392.db2.gz	MFJUCKDGQVJZED-UHFFFAOYSA-N	-1	3	342.403	0.975	50	0		ECAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@H](C)O)cc(C3CC3)nc21	ZINC000097177805	436540631	/nfs/dbraw/zinc/54/06/31/436540631.db2.gz	YWINMEAXGLTLHS-QMMMGPOBSA-N	-1	3	332.360	0.093	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCO[C@H](c3nccs3)C1)[n-]c2=O	ZINC000097200032	436541645	/nfs/dbraw/zinc/54/16/45/436541645.db2.gz	HZQYHFFCBMROEN-JTQLQIEISA-N	-1	3	332.389	0.687	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)[C@H](C)CC(C)C)cn1C	ZINC000058394019	436625274	/nfs/dbraw/zinc/62/52/74/436625274.db2.gz	QSAADLNIKPOXAY-LLVKDONJSA-N	-1	3	330.454	0.900	50	0		ECAAHM
COCC[N-]S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1	ZINC000065128917	436651918	/nfs/dbraw/zinc/65/19/18/436651918.db2.gz	WRDHTBRBDGAUOE-UHFFFAOYSA-N	-1	3	329.403	0.434	50	0		ECAAHM
Cc1nnc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2cccs2)[nH]1	ZINC000220693828	436699329	/nfs/dbraw/zinc/69/93/29/436699329.db2.gz	WYHWPBGFIAPQLL-SSDOTTSWSA-N	-1	3	329.407	0.330	50	0		ECAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)NCc1ccccc1-n1ccnc1	ZINC000220668350	436699521	/nfs/dbraw/zinc/69/95/21/436699521.db2.gz	OKNBXORJDIBEQS-UHFFFAOYSA-N	-1	3	325.328	0.108	50	0		ECAAHM
O=C(c1ncccc1[O-])N1CCC(N2CCN(CCO)CC2)CC1	ZINC000223716214	436707137	/nfs/dbraw/zinc/70/71/37/436707137.db2.gz	BSAJKIGHIHUYFY-UHFFFAOYSA-N	-1	3	334.420	0.002	50	0		ECAAHM
CC(C)c1nc(CCN(C)C(=O)NCCc2nc(N)cc(=O)[n-]2)no1	ZINC000426517800	438061862	/nfs/dbraw/zinc/06/18/62/438061862.db2.gz	GRINJXLOQNWKFO-UHFFFAOYSA-N	-1	3	349.395	0.697	50	0		ECAAHM
CCCc1nnsc1C(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000426627614	438067917	/nfs/dbraw/zinc/06/79/17/438067917.db2.gz	CVRKRLZIORTBKK-UHFFFAOYSA-N	-1	3	349.420	0.531	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CC1CCN(C(=O)N(C)C)CC1	ZINC000390828419	438433813	/nfs/dbraw/zinc/43/38/13/438433813.db2.gz	AXUBMBPOQANSRL-UHFFFAOYSA-N	-1	3	344.437	0.963	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]C[C@@](O)(c2ccoc2)c2ccco2)c1	ZINC000390827452	438435051	/nfs/dbraw/zinc/43/50/51/438435051.db2.gz	XYGOLQOEZKCDSP-CQSZACIVSA-N	-1	3	337.357	0.821	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN[C@H]1CCc2nc(CC)nn2C1	ZINC000588079237	438815877	/nfs/dbraw/zinc/81/58/77/438815877.db2.gz	JWMQPXCEZGPXLV-LBPRGKRZSA-N	-1	3	331.424	0.412	50	0		ECAAHM
C[C@H](O)CN1CCN(CC(=O)N=c2cc[n-]n2[C@@H](C)C2CC2)C[C@H]1C	ZINC000588080559	438817959	/nfs/dbraw/zinc/81/79/59/438817959.db2.gz	HONCRPNMOVYTPM-ILXRZTDVSA-N	-1	3	349.479	0.601	50	0		ECAAHM
Cc1nnc2n1CCN(CC(=O)N=c1cc[n-]n1[C@H](C)C1CC1)C2	ZINC000588080477	438818038	/nfs/dbraw/zinc/81/80/38/438818038.db2.gz	GQPPSUOCAZCVGB-LLVKDONJSA-N	-1	3	329.408	0.630	50	0		ECAAHM
C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN[C@H]1CCc2ncnn2C1	ZINC000588084848	438818596	/nfs/dbraw/zinc/81/85/96/438818596.db2.gz	FBBZSZGPAGVQNX-AAEUAGOBSA-N	-1	3	329.408	0.411	50	0		ECAAHM
CCn1cnnc1C[N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1	ZINC000489093346	439213287	/nfs/dbraw/zinc/21/32/87/439213287.db2.gz	AWLWZCWSHUPCLF-UHFFFAOYSA-N	-1	3	344.437	0.841	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2c(C)n[nH]c2C)cn1	ZINC000569228680	439315808	/nfs/dbraw/zinc/31/58/08/439315808.db2.gz	PRCOUGOJFNHXOC-UHFFFAOYSA-N	-1	3	337.405	0.302	50	0		ECAAHM
CN1CC=C2C(C#N)=C(N)[C@](C#N)(C(=O)[O-])[C@H](c3cccnc3)[C@@H]2C1	ZINC000230142590	545924737	/nfs/dbraw/zinc/92/47/37/545924737.db2.gz	CUHCMHSJVFTXHA-IIDMSEBBSA-N	-1	3	335.367	0.998	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)NCCCCCC(C)=O)cn1	ZINC000818027206	587397799	/nfs/dbraw/zinc/39/77/99/587397799.db2.gz	VQIJOVUFVSIBIR-UHFFFAOYSA-N	-1	3	327.406	0.869	50	0		ECAAHM
Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)cc1C	ZINC000054535462	214243277	/nfs/dbraw/zinc/24/32/77/214243277.db2.gz	AVZFRWSKTLUFRL-UHFFFAOYSA-N	-1	3	337.401	0.666	50	0		ECAAHM
CN1CC[C@H](CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)c2ccccc21	ZINC000097915159	219059737	/nfs/dbraw/zinc/05/97/37/219059737.db2.gz	GAEDBWMKUFNMPZ-DGCLKSJQSA-N	-1	3	330.388	0.715	50	0		ECAAHM
COc1ccc(NS(=O)(=O)c2c[nH]c(=O)[n-]c2=O)cc1OC	ZINC000004270279	210156568	/nfs/dbraw/zinc/15/65/68/210156568.db2.gz	LXPOFHSPWCSJDB-UHFFFAOYSA-N	-1	3	327.318	0.294	50	0		ECAAHM
C[C@@H]1CN(Cc2cc(=O)n3nc[n-]c3n2)CC[C@@]1(O)C1CCOCC1	ZINC000102291724	219192707	/nfs/dbraw/zinc/19/27/07/219192707.db2.gz	ANUNZVWIKKZLNC-PXAZEXFGSA-N	-1	3	347.419	0.417	50	0		ECAAHM
COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCCNC2=O)cc1OC	ZINC000040527153	213335822	/nfs/dbraw/zinc/33/58/22/213335822.db2.gz	YMCTYPDONKRLJM-SNVBAGLBSA-N	-1	3	346.380	0.790	50	0		ECAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@@](CNC(C)=O)(c2ccccc2)S1	ZINC000000378213	209558875	/nfs/dbraw/zinc/55/88/75/209558875.db2.gz	WQGDTRYRBSDLRR-OAHLLOKOSA-N	-1	3	334.401	0.978	50	0		ECAAHM
CN(C)[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)[O-])C[C@@H]1O	ZINC000215135182	241108168	/nfs/dbraw/zinc/10/81/68/241108168.db2.gz	WPDLUUJFSKZUES-STQMWFEESA-N	-1	3	328.796	0.910	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@H]1CCc1ccccn1	ZINC000215296226	241118053	/nfs/dbraw/zinc/11/80/53/241118053.db2.gz	KLJBFIPKDFHPFQ-AWEZNQCLSA-N	-1	3	330.388	0.947	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCSC	ZINC000253433286	243989710	/nfs/dbraw/zinc/98/97/10/243989710.db2.gz	VFBKUJVZXUHEAG-UHFFFAOYSA-N	-1	3	338.476	0.578	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1cccc(N2CCCC2)c1	ZINC000091535886	218019346	/nfs/dbraw/zinc/01/93/46/218019346.db2.gz	JXVPDNBNEPEZDF-CQSZACIVSA-N	-1	3	330.388	0.891	50	0		ECAAHM
CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000011702097	211238659	/nfs/dbraw/zinc/23/86/59/211238659.db2.gz	QJBFWLGZAYQNPZ-LBPRGKRZSA-N	-1	3	346.430	0.317	50	0		ECAAHM
COc1ccccc1NC(=O)[C@H](C)OC(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000008851104	211011073	/nfs/dbraw/zinc/01/10/73/211011073.db2.gz	CGNZQORDPLWFIF-ONGXEEELSA-N	-1	3	349.343	0.554	50	0		ECAAHM
O=S1(=O)CC[C@@H](n2nc(C3CCOCC3)nc2-c2cn[n-]n2)C1	ZINC000097243909	219004412	/nfs/dbraw/zinc/00/44/12/219004412.db2.gz	IQKOGFUDRPFCCH-SNVBAGLBSA-N	-1	3	338.393	0.317	50	0		ECAAHM
O=C([O-])c1cnn2cc(CN3C[C@H](O)[C@@H](N4CCCCC4)C3)cnc12	ZINC000097594893	304280127	/nfs/dbraw/zinc/28/01/27/304280127.db2.gz	XTIHPSMZVBMJGP-GJZGRUSLSA-N	-1	3	345.403	0.459	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1=O	ZINC000299749654	258007529	/nfs/dbraw/zinc/00/75/29/258007529.db2.gz	LEYWQPZXSKCWGA-GZBFAFLISA-N	-1	3	339.436	0.545	50	0		ECAAHM
CCOC([O-])=NC(=O)c1cn(-c2ccc(OC)cc2)c(=O)[nH]c1=O	ZINC000001400768	435958554	/nfs/dbraw/zinc/95/85/54/435958554.db2.gz	FFSBCQMRUNTXSG-UHFFFAOYSA-N	-1	3	333.300	0.421	50	0		ECAAHM
COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000069845229	435971772	/nfs/dbraw/zinc/97/17/72/435971772.db2.gz	XZUKHHZBBCFMCU-AOOOYVTPSA-N	-1	3	343.405	0.560	50	0		ECAAHM
CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000003232761	435973761	/nfs/dbraw/zinc/97/37/61/435973761.db2.gz	SOESABDOHWIYHU-UHFFFAOYSA-N	-1	3	331.328	0.269	50	0		ECAAHM
Nc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000000143548	435949785	/nfs/dbraw/zinc/94/97/85/435949785.db2.gz	GCQZFVAHUZIDRP-UHFFFAOYSA-N	-1	3	327.387	0.717	50	0		ECAAHM
C[C@H](C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O)N1CCc2ccccc2C1	ZINC000072290754	436042510	/nfs/dbraw/zinc/04/25/10/436042510.db2.gz	AFBKMQQKKQIQTL-XIKOKIGWSA-N	-1	3	342.399	0.244	50	0		ECAAHM
CNC(=O)CN1CCC([N-]S(=O)(=O)c2cc(F)cc(F)c2)CC1	ZINC000026976727	436171326	/nfs/dbraw/zinc/17/13/26/436171326.db2.gz	IMYHTYAEECXOQO-UHFFFAOYSA-N	-1	3	347.387	0.454	50	0		ECAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC1CCCC1	ZINC000033054565	436250923	/nfs/dbraw/zinc/25/09/23/436250923.db2.gz	WWKYPBZRMQEQDE-UHFFFAOYSA-N	-1	3	330.182	0.606	50	0		ECAAHM
O=C(CCC(=O)N1CCNC(=O)C1)[N-]C1=N[C@H]2CCCC[C@H]2S1	ZINC000041127891	436268484	/nfs/dbraw/zinc/26/84/84/436268484.db2.gz	IDJJTGZUIFUBCX-WDEREUQCSA-N	-1	3	338.433	0.255	50	0		ECAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1CCS(=O)(=O)C1	ZINC000044457606	436342239	/nfs/dbraw/zinc/34/22/39/436342239.db2.gz	JNTSVJVXROJSJO-SECBINFHSA-N	-1	3	337.394	0.547	50	0		ECAAHM
Cc1cc(C)n(-c2ccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cn2)n1	ZINC000048841303	436460083	/nfs/dbraw/zinc/46/00/83/436460083.db2.gz	VGCWFHVPJOMOAG-NSHDSACASA-N	-1	3	328.332	0.421	50	0		ECAAHM
Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCN(C)C[C@H]1C	ZINC000089499567	436412371	/nfs/dbraw/zinc/41/23/71/436412371.db2.gz	CRMWUMFHIGXAOV-GFCCVEGCSA-N	-1	3	341.415	0.845	50	0		ECAAHM
CCc1nn(C)c(NC(=O)NCCNc2nc(C)cc(=O)[n-]2)c1C	ZINC000096131549	436514956	/nfs/dbraw/zinc/51/49/56/436514956.db2.gz	UXMXPMGQOHTAMF-UHFFFAOYSA-N	-1	3	333.396	0.916	50	0		ECAAHM
Cn1ccnc1CCNC(=O)CC[N-]S(=O)(=O)c1cccs1	ZINC000058312838	436623883	/nfs/dbraw/zinc/62/38/83/436623883.db2.gz	JBJRACZLODDIQP-UHFFFAOYSA-N	-1	3	342.446	0.509	50	0		ECAAHM
Cc1ccc(N2CCN(C)[C@]3(C2)CCC(=O)N(CC(=O)[O-])CC3)nn1	ZINC000107635747	436613742	/nfs/dbraw/zinc/61/37/42/436613742.db2.gz	YRFRQGHFSCBSAR-QGZVFWFLSA-N	-1	3	347.419	0.373	50	0		ECAAHM
Cn1ccnc1[C@@H](NC(=O)c1cc(-n2cnnn2)ccc1[O-])C1CC1	ZINC000223698962	436706863	/nfs/dbraw/zinc/70/68/63/436706863.db2.gz	RKVDXJQXLKXDIP-AWEZNQCLSA-N	-1	3	339.359	0.983	50	0		ECAAHM
CNC(=O)CN1CCC(NC(=O)c2c[n-]c3ccccc3c2=O)CC1	ZINC000065458119	436662983	/nfs/dbraw/zinc/66/29/83/436662983.db2.gz	CCLBEBUCRSFKNH-UHFFFAOYSA-N	-1	3	342.399	0.468	50	0		ECAAHM
O=S(=O)([N-]C[C@H]1CCCO1)[C@@H]1CS(=O)(=O)c2ccccc21	ZINC000065605890	436669343	/nfs/dbraw/zinc/66/93/43/436669343.db2.gz	WDBOQOLFEOGADE-ZWNOBZJWSA-N	-1	3	331.415	0.613	50	0		ECAAHM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)ccc1F	ZINC000153582934	436757938	/nfs/dbraw/zinc/75/79/38/436757938.db2.gz	PIYQVEJQUBMNMO-UWVGGRQHSA-N	-1	3	329.397	0.556	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000255888791	436855675	/nfs/dbraw/zinc/85/56/75/436855675.db2.gz	IUNTVVGSXCOXOX-OAHLLOKOSA-N	-1	3	346.435	0.559	50	0		ECAAHM
Cc1cccc(Cn2[n-]ccc2=NC(=O)CN2CC[C@@H](C(N)=O)C2)c1	ZINC000252497841	436835832	/nfs/dbraw/zinc/83/58/32/436835832.db2.gz	CZBJDARXISTHMZ-OAHLLOKOSA-N	-1	3	341.415	0.407	50	0		ECAAHM
C[C@H]1c2ccccc2CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000176470913	437143523	/nfs/dbraw/zinc/14/35/23/437143523.db2.gz	OBTSHPUNMQFAFX-LBPRGKRZSA-N	-1	3	348.428	0.844	50	0		ECAAHM
Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2[O-])c1	ZINC000340327792	437627559	/nfs/dbraw/zinc/62/75/59/437627559.db2.gz	FKDVVEGBBJEBBR-UHFFFAOYSA-N	-1	3	344.780	0.696	50	0		ECAAHM
CCn1cc(-c2noc(C[N-]S(=O)(=O)N3CCCC3)n2)cn1	ZINC000575414295	438748342	/nfs/dbraw/zinc/74/83/42/438748342.db2.gz	CERLDHRFGMJMQW-UHFFFAOYSA-N	-1	3	326.382	0.383	50	0		ECAAHM
O=C(Nc1ncccc1[O-])C1CN(c2cc(-n3cncn3)ncn2)C1	ZINC000575609716	438750773	/nfs/dbraw/zinc/75/07/73/438750773.db2.gz	OFVGVINUSVXZNC-UHFFFAOYSA-N	-1	3	338.331	0.233	50	0		ECAAHM
COC[C@@H](CS(=O)(=O)[N-]Cc1noc(-c2cccs2)n1)OC	ZINC000585115871	439633179	/nfs/dbraw/zinc/63/31/79/439633179.db2.gz	WYSWZLWIHGRGOZ-VIFPVBQESA-N	-1	3	347.418	0.879	50	0		ECAAHM
O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1c[n-]nn1	ZINC000147425472	586407591	/nfs/dbraw/zinc/40/75/91/586407591.db2.gz	YFVKDICXYFURCF-UHFFFAOYSA-N	-1	3	349.416	0.635	50	0		ECAAHM
O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cnn[n-]1	ZINC000147425472	586407592	/nfs/dbraw/zinc/40/75/92/586407592.db2.gz	YFVKDICXYFURCF-UHFFFAOYSA-N	-1	3	349.416	0.635	50	0		ECAAHM
O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cn[n-]n1	ZINC000147425472	586407593	/nfs/dbraw/zinc/40/75/93/586407593.db2.gz	YFVKDICXYFURCF-UHFFFAOYSA-N	-1	3	349.416	0.635	50	0		ECAAHM
NC(=O)c1ccc(NC(=O)CSc2nc3nncc-3c(O)[n-]2)cc1	ZINC000004249687	210152012	/nfs/dbraw/zinc/15/20/12/210152012.db2.gz	YSRIRVKMJZIJKZ-UHFFFAOYSA-N	-1	3	344.356	0.888	50	0		ECAAHM
Cc1c(CN2CCN(C)[C@H](C(=O)[O-])C2)c(=O)n(-c2ccccc2)n1C	ZINC000067740134	215199155	/nfs/dbraw/zinc/19/91/55/215199155.db2.gz	QJFNBKUTXJERRA-INIZCTEOSA-N	-1	3	344.415	0.685	50	0		ECAAHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC[C@H]1CN(C)CCO1	ZINC000067833630	215224738	/nfs/dbraw/zinc/22/47/38/215224738.db2.gz	VSAWOIWHFBVWJH-JTQLQIEISA-N	-1	3	336.845	0.381	50	0		ECAAHM
Cc1ccc([C@H](C(=O)N2CCc3c(nc(N)[n-]c3=O)C2)N(C)C)cc1	ZINC000072129532	216021243	/nfs/dbraw/zinc/02/12/43/216021243.db2.gz	MBEPUHWTRBHEJJ-OAHLLOKOSA-N	-1	3	341.415	0.848	50	0		ECAAHM
CCn1cnc(S(=O)(=O)[N-][C@@H]2CCCN(c3ncccn3)C2)c1	ZINC000072310243	216147175	/nfs/dbraw/zinc/14/71/75/216147175.db2.gz	JFJCRBOLTLWSEX-GFCCVEGCSA-N	-1	3	336.421	0.640	50	0		ECAAHM
COc1ccccc1OC1CCN(C(=O)c2c[nH]c(=O)[n-]c2=O)CC1	ZINC000072434399	216229687	/nfs/dbraw/zinc/22/96/87/216229687.db2.gz	SLGZXOFEBCSOIC-UHFFFAOYSA-N	-1	3	345.355	0.755	50	0		ECAAHM
CN(C)S(=O)(=O)[N-]c1cnn(C[C@H]2COc3ccccc3O2)c1	ZINC000206846693	241053949	/nfs/dbraw/zinc/05/39/49/241053949.db2.gz	QWOBMTQBFNZXGA-LBPRGKRZSA-N	-1	3	338.389	0.941	50	0		ECAAHM
CCOC(=O)C[C@@H](NC(=O)Nc1c[nH]c(=O)[n-]c1=O)c1ccccc1	ZINC000020945689	212192373	/nfs/dbraw/zinc/19/23/73/212192373.db2.gz	WJRREJZZGJTAPN-LLVKDONJSA-N	-1	3	346.343	0.879	50	0		ECAAHM
COc1ccc([C@@H](O)Cc2nc3c(=O)[nH]c(=O)n(C)c3[n-]c2=O)cc1	ZINC000242339309	243020436	/nfs/dbraw/zinc/02/04/36/243020436.db2.gz	ZGSIPYJDNGHFLR-NSHDSACASA-N	-1	3	344.327	0.419	50	0		ECAAHM
Cc1cc(=O)n(CCN2CCC[C@H](c3cc(=O)[n-]cn3)C2)c(=O)[nH]1	ZINC000253536610	244012474	/nfs/dbraw/zinc/01/24/74/244012474.db2.gz	YBWQHRZPABNVAH-LBPRGKRZSA-N	-1	3	331.376	0.633	50	0		ECAAHM
COc1ccc(CC[N-]S(=O)(=O)c2cn(C)cn2)cc1OC	ZINC000009761518	211123207	/nfs/dbraw/zinc/12/32/07/211123207.db2.gz	CUOJSYKHIQZQRL-UHFFFAOYSA-N	-1	3	325.390	0.958	50	0		ECAAHM
Cc1nc(CNC(=O)c2coc(CN3CCOCC3)c2)cc(=O)[n-]1	ZINC000095381020	218313730	/nfs/dbraw/zinc/31/37/30/218313730.db2.gz	HETLWTJMAGZJJV-UHFFFAOYSA-N	-1	3	332.360	0.434	50	0		ECAAHM
CS(=O)(=O)C(Cc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000299745379	258008729	/nfs/dbraw/zinc/00/87/29/258008729.db2.gz	YMCLLBHBAQTJCR-STQMWFEESA-N	-1	3	325.386	0.575	50	0		ECAAHM
CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3)[n-]c2=O)C1	ZINC000035605832	276390670	/nfs/dbraw/zinc/39/06/70/276390670.db2.gz	OJXQWUNZQCGHNQ-NSHDSACASA-N	-1	3	326.422	0.292	50	0		ECAAHM
O=C(NCCCCNC(=O)c1cncc(O)c1)c1cncc([O-])c1	ZINC000001739142	435962806	/nfs/dbraw/zinc/96/28/06/435962806.db2.gz	BBZGQNLDZSABDQ-UHFFFAOYSA-N	-1	3	330.344	0.828	50	0		ECAAHM
O=C(NCCS(=O)(=O)N1CCSCC1)c1ccccc1[O-]	ZINC000069841700	435968113	/nfs/dbraw/zinc/96/81/13/435968113.db2.gz	FQFQBTPRNNSSEB-UHFFFAOYSA-N	-1	3	330.431	0.501	50	0		ECAAHM
COC(=O)c1cc(C)nc2nc(SCCn3cncn3)[n-]c(=O)c12	ZINC000069844520	435968714	/nfs/dbraw/zinc/96/87/14/435968714.db2.gz	VIOMADBYVGJZJL-UHFFFAOYSA-N	-1	3	346.372	0.797	50	0		ECAAHM
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)[C@@]1([O-])C(F)(F)F	ZINC000004751681	435979495	/nfs/dbraw/zinc/97/94/95/435979495.db2.gz	FDUAZTXCKBNRLW-LBPRGKRZSA-N	-1	3	327.218	0.228	50	0		ECAAHM
CC1(C)Cc2ccc(C(=O)NCCNS(C)(=O)=O)c([O-])c2O1	ZINC000070005299	435982116	/nfs/dbraw/zinc/98/21/16/435982116.db2.gz	PLZSYZIRHFOKHI-UHFFFAOYSA-N	-1	3	328.390	0.385	50	0		ECAAHM
CCOC([O-])=NC(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000006004223	435994261	/nfs/dbraw/zinc/99/42/61/435994261.db2.gz	SOVYYYOOAFIHBF-UHFFFAOYSA-N	-1	3	343.357	0.828	50	0		ECAAHM
CCOC(=O)[N-]C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000006004223	435994267	/nfs/dbraw/zinc/99/42/67/435994267.db2.gz	SOVYYYOOAFIHBF-UHFFFAOYSA-N	-1	3	343.357	0.828	50	0		ECAAHM
C[C@@H](C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O)N1CCc2ccccc2C1	ZINC000072290753	436041531	/nfs/dbraw/zinc/04/15/31/436041531.db2.gz	AFBKMQQKKQIQTL-SGTLLEGYSA-N	-1	3	342.399	0.244	50	0		ECAAHM
COC(=O)c1ccc(N2CCN(C(=O)[C@@H](N)CCC(=O)[O-])CC2)cc1	ZINC000077377555	436233866	/nfs/dbraw/zinc/23/38/66/436233866.db2.gz	UEHXIAXRSCYOLZ-AWEZNQCLSA-N	-1	3	349.387	0.314	50	0		ECAAHM
Cc1ccc(C(=O)NCc2cc(=O)[n-]c(C)n2)cc1N1CCNC1=O	ZINC000032582110	436241922	/nfs/dbraw/zinc/24/19/22/436241922.db2.gz	ALYFBWXCCBPTAQ-UHFFFAOYSA-N	-1	3	341.371	0.846	50	0		ECAAHM
COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[C@H]2NC(=O)[N-]C2=O)c1	ZINC000042853075	436319953	/nfs/dbraw/zinc/31/99/53/436319953.db2.gz	WVDIOXAXQRGVFI-OLZOCXBDSA-N	-1	3	347.371	0.965	50	0		ECAAHM
NC(=O)CN1CCC(NC(=O)c2c[n-]c3ccccc3c2=O)CC1	ZINC000046025405	436383064	/nfs/dbraw/zinc/38/30/64/436383064.db2.gz	KUUAMYCNNZAZKT-UHFFFAOYSA-N	-1	3	328.372	0.208	50	0		ECAAHM
O=C([O-])[C@H]1CC(=O)NC12CCN(Cc1ccccc1OCCO)CC2	ZINC000091364833	436450097	/nfs/dbraw/zinc/45/00/97/436450097.db2.gz	MDWCPENXYGSUHI-CQSZACIVSA-N	-1	3	348.399	0.613	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1nncn1C1CCCCC1	ZINC000091779867	436460502	/nfs/dbraw/zinc/46/05/02/436460502.db2.gz	CZHBGTJKPMOKRT-NSHDSACASA-N	-1	3	334.380	0.388	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCC1(c2ccccc2)CCOCC1	ZINC000092019403	436465543	/nfs/dbraw/zinc/46/55/43/436465543.db2.gz	ULRDPKWRVDBGRY-CQSZACIVSA-N	-1	3	345.399	0.839	50	0		ECAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NCCCO)cc(C3CC3)nc21	ZINC000097175926	436540050	/nfs/dbraw/zinc/54/00/50/436540050.db2.gz	BTUZPEIBDAQYES-UHFFFAOYSA-N	-1	3	332.360	0.094	50	0		ECAAHM
COCCCS(=O)(=O)[N-]CC(=O)N1CCN(C)c2ccccc21	ZINC000269306136	436656423	/nfs/dbraw/zinc/65/64/23/436656423.db2.gz	LWHZECLHKUEKKI-UHFFFAOYSA-N	-1	3	341.433	0.425	50	0		ECAAHM
Cc1cc(=O)[n-]c(S[C@H](C)C(=O)NCCN2CCC(O)CC2)n1	ZINC000220384300	436699969	/nfs/dbraw/zinc/69/99/69/436699969.db2.gz	ONGMEYWLKULUSB-LLVKDONJSA-N	-1	3	340.449	0.132	50	0		ECAAHM
Cc1cc(N)n(CC(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]c(C4CC4)n3)C2)n1	ZINC000220715650	436701665	/nfs/dbraw/zinc/70/16/65/436701665.db2.gz	XVYXCGWMHSBSKY-HAQNSBGRSA-N	-1	3	342.403	0.797	50	0		ECAAHM
O=c1cc(N2CCN(c3ncnc4[nH]ccc43)C[C@H](O)C2)nc[n-]1	ZINC000225347385	436710691	/nfs/dbraw/zinc/71/06/91/436710691.db2.gz	QWNYYKPYNWRUPG-SNVBAGLBSA-N	-1	3	327.348	0.141	50	0		ECAAHM
CCN(CC(=O)NCc1ccc(F)cc1)c1nc2nncc-2c(O)[n-]1	ZINC000225592146	436711093	/nfs/dbraw/zinc/71/10/93/436711093.db2.gz	NTCXHAQHOFTLQV-UHFFFAOYSA-N	-1	3	344.350	0.928	50	0		ECAAHM
O=C1CCCCN1CC1CCN(c2nc3nncc-3c(O)[n-]2)CC1	ZINC000225595568	436711753	/nfs/dbraw/zinc/71/17/53/436711753.db2.gz	UHNKLJJNQLFHGB-UHFFFAOYSA-N	-1	3	330.392	0.875	50	0		ECAAHM
COC(=O)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CN1C	ZINC000065536097	436666549	/nfs/dbraw/zinc/66/65/49/436666549.db2.gz	VHKFECJBWTUULJ-YUMQZZPRSA-N	-1	3	338.838	0.926	50	0		ECAAHM
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000182126138	437340183	/nfs/dbraw/zinc/34/01/83/437340183.db2.gz	ROHHQXAVQWWKJH-SECBINFHSA-N	-1	3	349.778	0.308	50	0		ECAAHM
COc1ccnc(C(=O)NC2CCN(c3cc(=O)[n-]c(N)n3)CC2)c1	ZINC000426513746	438063549	/nfs/dbraw/zinc/06/35/49/438063549.db2.gz	RZKCLJCVZCPIHR-UHFFFAOYSA-N	-1	3	344.375	0.567	50	0		ECAAHM
O=C(c1cncc(=O)[n-]1)N1CCN(c2ncnc3ccccc32)CC1	ZINC000426684374	438070139	/nfs/dbraw/zinc/07/01/39/438070139.db2.gz	IRUPQTYPDGRMGA-UHFFFAOYSA-N	-1	3	336.355	0.676	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C)C(C)(C)C2)cn1	ZINC000408522286	438582404	/nfs/dbraw/zinc/58/24/04/438582404.db2.gz	GVEZUUJIQIFAEJ-UHFFFAOYSA-N	-1	3	326.422	0.156	50	0		ECAAHM
CCc1ccc(S(=O)(=O)N2CC(Cn3c([O-])coc3=O)C2)cc1	ZINC000575615877	438752161	/nfs/dbraw/zinc/75/21/61/438752161.db2.gz	IYYBDXZBDDQDDT-UHFFFAOYSA-N	-1	3	338.385	0.848	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]Cc2cn(-c3cccnc3)nn2)cn1C	ZINC000575618068	438752187	/nfs/dbraw/zinc/75/21/87/438752187.db2.gz	HSYCBILYXNANRR-UHFFFAOYSA-N	-1	3	333.377	0.183	50	0		ECAAHM
COc1ccccc1OCC(=O)N1CC(Cn2c([O-])coc2=O)C1	ZINC000575616413	438752286	/nfs/dbraw/zinc/75/22/86/438752286.db2.gz	MBYVARTXPQEANL-UHFFFAOYSA-N	-1	3	334.328	0.511	50	0		ECAAHM
COCCN1CCN(CC(=O)N=c2cc[n-]n2[C@H](C)C2CC2)CC1	ZINC000588080381	438818216	/nfs/dbraw/zinc/81/82/16/438818216.db2.gz	LCUNPUAMMNBLMV-CQSZACIVSA-N	-1	3	335.452	0.479	50	0		ECAAHM
O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@](O)(CO)CC1	ZINC000534676844	439534710	/nfs/dbraw/zinc/53/47/10/439534710.db2.gz	AZHKCQUCOIHRFE-INIZCTEOSA-N	-1	3	346.391	0.286	50	0		ECAAHM
O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@](O)(CO)CC1	ZINC000534676844	439534713	/nfs/dbraw/zinc/53/47/13/439534713.db2.gz	AZHKCQUCOIHRFE-INIZCTEOSA-N	-1	3	346.391	0.286	50	0		ECAAHM
O=c1[nH]nc2n1CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)CC2	ZINC000169783214	609747050	/nfs/dbraw/zinc/74/70/50/609747050.db2.gz	AJVXGBDZCNWDTL-SSDOTTSWSA-N	-1	3	348.837	0.970	50	0		ECAAHM
Cc1nc[nH]c1C(=O)N1CCc2c(c(C(=O)[O-])nn2CCN(C)C)C1	ZINC000067515518	215157250	/nfs/dbraw/zinc/15/72/50/215157250.db2.gz	OAYXKEVLXXFOMW-UHFFFAOYSA-N	-1	3	346.391	0.373	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)[N-]C1=NCCS1	ZINC000036705897	213111254	/nfs/dbraw/zinc/11/12/54/213111254.db2.gz	DOTBAHXNUXBYTA-LLVKDONJSA-N	-1	3	332.385	0.736	50	0		ECAAHM
CC(C)N1CCO[C@H](CC(=O)N2CCC(c3cc(=O)[n-]cn3)CC2)C1	ZINC000023431915	212377341	/nfs/dbraw/zinc/37/73/41/212377341.db2.gz	RKNWBZBWYGEKNY-OAHLLOKOSA-N	-1	3	348.447	0.975	50	0		ECAAHM
Cn1cc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c(=O)[n-]c1=O	ZINC000215385057	241122802	/nfs/dbraw/zinc/12/28/02/241122802.db2.gz	IUCUBGMCULAXQX-CYBMUJFWSA-N	-1	3	344.371	0.290	50	0		ECAAHM
CN(Cc1ccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)o1)S(C)(=O)=O	ZINC000217021242	241230301	/nfs/dbraw/zinc/23/03/01/241230301.db2.gz	XOVLUNWREWPCSY-ITGUQSILSA-N	-1	3	328.390	0.433	50	0		ECAAHM
CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CN1CC(=O)[N-]C1=O	ZINC000020866752	212178790	/nfs/dbraw/zinc/17/87/90/212178790.db2.gz	WFONLEHNMRSYOX-UHFFFAOYSA-N	-1	3	345.334	0.522	50	0		ECAAHM
Cc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2cccnc2)cc1	ZINC000010070668	211145479	/nfs/dbraw/zinc/14/54/79/211145479.db2.gz	NIWQIDZVSCASEM-UHFFFAOYSA-N	-1	3	330.373	0.844	50	0		ECAAHM
O=C([C@H]1CCCN1Cc1ccccc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000095407666	218344172	/nfs/dbraw/zinc/34/41/72/218344172.db2.gz	VBZZJDSKMLAXBD-CABCVRRESA-N	-1	3	342.399	0.414	50	0		ECAAHM
Cc1nn2c(nnc2SCCNC(=O)NC(C)(C)C)[n-]c1=O	ZINC000095452329	218396636	/nfs/dbraw/zinc/39/66/36/218396636.db2.gz	HIMWDNCXKYHPBO-UHFFFAOYSA-N	-1	3	325.398	0.723	50	0		ECAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@](CNC(C)=O)(c2ccccc2)S1	ZINC000005101491	210390033	/nfs/dbraw/zinc/39/00/33/210390033.db2.gz	WQGDTRYRBSDLRR-HNNXBMFYSA-N	-1	3	334.401	0.978	50	0		ECAAHM
CS(=O)(=O)C(Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000299745373	258008695	/nfs/dbraw/zinc/00/86/95/258008695.db2.gz	YLNXEIDGPPVHQW-ZIAGYGMSSA-N	-1	3	339.413	0.966	50	0		ECAAHM
CN(C)CCN1C[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1=O	ZINC000269104860	289159585	/nfs/dbraw/zinc/15/95/85/289159585.db2.gz	BYRGKZLUUSQKEH-HIFRSBDPSA-N	-1	3	333.388	0.339	50	0		ECAAHM
CN1CCN([C@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]2CCC(=O)[O-])CC1	ZINC000095517837	290056575	/nfs/dbraw/zinc/05/65/75/290056575.db2.gz	ZTQAMDXATDYTTJ-ZBFHGGJFSA-N	-1	3	348.447	0.958	50	0		ECAAHM
C[C@H](C1CCN(C(=O)CCc2cc(=O)[n-]o2)CC1)N1CCOCC1	ZINC000072477134	298267998	/nfs/dbraw/zinc/26/79/98/298267998.db2.gz	BSHFSKWDVAXKSL-CYBMUJFWSA-N	-1	3	337.420	0.860	50	0		ECAAHM
O=C(c1cnc[n-]c1=O)N1CCC2(CC1)Nc1ccccc1NC2=O	ZINC000082134822	304595595	/nfs/dbraw/zinc/59/55/95/304595595.db2.gz	URXFXRHTEJYXEJ-UHFFFAOYSA-N	-1	3	339.355	0.809	50	0		ECAAHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](C)N1CCN(C)CC1	ZINC000071921618	436030042	/nfs/dbraw/zinc/03/00/42/436030042.db2.gz	MFPOQLWIOGQWBY-JTQLQIEISA-N	-1	3	349.888	0.296	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)NC1CCC(O)CC1	ZINC000014111674	436068161	/nfs/dbraw/zinc/06/81/61/436068161.db2.gz	CHJKGLRXJNXSSO-UHFFFAOYSA-N	-1	3	345.421	0.380	50	0		ECAAHM
CN(Cc1cnn(C)c1)C(=O)Cn1[n-]c(=O)c2ccccc2c1=O	ZINC000025044070	436143685	/nfs/dbraw/zinc/14/36/85/436143685.db2.gz	RRUKUWLOMQIFOY-UHFFFAOYSA-N	-1	3	327.344	0.494	50	0		ECAAHM
CNC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1	ZINC000026976032	436169874	/nfs/dbraw/zinc/16/98/74/436169874.db2.gz	QAJNTHXPVLPICO-UHFFFAOYSA-N	-1	3	347.387	0.454	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCc2[nH]c3ccc(F)cc3c2C1	ZINC000032800691	436244501	/nfs/dbraw/zinc/24/45/01/436244501.db2.gz	HPQOAINKNBJPQY-CYBMUJFWSA-N	-1	3	330.319	0.790	50	0		ECAAHM
Nc1ccc([C@@H](O)CNCCOc2ccc(CC(=O)[O-])cc2)cn1	ZINC000033981898	436252439	/nfs/dbraw/zinc/25/24/39/436252439.db2.gz	GZJZZQHTBTUBEL-HNNXBMFYSA-N	-1	3	331.372	0.993	50	0	investigational	ECAAHM
COc1cccc2c1[n-]cc(C(=O)N1CCC(C(N)=O)CC1)c2=O	ZINC000044892899	436351076	/nfs/dbraw/zinc/35/10/76/436351076.db2.gz	UAWZTJJZGNMFDW-UHFFFAOYSA-N	-1	3	329.356	0.874	50	0		ECAAHM
Cc1ccc(N2C[C@H](C)N(C(=O)c3cc(=O)[n-]c(=O)[nH]3)CC2=O)cc1	ZINC000082097430	436361322	/nfs/dbraw/zinc/36/13/22/436361322.db2.gz	OLZFEBXJIXDMKT-NSHDSACASA-N	-1	3	342.355	0.249	50	0		ECAAHM
Cc1cnc(CN2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)cn1	ZINC000096148660	436514825	/nfs/dbraw/zinc/51/48/25/436514825.db2.gz	BWZMCQBRSZICED-CXAGYDPISA-N	-1	3	330.388	0.540	50	0		ECAAHM
Cc1ncc(C(=O)NCC[C@H]2CCCCN2S(C)(=O)=O)c(=O)[n-]1	ZINC000096138876	436515566	/nfs/dbraw/zinc/51/55/66/436515566.db2.gz	UMYLDVAGXXACSN-LLVKDONJSA-N	-1	3	342.421	0.012	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@H]2COc3ccccc3C2)n1	ZINC000095528109	436499419	/nfs/dbraw/zinc/49/94/19/436499419.db2.gz	WNXJQYPGZOAXKW-CYBMUJFWSA-N	-1	3	328.372	0.858	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]C[C@](C)(O)c2ccc3c(c2)OCO3)c1	ZINC000096025784	436505572	/nfs/dbraw/zinc/50/55/72/436505572.db2.gz	PWTKZKPYFXBLGY-AWEZNQCLSA-N	-1	3	339.373	0.335	50	0		ECAAHM
CC(C)c1noc([C@@H]2CCCN2C(=O)c2cn(C)c(=O)[n-]c2=O)n1	ZINC000219967727	436696635	/nfs/dbraw/zinc/69/66/35/436696635.db2.gz	NBYXAIUIUQPKKB-JTQLQIEISA-N	-1	3	333.348	0.557	50	0		ECAAHM
CCc1nc(C)c(CC(=O)N[C@@H](C(=O)NC)c2ccccc2)c(=O)[n-]1	ZINC000219920797	436697557	/nfs/dbraw/zinc/69/75/57/436697557.db2.gz	RQEQRTDKPWMCBM-MRXNPFEDSA-N	-1	3	342.399	0.787	50	0		ECAAHM
CCCCC(=O)N1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000065415431	436660459	/nfs/dbraw/zinc/66/04/59/436660459.db2.gz	LKEBYUNBZCLOJU-UHFFFAOYSA-N	-1	3	332.408	0.491	50	0		ECAAHM
CCn1ccc(C(=O)N2CCc3nc(N(C)C)[n-]c(=O)c3CC2)n1	ZINC000065435558	436660654	/nfs/dbraw/zinc/66/06/54/436660654.db2.gz	XDHRHPXPLPSXAB-UHFFFAOYSA-N	-1	3	330.392	0.293	50	0		ECAAHM
CN1CCN2C[C@@H](NC(=O)c3c[n-]c4c(F)cccc4c3=O)C[C@H]2C1	ZINC000067771767	436722592	/nfs/dbraw/zinc/72/25/92/436722592.db2.gz	OXSMGFVUTPMMHV-RYUDHWBXSA-N	-1	3	344.390	0.785	50	0		ECAAHM
O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(=O)[n-]cn1	ZINC000252536209	436837670	/nfs/dbraw/zinc/83/76/70/436837670.db2.gz	HWHYTTOSYXMYQF-UHFFFAOYSA-N	-1	3	337.339	0.836	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)NCc2cc(C3CC3)n[nH]2)n1	ZINC000426547629	438065456	/nfs/dbraw/zinc/06/54/56/438065456.db2.gz	NIHRMJAMJADIEJ-UHFFFAOYSA-N	-1	3	331.380	1.002	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)NCc2cc(C3CC3)[nH]n2)n1	ZINC000426547629	438065461	/nfs/dbraw/zinc/06/54/61/438065461.db2.gz	NIHRMJAMJADIEJ-UHFFFAOYSA-N	-1	3	331.380	1.002	50	0		ECAAHM
C[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](CS(=O)(=O)[N-]Cc2ccco2)C1	ZINC000521397006	439118231	/nfs/dbraw/zinc/11/82/31/439118231.db2.gz	GBDNWGIGWWLYKU-XBFCOCLRSA-N	-1	3	342.417	0.582	50	0		ECAAHM
COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000582358075	439325432	/nfs/dbraw/zinc/32/54/32/439325432.db2.gz	CFJOSNZTFVFVME-MCIONIFRSA-N	-1	3	327.425	0.849	50	0		ECAAHM
CCOC(=O)c1nnc(CNC(=O)c2cccc(OCCOC)c2)[n-]1	ZINC000584908885	439626819	/nfs/dbraw/zinc/62/68/19/439626819.db2.gz	NNYAIKMMAJLIGI-UHFFFAOYSA-N	-1	3	348.359	0.937	50	0		ECAAHM
CC[C@H](NC(=O)c1cc(-n2cnnn2)ccc1[O-])c1ncnn1CC	ZINC000222791052	545923180	/nfs/dbraw/zinc/92/31/80/545923180.db2.gz	LQOJXXZBWIGRBJ-LBPRGKRZSA-N	-1	3	342.363	0.860	50	0		ECAAHM
COCCN1CC[C@@H](CNS(=O)(=O)c2ccsc2C(=O)[O-])C1	ZINC000670472816	548017840	/nfs/dbraw/zinc/01/78/40/548017840.db2.gz	KTLYEDHKTMOHDC-JTQLQIEISA-N	-1	3	348.446	0.693	50	0		ECAAHM
Cc1ncncc1C(=O)NC[C@@H]1CCCN(c2cc(=O)[n-]cn2)C1	ZINC000952985167	612140399	/nfs/dbraw/zinc/14/03/99/612140399.db2.gz	PNQAGNSNVNKWMU-LBPRGKRZSA-N	-1	3	328.376	0.927	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCN(c3nccs3)CC1)[n-]c2=O	ZINC000052826944	214148967	/nfs/dbraw/zinc/14/89/67/214148967.db2.gz	XIMDAJFRSNAFBO-UHFFFAOYSA-N	-1	3	331.405	0.435	50	0		ECAAHM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100619261	219102835	/nfs/dbraw/zinc/10/28/35/219102835.db2.gz	NHDWNKCESAHHKM-RKDXNWHRSA-N	-1	3	341.245	0.696	50	0		ECAAHM
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@]3(CCOC3)C2)ccc1F	ZINC000152990708	530024989	/nfs/dbraw/zinc/02/49/89/530024989.db2.gz	BJROPPMFKLARBO-HNNXBMFYSA-N	-1	3	342.392	0.986	50	0		ECAAHM
O=C(COC(=O)c1c[nH]c(=O)[n-]c1=O)Nc1nc2ccccc2s1	ZINC000003331824	210009758	/nfs/dbraw/zinc/00/97/58/210009758.db2.gz	RRPWNFHLPBZZEB-UHFFFAOYSA-N	-1	3	346.324	0.468	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCN(Cc3cccnc3)C2)cn1C	ZINC000067954501	215258490	/nfs/dbraw/zinc/25/84/90/215258490.db2.gz	KDFGCNMLMYMWEH-HNNXBMFYSA-N	-1	3	349.460	0.924	50	0		ECAAHM
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1	ZINC000035597097	213040149	/nfs/dbraw/zinc/04/01/49/213040149.db2.gz	OUOCUQBBFAYRRE-UHFFFAOYSA-N	-1	3	341.331	0.123	50	0		ECAAHM
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1	ZINC000035597097	213040153	/nfs/dbraw/zinc/04/01/53/213040153.db2.gz	OUOCUQBBFAYRRE-UHFFFAOYSA-N	-1	3	341.331	0.123	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCC[C@H](C)C2)cn1C	ZINC000071853337	215882084	/nfs/dbraw/zinc/88/20/84/215882084.db2.gz	FVDQWZVQJAAWDY-JQWIXIFHSA-N	-1	3	328.438	0.702	50	0		ECAAHM
O=C(c1cn(-c2ccccc2)nn1)N1CCc2nc[n-]c(=O)c2CC1	ZINC000072144640	216030628	/nfs/dbraw/zinc/03/06/28/216030628.db2.gz	GDJADHGDIPOOEH-UHFFFAOYSA-N	-1	3	336.355	0.592	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCCN(Cc2ccccc2F)CC1	ZINC000072421003	216209530	/nfs/dbraw/zinc/20/95/30/216209530.db2.gz	QCQPCNPSMUFPLU-CQSZACIVSA-N	-1	3	348.378	0.458	50	0		ECAAHM
COc1ccccc1[C@H]1CCCN1C(=O)Cc1c[nH]c(=O)[n-]c1=O	ZINC000215780684	241148099	/nfs/dbraw/zinc/14/80/99/241148099.db2.gz	FNRPVECJWSMSPE-CYBMUJFWSA-N	-1	3	329.356	0.978	50	0		ECAAHM
Cn1cc(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)c(=O)[n-]c1=O	ZINC000216387400	241188134	/nfs/dbraw/zinc/18/81/34/241188134.db2.gz	OPAXFUBLNLRHIS-CQSZACIVSA-N	-1	3	339.355	0.441	50	0		ECAAHM
CCc1cc(N2CCN(C)[C@@H](C(=O)[O-])C2)nc(N2CCOCC2)n1	ZINC000216404713	241188504	/nfs/dbraw/zinc/18/85/04/241188504.db2.gz	KFQDGWYOTBSQGY-CYBMUJFWSA-N	-1	3	335.408	0.081	50	0		ECAAHM
CN(C)c1nc([C@H]2C[C@@H](NC(=O)CCN3CCCO3)C2)cc(=O)[n-]1	ZINC000253535300	244009804	/nfs/dbraw/zinc/00/98/04/244009804.db2.gz	QQDPGMRCXUJDEU-TXEJJXNPSA-N	-1	3	335.408	0.638	50	0		ECAAHM
C[C@@H](C(=O)NC1CCCC1)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000253537166	244017100	/nfs/dbraw/zinc/01/71/00/244017100.db2.gz	ZZKAHPNMMAFPBJ-NSHDSACASA-N	-1	3	334.424	0.334	50	0		ECAAHM
COc1cc(C(=S)N2CCN(CCO)CC2)cc(OC)c1[O-]	ZINC000019842325	212075545	/nfs/dbraw/zinc/07/55/45/212075545.db2.gz	CDILVDVWYRACTP-UHFFFAOYSA-N	-1	3	326.418	0.695	50	0		ECAAHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CN(C3CC3)C[C@H]2C)o1	ZINC000079099949	217192718	/nfs/dbraw/zinc/19/27/18/217192718.db2.gz	YVISIMGZNPTCBQ-KOLCDFICSA-N	-1	3	328.390	0.827	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCCCn1ncc2ccccc21	ZINC000092077268	218115612	/nfs/dbraw/zinc/11/56/12/218115612.db2.gz	VUZHCJXCWVMZGV-GFCCVEGCSA-N	-1	3	329.360	0.531	50	0		ECAAHM
CN(CC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CCCc3ccccc32)C[C@H]1O	ZINC000328596205	258042477	/nfs/dbraw/zinc/04/24/77/258042477.db2.gz	WRNNBDRFZRMLRR-HRCADAONSA-N	-1	3	332.400	0.695	50	0		ECAAHM
CS(=O)(=O)C(Cc1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000299752411	258007067	/nfs/dbraw/zinc/00/70/67/258007067.db2.gz	UAJWLWCVZPDASY-CQSZACIVSA-N	-1	3	339.413	0.966	50	0		ECAAHM
CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000299749240	258007626	/nfs/dbraw/zinc/00/76/26/258007626.db2.gz	JOMZIVIEFRJKSU-HNNXBMFYSA-N	-1	3	347.415	0.510	50	0		ECAAHM
CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000299749241	258007681	/nfs/dbraw/zinc/00/76/81/258007681.db2.gz	JOMZIVIEFRJKSU-OAHLLOKOSA-N	-1	3	347.415	0.510	50	0		ECAAHM
COc1ccc2c(c1)OCC(C(=O)N(CCN(C)C)CC(=O)[O-])=C2	ZINC000299748358	258007915	/nfs/dbraw/zinc/00/79/15/258007915.db2.gz	HBVNVNVULYJYSE-UHFFFAOYSA-N	-1	3	334.372	0.946	50	0		ECAAHM
CS(=O)(=O)C(Cc1ccccc1)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000299745370	258008651	/nfs/dbraw/zinc/00/86/51/258008651.db2.gz	YLNXEIDGPPVHQW-KBPBESRZSA-N	-1	3	339.413	0.966	50	0		ECAAHM
CS(=O)(=O)N1CCC[C@H](NC(=O)c2cc3c(cc2[O-])OCO3)C1	ZINC000069742995	435963441	/nfs/dbraw/zinc/96/34/41/435963441.db2.gz	JEGYFAQYXKTKHU-VIFPVBQESA-N	-1	3	342.373	0.275	50	0		ECAAHM
CCOc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)cc1	ZINC000000223828	435952989	/nfs/dbraw/zinc/95/29/89/435952989.db2.gz	YEIATSIVLAJNBO-UHFFFAOYSA-N	-1	3	325.346	0.571	50	0		ECAAHM
O=C([O-])[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(Cc2cccnc2)C1	ZINC000071758939	436008902	/nfs/dbraw/zinc/00/89/02/436008902.db2.gz	YOHBODQQAYPAHW-CABCVRRESA-N	-1	3	333.388	0.463	50	0		ECAAHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)NC1CCCC1	ZINC000007417888	436013430	/nfs/dbraw/zinc/01/34/30/436013430.db2.gz	NGQDOLAXCZAGGH-UHFFFAOYSA-N	-1	3	337.405	0.263	50	0		ECAAHM
CC(=O)[C@H](C)OC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)[C@H](C)O	ZINC000071921356	436030945	/nfs/dbraw/zinc/03/09/45/436030945.db2.gz	YOVAKQQQTYYMBA-ATZCPNFKSA-N	-1	3	335.403	0.297	50	0		ECAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCOCC3)cc(C3CC3)nc21	ZINC000032032765	436234226	/nfs/dbraw/zinc/23/42/26/436234226.db2.gz	MIGLTDFYDHZXRQ-UHFFFAOYSA-N	-1	3	344.371	0.455	50	0		ECAAHM
O=C([N-]C1=NCCS1)C1CCN(c2ccc3nncn3n2)CC1	ZINC000030805827	436222270	/nfs/dbraw/zinc/22/22/70/436222270.db2.gz	NWJOXGAQDHLHMT-UHFFFAOYSA-N	-1	3	331.405	0.560	50	0		ECAAHM
C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2ccccc2[O-])C[C@@H](C)O1	ZINC000031899130	436232822	/nfs/dbraw/zinc/23/28/22/436232822.db2.gz	DZCKOPXEYYOAJS-VXGBXAGGSA-N	-1	3	342.417	0.561	50	0		ECAAHM
COc1cc(CNC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)ccn1	ZINC000048300351	436447702	/nfs/dbraw/zinc/44/77/02/436447702.db2.gz	BQZQHNRQSDQSJG-UHFFFAOYSA-N	-1	3	340.339	0.822	50	0		ECAAHM
COc1ccc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1	ZINC000058298196	436623249	/nfs/dbraw/zinc/62/32/49/436623249.db2.gz	IUWIDHIYAIVONK-SNVBAGLBSA-N	-1	3	328.390	0.555	50	0		ECAAHM
C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)C[C@@H](c2ccccc2)O1	ZINC000107493642	436611295	/nfs/dbraw/zinc/61/12/95/436611295.db2.gz	KWCBECJWPBBYRM-XBFCOCLRSA-N	-1	3	331.372	0.963	50	0		ECAAHM
CCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl	ZINC000058776696	436628523	/nfs/dbraw/zinc/62/85/23/436628523.db2.gz	JATGFGPFBUFYQT-UHFFFAOYSA-N	-1	3	344.817	0.697	50	0		ECAAHM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC1(N(C)C)CCCC1	ZINC000058088484	436619468	/nfs/dbraw/zinc/61/94/68/436619468.db2.gz	RWQZWOCEOAOQFB-UHFFFAOYSA-N	-1	3	344.437	0.739	50	0		ECAAHM
CCOC(=O)N1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000065411662	436660356	/nfs/dbraw/zinc/66/03/56/436660356.db2.gz	LQUNSBUDGFQIJJ-UHFFFAOYSA-N	-1	3	334.380	0.321	50	0		ECAAHM
O=C(NCC1=CCCN(Cc2c[nH]c(=O)[n-]c2=O)C1)c1cccs1	ZINC000065399009	436658498	/nfs/dbraw/zinc/65/84/98/436658498.db2.gz	UKXYLJPRLFLDOM-UHFFFAOYSA-N	-1	3	346.412	0.687	50	0		ECAAHM
C[C@@H](CCNC(=O)c1cc(-n2cnnn2)ccc1[O-])n1ccnc1	ZINC000220344676	436698526	/nfs/dbraw/zinc/69/85/26/436698526.db2.gz	SPTBKTQHULQCKZ-NSHDSACASA-N	-1	3	327.348	0.946	50	0		ECAAHM
Cc1nnc(SCC(=O)NCCNc2nc(C)cc(=O)[n-]2)s1	ZINC000220167564	436698692	/nfs/dbraw/zinc/69/86/92/436698692.db2.gz	LXPZYFPSEPQWJW-UHFFFAOYSA-N	-1	3	340.434	0.559	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000255888790	436855466	/nfs/dbraw/zinc/85/54/66/436855466.db2.gz	IUNTVVGSXCOXOX-HNNXBMFYSA-N	-1	3	346.435	0.559	50	0		ECAAHM
COc1ccc2c(c1)[n-]cc(C(=O)N[C@H]1CCS(=O)(=O)C1)c2=O	ZINC000298650214	437045400	/nfs/dbraw/zinc/04/54/00/437045400.db2.gz	CNKZZSHZKYJZGH-VIFPVBQESA-N	-1	3	336.369	0.866	50	0		ECAAHM
Cc1nonc1CN1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CC1	ZINC000299769882	437110368	/nfs/dbraw/zinc/11/03/68/437110368.db2.gz	JPJNKTMIXNBVQQ-UHFFFAOYSA-N	-1	3	346.391	0.377	50	0		ECAAHM
CCNc1ncc(CN2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)cn1	ZINC000299773750	437113625	/nfs/dbraw/zinc/11/36/25/437113625.db2.gz	DOFNWOZRIHEIPT-QWHCGFSZSA-N	-1	3	345.407	0.727	50	0		ECAAHM
CN(C)CCN1C[C@@H](C(=O)NCc2ccc(C(=O)[O-])cc2)CC1=O	ZINC000269210600	437467473	/nfs/dbraw/zinc/46/74/73/437467473.db2.gz	VYUMKIAKGBFWKV-AWEZNQCLSA-N	-1	3	333.388	0.411	50	0		ECAAHM
CO[C@]12CCN(Cc3cc(=O)n4[n-]c(C)cc4n3)[C@H]1C[C@H](O)CC2	ZINC000390829840	438433213	/nfs/dbraw/zinc/43/32/13/438433213.db2.gz	PIYINAAWXSJQCF-JKIFEVAISA-N	-1	3	332.404	0.835	50	0		ECAAHM
C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCn1c([O-])coc1=O	ZINC000575616872	438751985	/nfs/dbraw/zinc/75/19/85/438751985.db2.gz	QIECKRHRLSNRNP-SECBINFHSA-N	-1	3	336.300	0.278	50	0		ECAAHM
O=C(NCCn1c([O-])coc1=O)c1cncc(Br)c1	ZINC000575616864	438752175	/nfs/dbraw/zinc/75/21/75/438752175.db2.gz	QGAWFYRXJLMICZ-UHFFFAOYSA-N	-1	3	328.122	0.553	50	0		ECAAHM
CCCNC(=O)[C@@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)C1	ZINC000051043436	214075986	/nfs/dbraw/zinc/07/59/86/214075986.db2.gz	AKMORMPKDGOUPY-LLVKDONJSA-N	-1	3	332.408	0.395	50	0		ECAAHM
CCCCNC(=O)C1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000052827780	214148907	/nfs/dbraw/zinc/14/89/07/214148907.db2.gz	ZCEPKIZKFGMJDG-UHFFFAOYSA-N	-1	3	346.435	0.785	50	0		ECAAHM
C[C@@H]1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](C)O1	ZINC000045857140	213762125	/nfs/dbraw/zinc/76/21/25/213762125.db2.gz	SZJIWUXEIUWTRZ-VXGBXAGGSA-N	-1	3	343.383	0.894	50	0		ECAAHM
O=C(COC(=O)c1cc(=O)[n-]c(=O)[nH]1)Nc1c(F)cccc1F	ZINC000003309104	210003077	/nfs/dbraw/zinc/00/30/77/210003077.db2.gz	RDWXJLUXUDRDTJ-UHFFFAOYSA-N	-1	3	325.227	0.137	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)N[C@H]1CCOC1)CNCC2	ZINC000067514785	215156958	/nfs/dbraw/zinc/15/69/58/215156958.db2.gz	GKTQNQPQZAWZGL-ZETCQYMHSA-N	-1	3	332.403	0.159	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N2CCC3(CC2)CCNC(=O)CC3)c(=O)[n-]1	ZINC000067788622	215213385	/nfs/dbraw/zinc/21/33/85/215213385.db2.gz	RCSQVPASIFYOEM-UHFFFAOYSA-N	-1	3	346.431	0.838	50	0		ECAAHM
Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC3CCCCC3)cnc21	ZINC000068460998	215309519	/nfs/dbraw/zinc/30/95/19/215309519.db2.gz	PXTWUGDWGWOVOZ-UHFFFAOYSA-N	-1	3	338.389	0.233	50	0		ECAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)N1	ZINC000040481188	213315216	/nfs/dbraw/zinc/31/52/16/213315216.db2.gz	HKECBFNEVMTCMH-UHFFFAOYSA-N	-1	3	345.327	0.328	50	0		ECAAHM
CC(=O)c1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(=O)[nH]c1C	ZINC000072127226	216018487	/nfs/dbraw/zinc/01/84/87/216018487.db2.gz	LJDNLTJKWJMQTF-UHFFFAOYSA-N	-1	3	328.328	0.168	50	0		ECAAHM
CC(C)CCN1CCNC(=O)[C@H]1CC(=O)NCCc1cc(=O)[n-]cn1	ZINC000072144201	216030768	/nfs/dbraw/zinc/03/07/68/216030768.db2.gz	MKUFTBPJFNERHP-CQSZACIVSA-N	-1	3	349.435	0.078	50	0		ECAAHM
CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1cnc[n-]c1=O)CC2	ZINC000072478296	216256933	/nfs/dbraw/zinc/25/69/33/216256933.db2.gz	USLOXHGNIPLVKZ-ZDUSSCGKSA-N	-1	3	348.403	0.561	50	0		ECAAHM
CCC[N@H+]1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1cnc[n-]c1=O)CC2	ZINC000072478296	216256935	/nfs/dbraw/zinc/25/69/35/216256935.db2.gz	USLOXHGNIPLVKZ-ZDUSSCGKSA-N	-1	3	348.403	0.561	50	0		ECAAHM
C[C@]1([N-]S(=O)(=O)c2ccc(F)cc2F)CCS(=O)(=O)C1	ZINC000023743386	212393203	/nfs/dbraw/zinc/39/32/03/212393203.db2.gz	WWGRBHHOMBTQHU-NSHDSACASA-N	-1	3	325.358	0.820	50	0		ECAAHM
CC(=O)N1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1	ZINC000023241638	212363743	/nfs/dbraw/zinc/36/37/43/212363743.db2.gz	MJBQEUYSBSRTDT-UHFFFAOYSA-N	-1	3	339.417	0.753	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCC1(c2ccccc2)CCOCC1	ZINC000215241096	241115285	/nfs/dbraw/zinc/11/52/85/241115285.db2.gz	DOYXJLDEVORXJF-ZDUSSCGKSA-N	-1	3	331.372	0.449	50	0		ECAAHM
Cc1nc2cc(CNC(=O)CC[C@@H]3NC(=O)[N-]C3=O)ccc2n1C	ZINC000215841491	241151872	/nfs/dbraw/zinc/15/18/72/241151872.db2.gz	RURQVPGEUAWYAG-NSHDSACASA-N	-1	3	329.360	0.486	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N[C@@H](Cn1ccnc1)c1ccccc1	ZINC000216164594	241172826	/nfs/dbraw/zinc/17/28/26/241172826.db2.gz	IAYHZUGZQKYCMO-ZDUSSCGKSA-N	-1	3	327.344	0.292	50	0		ECAAHM
Cc1ccc(F)c(S(=O)(=O)[N-]CCNC(=O)N2CCOCC2)c1	ZINC000253395257	243894747	/nfs/dbraw/zinc/89/47/47/243894747.db2.gz	UZIWKWRAGKXSTI-UHFFFAOYSA-N	-1	3	345.396	0.454	50	0		ECAAHM
Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1	ZINC000253534849	244006589	/nfs/dbraw/zinc/00/65/89/244006589.db2.gz	LFVCJFJXBBTPAD-PHIMTYICSA-N	-1	3	343.391	0.885	50	0		ECAAHM
Cn1ccnc1CC[C@H]1CCCCN1C(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000077542039	216934218	/nfs/dbraw/zinc/93/42/18/216934218.db2.gz	IEEYWAPLMCMCAO-LLVKDONJSA-N	-1	3	331.376	0.837	50	0		ECAAHM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)OC	ZINC000078517129	217066810	/nfs/dbraw/zinc/06/68/10/217066810.db2.gz	JAYJPTOVJCQCSX-JTQLQIEISA-N	-1	3	333.337	0.517	50	0		ECAAHM
Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1coc(CN3CCOCC3)c1)C2	ZINC000095361553	218294414	/nfs/dbraw/zinc/29/44/14/218294414.db2.gz	GHODTLSISOEBLD-UHFFFAOYSA-N	-1	3	344.371	0.660	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCn2ccc(-c3cnccn3)n2)cn1C	ZINC000238810219	258001179	/nfs/dbraw/zinc/00/11/79/258001179.db2.gz	ACUSXZJYTLBCIZ-UHFFFAOYSA-N	-1	3	347.404	0.361	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NC1CCN(c2ccccc2)CC1	ZINC000053264337	132187301	/nfs/dbraw/zinc/18/73/01/132187301.db2.gz	WLGLTOWRVOBIMU-AWEZNQCLSA-N	-1	3	330.388	0.760	50	0		ECAAHM
O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000123938582	222354749	/nfs/dbraw/zinc/35/47/49/222354749.db2.gz	HEFLXYCUCYFXRO-UHFFFAOYSA-N	-1	3	327.340	0.679	50	0		ECAAHM
COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c([O-])[nH]c(=O)[nH]c1=O	ZINC000020611249	295255725	/nfs/dbraw/zinc/25/57/25/295255725.db2.gz	MIIDZCCWOWLYQU-CYBMUJFWSA-N	-1	3	328.328	0.494	50	0		ECAAHM
CN1C(=O)c2ccc(C(=O)[N-]N3C(=O)c4ccccc4C3=O)cc2C1=O	ZINC000005013760	435983663	/nfs/dbraw/zinc/98/36/63/435983663.db2.gz	DVLFEKOIWXQCSZ-UHFFFAOYSA-N	-1	3	349.302	0.853	50	0		ECAAHM
Cc1ccc([O-])c(C(=O)N2CCN(CCN3C(=O)CCC3=O)CC2)c1	ZINC000069669336	435956785	/nfs/dbraw/zinc/95/67/85/435956785.db2.gz	SICGGELATKAHIF-UHFFFAOYSA-N	-1	3	345.399	0.607	50	0		ECAAHM
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]CCN(C)C)c1	ZINC000006549840	436000600	/nfs/dbraw/zinc/00/06/00/436000600.db2.gz	XFXWZJBCJCRLMK-UHFFFAOYSA-N	-1	3	344.389	0.100	50	0		ECAAHM
CCOCCC[N-]S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)o1	ZINC000006974026	436004690	/nfs/dbraw/zinc/00/46/90/436004690.db2.gz	LBULXRHBJNJLIQ-UHFFFAOYSA-N	-1	3	327.362	0.735	50	0		ECAAHM
CC(=O)[C@H](C)OC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)[C@@H](C)O	ZINC000071921355	436029760	/nfs/dbraw/zinc/02/97/60/436029760.db2.gz	YOVAKQQQTYYMBA-YWVKMMECSA-N	-1	3	335.403	0.297	50	0		ECAAHM
COc1ccc(CN(C)C(=O)CC[C@@H]2NC(=O)[N-]C2=O)c(OC)c1	ZINC000012602488	436053895	/nfs/dbraw/zinc/05/38/95/436053895.db2.gz	ILBYTTQZEXTAIB-LBPRGKRZSA-N	-1	3	335.360	0.650	50	0		ECAAHM
CCO[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000012872335	436056592	/nfs/dbraw/zinc/05/65/92/436056592.db2.gz	LWZYONWVCDBLHL-UHFFFAOYSA-N	-1	3	342.417	0.708	50	0		ECAAHM
Cn1nnn(-c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)c1=O	ZINC000075163190	436154703	/nfs/dbraw/zinc/15/47/03/436154703.db2.gz	UPGFGXOUJNOASX-UHFFFAOYSA-N	-1	3	345.384	0.908	50	0		ECAAHM
CS(=O)(=O)N1C[C@@H](C(=O)Nc2ncccc2[O-])Oc2ccccc21	ZINC000040553347	436266429	/nfs/dbraw/zinc/26/64/29/436266429.db2.gz	NFTHRUUDQYSOGT-ZDUSSCGKSA-N	-1	3	349.368	0.953	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(Cc2ccccc2F)CC1	ZINC000041592910	436278643	/nfs/dbraw/zinc/27/86/43/436278643.db2.gz	DXXCWAZRBGORGC-AWEZNQCLSA-N	-1	3	348.378	0.458	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)NCCN2CCC(C)CC2)o1	ZINC000044972907	436359213	/nfs/dbraw/zinc/35/92/13/436359213.db2.gz	KFFNZYXFKOPFGN-UHFFFAOYSA-N	-1	3	329.422	0.649	50	0		ECAAHM
C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(N)=O	ZINC000097163814	436539577	/nfs/dbraw/zinc/53/95/77/436539577.db2.gz	LLGSPOOXRZIKQO-YFKPBYRVSA-N	-1	3	325.159	0.740	50	0		ECAAHM
CCN1CCN([C@@H](C)C[N-]S(=O)(=O)c2cn(C(C)C)cn2)CC1	ZINC000195574138	436693974	/nfs/dbraw/zinc/69/39/74/436693974.db2.gz	HZGYCBSWKHRPOK-AWEZNQCLSA-N	-1	3	343.497	0.768	50	0		ECAAHM
O=C(c1ccc2n[n-]nc2c1)N1CCC(O)(Cn2ccnc2)CC1	ZINC000220729190	436701077	/nfs/dbraw/zinc/70/10/77/436701077.db2.gz	RZXNNZKOSYFVEF-UHFFFAOYSA-N	-1	3	326.360	0.822	50	0		ECAAHM
Cc1nc(C2CCN(C(=O)CN3CCCN(C)CC3)CC2)cc(=O)[n-]1	ZINC000222689989	436703595	/nfs/dbraw/zinc/70/35/95/436703595.db2.gz	JVJVWJRRNKXPMG-UHFFFAOYSA-N	-1	3	347.463	0.834	50	0		ECAAHM
Cc1noc(C)c1C(=O)NCCn1[n-]c(=O)c2ccccc2c1=O	ZINC000223554864	436706222	/nfs/dbraw/zinc/70/62/22/436706222.db2.gz	WGCSMWJLLUZGFI-UHFFFAOYSA-N	-1	3	328.328	0.725	50	0		ECAAHM
CO[C@H](C)CS(=O)(=O)[N-][C@@H](C)C(=O)N1CCc2ccccc21	ZINC000225672745	436712954	/nfs/dbraw/zinc/71/29/54/436712954.db2.gz	AZURFLDYNXTACG-NEPJUHHUSA-N	-1	3	326.418	0.919	50	0		ECAAHM
Cc1nnc2n1C[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)CC2	ZINC000065473967	436662916	/nfs/dbraw/zinc/66/29/16/436662916.db2.gz	NJWSZHIEEKHWQG-LBPRGKRZSA-N	-1	3	330.392	0.350	50	0		ECAAHM
Cn1c(=O)[nH]c(=O)c2nc(C[C@H](O)c3ccc(F)cc3)c(=O)[n-]c21	ZINC000241644304	436758667	/nfs/dbraw/zinc/75/86/67/436758667.db2.gz	PPVYCAGGOGBATF-JTQLQIEISA-N	-1	3	332.291	0.550	50	0		ECAAHM
Cn1c(=O)[nH]c(=O)c2nc(C[C@@H](O)c3ccccc3F)c(=O)[n-]c21	ZINC000241371361	436759759	/nfs/dbraw/zinc/75/97/59/436759759.db2.gz	MMYBHJXCNFQWTB-SNVBAGLBSA-N	-1	3	332.291	0.550	50	0		ECAAHM
O=C(c1cnn(-c2ccccc2)n1)N1CC(n2c([O-])coc2=O)C1	ZINC000245015213	436760629	/nfs/dbraw/zinc/76/06/29/436760629.db2.gz	LRLXJPGGWJGFDT-UHFFFAOYSA-N	-1	3	327.300	0.071	50	0		ECAAHM
CCS(=O)(=O)N1CCc2c(cccc2NC(=O)c2cnn[n-]2)C1	ZINC000069527819	436779347	/nfs/dbraw/zinc/77/93/47/436779347.db2.gz	VWTREAACRUYNEP-UHFFFAOYSA-N	-1	3	335.389	0.765	50	0		ECAAHM
CCS(=O)(=O)N1CCc2c(cccc2NC(=O)c2c[n-]nn2)C1	ZINC000069527819	436779350	/nfs/dbraw/zinc/77/93/50/436779350.db2.gz	VWTREAACRUYNEP-UHFFFAOYSA-N	-1	3	335.389	0.765	50	0		ECAAHM
CCS(=O)(=O)N1CCc2c(cccc2NC(=O)c2cn[n-]n2)C1	ZINC000069527819	436779356	/nfs/dbraw/zinc/77/93/56/436779356.db2.gz	VWTREAACRUYNEP-UHFFFAOYSA-N	-1	3	335.389	0.765	50	0		ECAAHM
CC(C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])S(C)(=O)=O	ZINC000261978559	436900277	/nfs/dbraw/zinc/90/02/77/436900277.db2.gz	ZXLQEOGVDALJIY-RNCFNFMXSA-N	-1	3	338.385	0.713	50	0		ECAAHM
CCN1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000299754935	437110651	/nfs/dbraw/zinc/11/06/51/437110651.db2.gz	CVHDJCDDPSADBB-UHFFFAOYSA-N	-1	3	329.408	0.120	50	0		ECAAHM
CCN1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000299754935	437110652	/nfs/dbraw/zinc/11/06/52/437110652.db2.gz	CVHDJCDDPSADBB-UHFFFAOYSA-N	-1	3	329.408	0.120	50	0		ECAAHM
O=C(Nc1ncccc1[O-])C1CN(c2cc(-n3cccn3)ncn2)C1	ZINC000575610249	438750721	/nfs/dbraw/zinc/75/07/21/438750721.db2.gz	UYVIETDQTRROAD-UHFFFAOYSA-N	-1	3	337.343	0.838	50	0		ECAAHM
COc1nc(C[N-]S(=O)(=O)c2ccc(F)cc2C)nc(OC)n1	ZINC000575606575	438750862	/nfs/dbraw/zinc/75/08/62/438750862.db2.gz	JRJLHIMEYYJXQX-UHFFFAOYSA-N	-1	3	342.352	0.815	50	0		ECAAHM
O=C(Nc1ccc2c(c1)OCCO2)N1CC(Cn2c([O-])coc2=O)C1	ZINC000575617690	438752238	/nfs/dbraw/zinc/75/22/38/438752238.db2.gz	ZMDQUBPELYALON-UHFFFAOYSA-N	-1	3	347.327	0.900	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)c2nc(C)c[nH]2)cn1	ZINC000567658739	439161664	/nfs/dbraw/zinc/16/16/64/439161664.db2.gz	AECGDIMGTVPWGK-UHFFFAOYSA-N	-1	3	337.405	0.686	50	0		ECAAHM
CCCc1nc(C[N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cs1	ZINC000534579712	439528430	/nfs/dbraw/zinc/52/84/30/439528430.db2.gz	ZUQWDBJOIVYVDY-JTQLQIEISA-N	-1	3	338.476	0.702	50	0		ECAAHM
O=C(c1cncc(=O)[n-]1)N1CCC2(CC1)Nc1ccccc1NC2=O	ZINC000584886916	439625186	/nfs/dbraw/zinc/62/51/86/439625186.db2.gz	RVGOKWJHCZUWHH-UHFFFAOYSA-N	-1	3	339.355	0.809	50	0		ECAAHM
COc1nc(C[N-]S(=O)(=O)c2cn(C(C)C)cn2)nc(OC)n1	ZINC000575604046	546281990	/nfs/dbraw/zinc/28/19/90/546281990.db2.gz	PDZKMDOAJKTPFG-UHFFFAOYSA-N	-1	3	342.381	0.145	50	0		ECAAHM
CC(C)[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)N1CCCC1	ZINC000670462590	548016563	/nfs/dbraw/zinc/01/65/63/548016563.db2.gz	PNQPBLRBPKMDMB-CQSZACIVSA-N	-1	3	347.481	0.738	50	0		ECAAHM
N=c1nn[n-]n1CC(=O)NC[C@H](c1ccccc1)N1CCCCC1	ZINC000952971543	612139110	/nfs/dbraw/zinc/13/91/10/612139110.db2.gz	KDTWMYQDJYGYPD-CQSZACIVSA-N	-1	3	329.408	0.429	50	0		ECAAHM
CCCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3cnn(C)c3)cnc21	ZINC000025309437	202128929	/nfs/dbraw/zinc/12/89/29/202128929.db2.gz	XQTKFAXHTWZSIZ-UHFFFAOYSA-N	-1	3	328.332	0.481	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCNC(=O)c1cccn1C	ZINC000032760520	202232882	/nfs/dbraw/zinc/23/28/82/202232882.db2.gz	RPTPBJBZYXWBAQ-UHFFFAOYSA-N	-1	3	326.378	0.338	50	0		ECAAHM
CC[C@@H](C)[C@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[n-]n2c1=O	ZINC000230274684	242258282	/nfs/dbraw/zinc/25/82/82/242258282.db2.gz	HYNYKFOMMSWFBJ-SKDRFNHKSA-N	-1	3	336.392	0.080	50	0		ECAAHM
CC[C@H](C)[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C(=O)OC	ZINC000069622133	203028013	/nfs/dbraw/zinc/02/80/13/203028013.db2.gz	DLMYCVQHSSMVJS-CABZTGNLSA-N	-1	3	348.446	0.730	50	0		ECAAHM
O=C([O-])[C@@]12CNC(=O)[C@@H]1CN(Cc1cnn(-c3cccc(F)c3)c1)C2	ZINC000072427217	203221995	/nfs/dbraw/zinc/22/19/95/203221995.db2.gz	VQQVGQKFGFVDQK-WMLDXEAASA-N	-1	3	344.346	0.644	50	0		ECAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CCC[C@H](OCc2cccnc2)C1	ZINC000077390048	203385590	/nfs/dbraw/zinc/38/55/90/203385590.db2.gz	NACGMRVZRUFOMU-LBPRGKRZSA-N	-1	3	330.344	0.280	50	0		ECAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)CCCn1cccn1)C2	ZINC000299792579	258098145	/nfs/dbraw/zinc/09/81/45/258098145.db2.gz	GGMNWQPBZBILOB-UHFFFAOYSA-N	-1	3	330.392	0.810	50	0		ECAAHM
CC(C)Cc1ncc2c(n1)CN(C(=O)c1cn(C)c(=O)[n-]c1=O)C2	ZINC000299767416	258082196	/nfs/dbraw/zinc/08/21/96/258082196.db2.gz	HBQVIRIUNMOEEF-UHFFFAOYSA-N	-1	3	329.360	0.630	50	0		ECAAHM
Cc1cc(C(=O)[N-]c2nc(C(=O)NCc3nc(C)no3)co2)no1	ZINC000090583226	280373408	/nfs/dbraw/zinc/37/34/08/280373408.db2.gz	INEKTRMLQSINMB-UHFFFAOYSA-N	-1	3	332.276	0.845	50	0		ECAAHM
CCOC([O-])=NC(=O)COC(=O)CNC(=O)c1cccc(OC)c1	ZINC000002617875	435968255	/nfs/dbraw/zinc/96/82/55/435968255.db2.gz	GETNOIGELMTRKO-UHFFFAOYSA-N	-1	3	338.316	0.241	50	0		ECAAHM
CCOC(=O)[N-]C(=O)COC(=O)CNC(=O)c1cccc(OC)c1	ZINC000002617875	435968260	/nfs/dbraw/zinc/96/82/60/435968260.db2.gz	GETNOIGELMTRKO-UHFFFAOYSA-N	-1	3	338.316	0.241	50	0		ECAAHM
CCOC([O-])=NC(=O)c1cn(Cc2cccs2)c(=O)n(C)c1=O	ZINC000000169612	435949366	/nfs/dbraw/zinc/94/93/66/435949366.db2.gz	JVCHXJZGOHDWJK-UHFFFAOYSA-N	-1	3	337.357	0.543	50	0		ECAAHM
CCOC(=O)[N-]C(=O)c1cn(Cc2cccs2)c(=O)n(C)c1=O	ZINC000000169612	435949369	/nfs/dbraw/zinc/94/93/69/435949369.db2.gz	JVCHXJZGOHDWJK-UHFFFAOYSA-N	-1	3	337.357	0.543	50	0		ECAAHM
Cc1c(NC(=O)C[C@H]2NC(=O)[N-]C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000001298537	435957939	/nfs/dbraw/zinc/95/79/39/435957939.db2.gz	CDKIHRRDPBFUAV-LLVKDONJSA-N	-1	3	343.343	0.021	50	0		ECAAHM
Cc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)nc1	ZINC000009157273	436035322	/nfs/dbraw/zinc/03/53/22/436035322.db2.gz	NZBBDPWEVIZCCY-UHFFFAOYSA-N	-1	3	339.149	0.641	50	0		ECAAHM
CCOC(=O)C(=O)[N-]n1cnc2c(cnn2-c2ccccc2)c1=O	ZINC000010034386	436036734	/nfs/dbraw/zinc/03/67/34/436036734.db2.gz	RJCXMIMGEURBEI-UHFFFAOYSA-N	-1	3	327.300	0.215	50	0		ECAAHM
CC(C)(C)C(=O)OC[C@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)C[C@@H]1O	ZINC000006159191	435996646	/nfs/dbraw/zinc/99/66/46/435996646.db2.gz	OOEXMOMYYCFEEO-IVZWLZJFSA-N	-1	3	336.348	0.357	50	0		ECAAHM
Cc1c(S(=O)(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)cnn1C	ZINC000017066706	436097825	/nfs/dbraw/zinc/09/78/25/436097825.db2.gz	FKKBLGZAWRTZNC-SECBINFHSA-N	-1	3	326.300	0.750	50	0		ECAAHM
CCc1nnc([N-]C(=O)c2nn(C)c3c2CS(=O)(=O)CC3)s1	ZINC000041070399	436269423	/nfs/dbraw/zinc/26/94/23/436269423.db2.gz	OMNPNSXPRHWLQK-UHFFFAOYSA-N	-1	3	341.418	0.557	50	0		ECAAHM
CC(C)N1CCC[C@@]2(CCN(C(=O)Cc3cc(=O)[n-]c(N)n3)C2)C1=O	ZINC000091586963	436454673	/nfs/dbraw/zinc/45/46/73/436454673.db2.gz	IGIYHZPNAOGUIN-KRWDZBQOSA-N	-1	3	347.419	0.144	50	0		ECAAHM
CCC[C@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)C[C@@H]1Nc1ncccn1	ZINC000092028243	436464334	/nfs/dbraw/zinc/46/43/34/436464334.db2.gz	YCUIMKQTDUBXHP-RYUDHWBXSA-N	-1	3	346.391	0.067	50	0		ECAAHM
Cc1ncsc1CN1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)[O-])C1	ZINC000096165293	436517476	/nfs/dbraw/zinc/51/74/76/436517476.db2.gz	POYLNODAOWJOCF-ZWNOBZJWSA-N	-1	3	345.446	0.230	50	0		ECAAHM
COc1cccc2c1OC[C@H](C(=O)NCCc1nc(C)cc(=O)[n-]1)C2	ZINC000095388040	436495176	/nfs/dbraw/zinc/49/51/76/436495176.db2.gz	JIVUOGVPANREAH-CYBMUJFWSA-N	-1	3	343.383	0.997	50	0		ECAAHM
COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@@H](C)O	ZINC000095945066	436499466	/nfs/dbraw/zinc/49/94/66/436499466.db2.gz	VNXSGIUVPDWJSJ-LHLIQPBNSA-N	-1	3	325.745	0.680	50	0		ECAAHM
COc1ccc(C[C@](C)(O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1	ZINC000096025798	436505441	/nfs/dbraw/zinc/50/54/41/436505441.db2.gz	KUTCCEWTNDLFTL-HNNXBMFYSA-N	-1	3	339.417	0.701	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CCn2ccc(-c3ccncc3)n2)c1	ZINC000096098838	436511644	/nfs/dbraw/zinc/51/16/44/436511644.db2.gz	YYEMKAVWOYDMAX-UHFFFAOYSA-N	-1	3	332.389	0.657	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)Nc1nc2ccccc2n1-c1ccccc1	ZINC000097931194	436544372	/nfs/dbraw/zinc/54/43/72/436544372.db2.gz	CUZZYZUCFNAYCZ-CYBMUJFWSA-N	-1	3	349.350	1.562	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1noc(-c2ccsc2)n1	ZINC000097989787	436546442	/nfs/dbraw/zinc/54/64/42/436546442.db2.gz	DVZVUUFDYLLLHQ-QMMMGPOBSA-N	-1	3	335.345	0.403	50	0		ECAAHM
Cc1cc(NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)n(C)n1	ZINC000058342468	436624504	/nfs/dbraw/zinc/62/45/04/436624504.db2.gz	QIBYIOBCEADSCE-UHFFFAOYSA-N	-1	3	340.409	0.078	50	0		ECAAHM
CCN1C[C@H](CN(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)Oc2ccccc21	ZINC000108482548	436619379	/nfs/dbraw/zinc/61/93/79/436619379.db2.gz	ROWRMUYCTAOGCP-RYUDHWBXSA-N	-1	3	346.387	0.330	50	0		ECAAHM
C[C@H](NC(=O)Cc1c[nH]c(=O)[n-]c1=O)c1ccccc1-n1cccn1	ZINC000221298332	436701687	/nfs/dbraw/zinc/70/16/87/436701687.db2.gz	NOYNRJKFVZUNRB-NSHDSACASA-N	-1	3	339.355	0.669	50	0		ECAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)NCCc1nc2c(s1)CCCC2	ZINC000222983403	436704610	/nfs/dbraw/zinc/70/46/10/436704610.db2.gz	QRNQCQVVTAINLP-UHFFFAOYSA-N	-1	3	334.401	0.300	50	0		ECAAHM
COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CN(C2CC2)CCO1	ZINC000121064955	436707464	/nfs/dbraw/zinc/70/74/64/436707464.db2.gz	YDFZBLPAVKREKJ-LLVKDONJSA-N	-1	3	332.447	0.898	50	0		ECAAHM
O=C(Cc1cnc[n-]c1=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1	ZINC000223747871	436708877	/nfs/dbraw/zinc/70/88/77/436708877.db2.gz	SZYYOVMJEGHVOO-CVEARBPZSA-N	-1	3	343.383	0.803	50	0		ECAAHM
CO[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000225656609	436712690	/nfs/dbraw/zinc/71/26/90/436712690.db2.gz	CFGYWOWXNPUIOI-QMMMGPOBSA-N	-1	3	338.788	0.909	50	0		ECAAHM
Cc1nc(CCn2cnc3sc4c(c3c2=O)CCNC4)cc(=O)[n-]1	ZINC000065454896	436663999	/nfs/dbraw/zinc/66/39/99/436663999.db2.gz	NOROOOKJTAXJKH-UHFFFAOYSA-N	-1	3	343.412	0.738	50	0		ECAAHM
CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1cc(-n2cnnn2)ccc1[O-]	ZINC000067772611	436721651	/nfs/dbraw/zinc/72/16/51/436721651.db2.gz	OQQHQQSGKGHHMR-NEPJUHHUSA-N	-1	3	342.359	0.203	50	0		ECAAHM
O=c1c2ccccc2nnn1CC[N-]S(=O)(=O)c1ccccc1F	ZINC000238824335	436756023	/nfs/dbraw/zinc/75/60/23/436756023.db2.gz	DJMIOSXPDLTQFA-UHFFFAOYSA-N	-1	3	348.359	0.909	50	0		ECAAHM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)ccc1F	ZINC000153583015	436758466	/nfs/dbraw/zinc/75/84/66/436758466.db2.gz	PIYQVEJQUBMNMO-NXEZZACHSA-N	-1	3	329.397	0.556	50	0		ECAAHM
Cn1nc(N2CC[C@H]([N-]S(=O)(=O)c3cccs3)C2)ccc1=O	ZINC000257184527	436857471	/nfs/dbraw/zinc/85/74/71/436857471.db2.gz	IPRGDMUDUZSUPC-JTQLQIEISA-N	-1	3	340.430	0.399	50	0		ECAAHM
CS(=O)(=O)C(Cc1ccccc1)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000299745372	437110560	/nfs/dbraw/zinc/11/05/60/437110560.db2.gz	YLNXEIDGPPVHQW-UONOGXRCSA-N	-1	3	339.413	0.966	50	0		ECAAHM
C[C@]1(C(=O)[O-])CCN(C(=O)C(Cc2ccccc2)S(C)(=O)=O)C1	ZINC000299745768	437111074	/nfs/dbraw/zinc/11/10/74/437111074.db2.gz	SHAWSLMCGZZZSW-CJNGLKHVSA-N	-1	3	339.413	0.966	50	0		ECAAHM
Cc1cc(=NC(=O)c2c(C)noc2C)n([C@@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159367	437296473	/nfs/dbraw/zinc/29/64/73/437296473.db2.gz	JUFUHSXDCLQSKO-LLVKDONJSA-N	-1	3	338.389	0.830	50	0		ECAAHM
CC[C@H](C(=O)[O-])N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1	ZINC000191427675	529624640	/nfs/dbraw/zinc/62/46/40/529624640.db2.gz	VJWAZVIPFRCRBI-CQSZACIVSA-N	-1	3	330.388	0.904	50	0		ECAAHM
O=C([O-])C[C@H]1CNCCN(C(=O)CCc2ccc3c(c2)OCO3)C1	ZINC000071767585	304084403	/nfs/dbraw/zinc/08/44/03/304084403.db2.gz	OVHBNXVXKBDIKU-ZDUSSCGKSA-N	-1	3	334.372	0.871	50	0		ECAAHM
CS(=O)(=O)N1CCC[C@@H](NC(=O)c2cc3c(cc2[O-])OCO3)C1	ZINC000069742996	203044596	/nfs/dbraw/zinc/04/45/96/203044596.db2.gz	JEGYFAQYXKTKHU-SECBINFHSA-N	-1	3	342.373	0.275	50	0		ECAAHM
COCCc1noc([C@H](C)[N-]S(=O)(=O)NCc2ccccc2)n1	ZINC000071750806	203106581	/nfs/dbraw/zinc/10/65/81/203106581.db2.gz	NJNZMRJMXIEOOM-NSHDSACASA-N	-1	3	340.405	0.944	50	0		ECAAHM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)N[C@@H](C)C1	ZINC000153434722	254500367	/nfs/dbraw/zinc/50/03/67/254500367.db2.gz	GQFURWXKZODURY-PHIMTYICSA-N	-1	3	342.403	0.287	50	0		ECAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)CCCn1cccn1)CC2	ZINC000299761323	258077671	/nfs/dbraw/zinc/07/76/71/258077671.db2.gz	VAWYKEJYSVREDM-UHFFFAOYSA-N	-1	3	344.419	0.852	50	0		ECAAHM
CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000293025297	296783778	/nfs/dbraw/zinc/78/37/78/296783778.db2.gz	KUAWYWIGEAFSTO-ZCFIWIBFSA-N	-1	3	332.769	0.679	50	0		ECAAHM
CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)C)CC1=O	ZINC000262879278	165396138	/nfs/dbraw/zinc/39/61/38/165396138.db2.gz	LEYWQPZXSKCWGA-YDHLFZDLSA-N	-1	3	339.436	0.545	50	0		ECAAHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCCn3ncnc32)s1	ZINC000283599026	264133259	/nfs/dbraw/zinc/13/32/59/264133259.db2.gz	SXWKXAJWAQOZHI-MRVPVSSYSA-N	-1	3	342.406	0.506	50	0		ECAAHM
CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)CCc1cc(=O)[n-]o1)C2	ZINC000220503941	289209789	/nfs/dbraw/zinc/20/97/89/289209789.db2.gz	UXSLWXINFFKZIF-AWEZNQCLSA-N	-1	3	349.391	0.147	50	0		ECAAHM
COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)[C@@H](CO)SC	ZINC000341008533	297586680	/nfs/dbraw/zinc/58/66/80/297586680.db2.gz	BVZCFYKEEZZRDP-RNFRBKRXSA-N	-1	3	340.448	0.320	50	0		ECAAHM
O=C1[N-]C(=O)c2cc(S(=O)(=O)NCCCO)cc3cccc1c32	ZINC000005027947	435982907	/nfs/dbraw/zinc/98/29/07/435982907.db2.gz	VNYASHPQCMDZAM-UHFFFAOYSA-N	-1	3	334.353	0.384	50	0		ECAAHM
O=C(CCN1CCOCC1)Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000000424990	435956216	/nfs/dbraw/zinc/95/62/16/435956216.db2.gz	SRTWFKKUJRUHKP-UHFFFAOYSA-N	-1	3	334.401	0.851	50	0		ECAAHM
Cc1cccc(N2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2)c1C	ZINC000013069629	436060195	/nfs/dbraw/zinc/06/01/95/436060195.db2.gz	WKVMFFNIDAJAON-CQSZACIVSA-N	-1	3	344.415	0.940	50	0		ECAAHM
COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC(=O)N(C2CC2)C1	ZINC000075161576	436154504	/nfs/dbraw/zinc/15/45/04/436154504.db2.gz	HFNDDSWEJAXJNR-QMMMGPOBSA-N	-1	3	344.414	0.576	50	0		ECAAHM
Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)s1	ZINC000026814079	436166222	/nfs/dbraw/zinc/16/62/22/436166222.db2.gz	YQUTWFQMEUDMST-UHFFFAOYSA-N	-1	3	329.403	0.419	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1cccc(Cn2ccnc2)c1	ZINC000042044862	436295689	/nfs/dbraw/zinc/29/56/89/436295689.db2.gz	VFJDNTWERZITHX-CQSZACIVSA-N	-1	3	341.371	0.536	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(-n2cccn2)cc1	ZINC000046698940	436399349	/nfs/dbraw/zinc/39/93/49/436399349.db2.gz	FSOLTMMEZYVLIU-ZDUSSCGKSA-N	-1	3	327.344	0.477	50	0		ECAAHM
COc1cc(CN(Cc2cc(=O)[n-]c(=O)[nH]2)C2CC2)cc2c1OCO2	ZINC000048286063	436447874	/nfs/dbraw/zinc/44/78/74/436447874.db2.gz	PUMQGUSCXBWFJA-UHFFFAOYSA-N	-1	3	345.355	0.965	50	0		ECAAHM
CCn1c(CCNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)nc2ccccc21	ZINC000091625375	436455049	/nfs/dbraw/zinc/45/50/49/436455049.db2.gz	IWSJYDVBVYUXTN-LBPRGKRZSA-N	-1	3	343.387	0.703	50	0		ECAAHM
C[C@@H]1CN(C(=O)c2cc(=O)[n-]c(=O)[nH]2)CC[C@@]1(O)C1CCOCC1	ZINC000091665541	436456197	/nfs/dbraw/zinc/45/61/97/436456197.db2.gz	JQKDRZTUGXVROI-HWPZZCPQSA-N	-1	3	337.376	0.115	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1csc(-c2ncccn2)n1	ZINC000091649696	436456807	/nfs/dbraw/zinc/45/68/07/436456807.db2.gz	VFXUHAQXMNCKAS-VIFPVBQESA-N	-1	3	346.372	0.205	50	0		ECAAHM
COc1cc2c(cc1CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O)OCCO2	ZINC000092099409	436468059	/nfs/dbraw/zinc/46/80/59/436468059.db2.gz	BFFYPDRMDUKCFS-JTQLQIEISA-N	-1	3	349.343	0.071	50	0		ECAAHM
CCCCNC(=O)[C@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)C1	ZINC000051063254	436481831	/nfs/dbraw/zinc/48/18/31/436481831.db2.gz	UKHNLHWSKJVLPF-LBPRGKRZSA-N	-1	3	346.435	0.785	50	0		ECAAHM
Cc1nc(CN2CCN(C(=O)Cc3c[nH]cn3)C[C@@H](C(=O)[O-])C2)co1	ZINC000097766630	436544872	/nfs/dbraw/zinc/54/48/72/436544872.db2.gz	WEEWDOZQSLXIBL-LBPRGKRZSA-N	-1	3	347.375	0.294	50	0		ECAAHM
O=C1Nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)[C@@]1([O-])C(F)(F)F	ZINC000101621534	436549629	/nfs/dbraw/zinc/54/96/29/436549629.db2.gz	ZQDSTXGNSHYNBA-ZDUSSCGKSA-N	-1	3	341.245	0.287	50	0		ECAAHM
CN1CCN(C(=O)CC[N-]S(=O)(=O)c2cccc(F)c2F)CC1	ZINC000058309328	436624255	/nfs/dbraw/zinc/62/42/55/436624255.db2.gz	GEZKGHPSXXMPNM-UHFFFAOYSA-N	-1	3	347.387	0.407	50	0		ECAAHM
Cc1nc(N(C)C)nc(N2CCN(c3cc(=O)[n-]c(N)n3)CC2)c1C	ZINC000065371777	436655547	/nfs/dbraw/zinc/65/55/47/436655547.db2.gz	OVBSSYBNIBSDSZ-UHFFFAOYSA-N	-1	3	344.423	0.152	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)CCc2ccc3c(c2)OCO3)n1	ZINC000219879186	436696916	/nfs/dbraw/zinc/69/69/16/436696916.db2.gz	NBGRRYBUVARAGX-UHFFFAOYSA-N	-1	3	344.371	0.968	50	0		ECAAHM
Cc1nonc1CC(=O)N[C@H]1C[C@@H](c2cc(=O)[n-]c(C3CC3)n2)C1	ZINC000220579200	436699182	/nfs/dbraw/zinc/69/91/82/436699182.db2.gz	PMIBSPUFOQMESQ-XYPYZODXSA-N	-1	3	329.360	0.944	50	0		ECAAHM
CCc1nc(C)c(CC(=O)NCc2cnc(SC)n2C)c(=O)[n-]1	ZINC000220172792	436699637	/nfs/dbraw/zinc/69/96/37/436699637.db2.gz	RWNKAQIWKZQJLO-UHFFFAOYSA-N	-1	3	335.433	0.955	50	0		ECAAHM
Cc1cc(C)nc(S[C@H](C)C(=O)NCc2c[nH]c(=O)[n-]c2=O)n1	ZINC000221360751	436700678	/nfs/dbraw/zinc/70/06/78/436700678.db2.gz	UAGZASIEAMNPPX-SECBINFHSA-N	-1	3	335.389	0.267	50	0		ECAAHM
Cc1nc(C)n(CCCNC(=O)c2cc(CC(C)C)nc(=O)[n-]2)n1	ZINC000222971652	436704014	/nfs/dbraw/zinc/70/40/14/436704014.db2.gz	NACLIHNCEWRXQO-UHFFFAOYSA-N	-1	3	332.408	0.997	50	0		ECAAHM
Cn1ccnc1[C@H](NC(=O)c1cc(-n2cnnn2)ccc1[O-])C1CC1	ZINC000223699018	436707007	/nfs/dbraw/zinc/70/70/07/436707007.db2.gz	RKVDXJQXLKXDIP-CQSZACIVSA-N	-1	3	339.359	0.983	50	0		ECAAHM
O=C(Cc1cncnc1)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000225703775	436713882	/nfs/dbraw/zinc/71/38/82/436713882.db2.gz	MJIGUGFPBLMZAR-UHFFFAOYSA-N	-1	3	326.356	0.709	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCN(C(=O)C3CCCC3)CC1)[n-]c2=O	ZINC000065429469	436661449	/nfs/dbraw/zinc/66/14/49/436661449.db2.gz	NPHKZYXZYQAJKZ-UHFFFAOYSA-N	-1	3	344.419	0.491	50	0		ECAAHM
COc1ccc(OCCCN(C)C(=O)CN2CC(=O)[N-]C2=O)cc1	ZINC000065508376	436665156	/nfs/dbraw/zinc/66/51/56/436665156.db2.gz	SWWCEVRUVPMISQ-UHFFFAOYSA-N	-1	3	335.360	0.474	50	0		ECAAHM
Cc1ccccc1-n1cc(CN(C)C(=O)CN2CC(=O)[N-]C2=O)cn1	ZINC000067879849	436728210	/nfs/dbraw/zinc/72/82/10/436728210.db2.gz	BPXXLGNWVPTJNF-UHFFFAOYSA-N	-1	3	341.371	0.691	50	0		ECAAHM
Cc1cc(C(=O)[N-]N2C(=O)N[C@@](C)(c3ccccc3)C2=O)n(C)n1	ZINC000069220101	436764850	/nfs/dbraw/zinc/76/48/50/436764850.db2.gz	FQQBRLHVYVMBHS-INIZCTEOSA-N	-1	3	327.344	0.841	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCc2ncnc(OCC)c2C1	ZINC000254834434	436849733	/nfs/dbraw/zinc/84/97/33/436849733.db2.gz	IMEQGCBEJCUILP-UHFFFAOYSA-N	-1	3	344.419	0.901	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCN(C[C@H](C)O)[C@H](CC)C1	ZINC000252504998	436837061	/nfs/dbraw/zinc/83/70/61/436837061.db2.gz	HPGWGIGEDIPEDL-LSDHHAIUSA-N	-1	3	337.468	0.431	50	0		ECAAHM
O=C(NCc1ccco1)[C@@H]1CCCN1c1nc2nncc-2c(O)[n-]1	ZINC000134901183	436906870	/nfs/dbraw/zinc/90/68/70/436906870.db2.gz	NSMLZKPITGIQAQ-NSHDSACASA-N	-1	3	328.332	0.524	50	0		ECAAHM
CS(=O)(=O)C(Cc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000299745377	437111127	/nfs/dbraw/zinc/11/11/27/437111127.db2.gz	YMCLLBHBAQTJCR-OLZOCXBDSA-N	-1	3	325.386	0.575	50	0		ECAAHM
O=C(Cn1cnc([N-]C(=O)c2cnccn2)n1)N1CCCCCC1	ZINC000069536957	303662877	/nfs/dbraw/zinc/66/28/77/303662877.db2.gz	BREMKUSABBQEKU-UHFFFAOYSA-N	-1	3	329.364	0.723	50	0		ECAAHM
COc1nc(C[N-]S(=O)(=O)c2cccc(F)c2)nc(N(C)C)n1	ZINC000575605789	438750759	/nfs/dbraw/zinc/75/07/59/438750759.db2.gz	FQDDRTLDUDNSMJ-UHFFFAOYSA-N	-1	3	341.368	0.564	50	0		ECAAHM
O=C(c1cccc(-n2cccn2)c1)N1CC(Cn2c([O-])coc2=O)C1	ZINC000575615065	438751670	/nfs/dbraw/zinc/75/16/70/438751670.db2.gz	BPIDUWGXAGPJJG-UHFFFAOYSA-N	-1	3	340.339	0.923	50	0		ECAAHM
COc1c[n-]c(C(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1=O	ZINC000604419033	439315435	/nfs/dbraw/zinc/31/54/35/439315435.db2.gz	NTWNBEJGGVYYCF-UHFFFAOYSA-N	-1	3	328.284	0.166	50	0		ECAAHM
COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1	ZINC000585114527	439632973	/nfs/dbraw/zinc/63/29/73/439632973.db2.gz	HPSZBLIORRUYPD-LLVKDONJSA-N	-1	3	325.745	0.681	50	0		ECAAHM
Cn1cc(-c2noc(C[N-]S(=O)(=O)N3CCCCCC3)n2)cn1	ZINC000585149462	439635569	/nfs/dbraw/zinc/63/55/69/439635569.db2.gz	URXHDMDCEKUEPJ-UHFFFAOYSA-N	-1	3	340.409	0.681	50	0		ECAAHM
CCCCn1[n-]ccc1=NC(=O)CN1CCO[C@@H](Cn2cccn2)C1	ZINC000618251097	440087377	/nfs/dbraw/zinc/08/73/77/440087377.db2.gz	KDNDDWNQUFUDQQ-OAHLLOKOSA-N	-1	3	346.435	0.641	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(C)=O)cn1	ZINC000408522464	290788744	/nfs/dbraw/zinc/78/87/44/290788744.db2.gz	JMHKOWHYLXOCDH-LBPRGKRZSA-N	-1	3	325.390	0.573	50	0		ECAAHM
CCCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl	ZINC000027957276	202162743	/nfs/dbraw/zinc/16/27/43/202162743.db2.gz	ZDAPNESUFSMELM-UHFFFAOYSA-N	-1	3	348.808	0.931	50	0		ECAAHM
C[C@@]1(c2cccc(NC(=O)Cn3ccccc3=O)c2)NC(=O)[N-]C1=O	ZINC000040111046	202170456	/nfs/dbraw/zinc/17/04/56/202170456.db2.gz	JAJQQZUAVINJMX-KRWDZBQOSA-N	-1	3	340.339	0.542	50	0		ECAAHM
CCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000032916388	202241515	/nfs/dbraw/zinc/24/15/15/202241515.db2.gz	VNXHDIFWPSJZGO-UHFFFAOYSA-N	-1	3	328.362	0.182	50	0		ECAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)Nc1ccc(OC(C)C)cc1	ZINC000033330757	202258598	/nfs/dbraw/zinc/25/85/98/202258598.db2.gz	KWDFVZAUSJRSSO-UHFFFAOYSA-N	-1	3	339.373	0.960	50	0		ECAAHM
C[C@H]1CCC[C@@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1	ZINC000033183603	202252036	/nfs/dbraw/zinc/25/20/36/202252036.db2.gz	SAWYORIHUPZYPL-DTWKUNHWSA-N	-1	3	344.209	0.994	50	0		ECAAHM
CCN(CCN(C)C)c1ncc(NS(=O)(=O)CC)cc1C(=O)[O-]	ZINC000035397468	202301443	/nfs/dbraw/zinc/30/14/43/202301443.db2.gz	TVHZCJIKWXPUFJ-UHFFFAOYSA-N	-1	3	344.437	0.929	50	0		ECAAHM
Cn1cc(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)c(=O)[n-]c1=O	ZINC000216454358	241194146	/nfs/dbraw/zinc/19/41/46/241194146.db2.gz	QZFMXIGVJBOSSK-CQSZACIVSA-N	-1	3	328.372	0.203	50	0		ECAAHM
Cn1cc(C(=O)NC[C@@H]2CCCN(c3ccccn3)C2)c(=O)[n-]c1=O	ZINC000218864168	241348601	/nfs/dbraw/zinc/34/86/01/241348601.db2.gz	ZXNFUZNMIULOOH-LBPRGKRZSA-N	-1	3	343.387	0.115	50	0		ECAAHM
Cc1ccc2c(COC(=O)CN3CC(=O)[N-]C3=O)cc(=O)oc2c1	ZINC000069615348	203026391	/nfs/dbraw/zinc/02/63/91/203026391.db2.gz	NNYGAXLEWKNUCB-UHFFFAOYSA-N	-1	3	330.296	0.696	50	0		ECAAHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)Cn2cncn2)c1	ZINC000069846763	203056283	/nfs/dbraw/zinc/05/62/83/203056283.db2.gz	KTHWUSXVGNHCHE-SECBINFHSA-N	-1	3	342.352	0.571	50	0		ECAAHM
Cc1noc(C)c1CN1CCN(Cc2oc(CO)cc(=O)c2[O-])CC1	ZINC000071282874	203089838	/nfs/dbraw/zinc/08/98/38/203089838.db2.gz	DCSUKVGDRDAERT-UHFFFAOYSA-N	-1	3	349.387	0.760	50	0		ECAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)CSc1ncccn1)C2	ZINC000072134642	203166707	/nfs/dbraw/zinc/16/67/07/203166707.db2.gz	BZYNIGCDUVWFCX-UHFFFAOYSA-N	-1	3	346.416	0.303	50	0		ECAAHM
COC(=O)c1cccc(CS(=O)(=O)[N-]Cc2noc(C)n2)c1	ZINC000076062205	203333803	/nfs/dbraw/zinc/33/38/03/203333803.db2.gz	UZYVGWXWJZGLIU-UHFFFAOYSA-N	-1	3	325.346	0.784	50	0		ECAAHM
CN1CC2(CCN(C(=O)c3ccccc3-c3nnn[n-]3)CC2)OC1=O	ZINC000077285975	203377312	/nfs/dbraw/zinc/37/73/12/203377312.db2.gz	NHGBNJYADZNNRM-UHFFFAOYSA-N	-1	3	342.359	0.924	50	0		ECAAHM
CN1CC2(CCN(C(=O)c3ccccc3-c3nn[n-]n3)CC2)OC1=O	ZINC000077285975	203377315	/nfs/dbraw/zinc/37/73/15/203377315.db2.gz	NHGBNJYADZNNRM-UHFFFAOYSA-N	-1	3	342.359	0.924	50	0		ECAAHM
CS(=O)(=O)N1CCC[C@@H](C(=O)N2NC=C[C@]2([O-])C(F)(F)F)C1	ZINC000103155037	206398572	/nfs/dbraw/zinc/39/85/72/206398572.db2.gz	PLFJVOHFGLTJOV-SCZZXKLOSA-N	-1	3	343.327	0.127	50	0		ECAAHM
C[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](CS(=O)(=O)[N-]Cc2ccco2)C1	ZINC000521397003	257946777	/nfs/dbraw/zinc/94/67/77/257946777.db2.gz	GBDNWGIGWWLYKU-BNOWGMLFSA-N	-1	3	342.417	0.582	50	0		ECAAHM
Cc1nn2cc(CNC(=O)Cc3c(C)nc(C)[n-]c3=O)nc2s1	ZINC000216022985	258072269	/nfs/dbraw/zinc/07/22/69/258072269.db2.gz	MBOBYHPQJLGQQH-UHFFFAOYSA-N	-1	3	332.389	0.658	50	0		ECAAHM
CC[C@H](COC)NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067541405	287889391	/nfs/dbraw/zinc/88/93/91/287889391.db2.gz	XXJYKJHHKNSYAE-MRVPVSSYSA-N	-1	3	348.446	0.795	50	0		ECAAHM
COc1cccc2c1OC[C@]1(C(=O)[O-])CN(C(=O)C(C)(C)N)C[C@H]21	ZINC000095500692	295340943	/nfs/dbraw/zinc/34/09/43/295340943.db2.gz	SJFNSOFUVWWNAI-PIGZYNQJSA-N	-1	3	334.372	0.822	50	0		ECAAHM
COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCCNC2=O)oc1C	ZINC000001026096	435959604	/nfs/dbraw/zinc/95/96/04/435959604.db2.gz	LLULVRWLCTYHMT-SNVBAGLBSA-N	-1	3	330.362	0.322	50	0		ECAAHM
CS(=O)(=O)N1CCC(C(=O)N2NC=C[C@@]2([O-])C(F)(F)F)CC1	ZINC000006519898	435999103	/nfs/dbraw/zinc/99/91/03/435999103.db2.gz	WBFUITSUACFILI-SNVBAGLBSA-N	-1	3	343.327	0.127	50	0		ECAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)C(C)(C)n1cccc1)C2	ZINC000071770867	436010534	/nfs/dbraw/zinc/01/05/34/436010534.db2.gz	IYINJMZTQGVVFY-UHFFFAOYSA-N	-1	3	329.404	0.957	50	0		ECAAHM
COc1ccc(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cn1	ZINC000007942337	436019631	/nfs/dbraw/zinc/01/96/31/436019631.db2.gz	YKBPSTKMBWYPIS-UHFFFAOYSA-N	-1	3	326.312	0.732	50	0		ECAAHM
CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCOCC1	ZINC000015783167	436082639	/nfs/dbraw/zinc/08/26/39/436082639.db2.gz	SCOQDEQEENKWFZ-LBPRGKRZSA-N	-1	3	332.447	0.910	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCCc1nc(-c2ccccc2)no1	ZINC000091536737	436453446	/nfs/dbraw/zinc/45/34/46/436453446.db2.gz	QGUAGIIXAOIUEJ-LLVKDONJSA-N	-1	3	343.343	0.384	50	0		ECAAHM
COCCc1noc([C@@H]2CCCN(C(=O)c3cnc(C)[n-]c3=O)C2)n1	ZINC000091755556	436458987	/nfs/dbraw/zinc/45/89/87/436458987.db2.gz	TVZAVMQXRRIQQG-LLVKDONJSA-N	-1	3	347.375	0.670	50	0		ECAAHM
CCOC(=O)N[C@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)C1	ZINC000052828180	436516665	/nfs/dbraw/zinc/51/66/65/436516665.db2.gz	JOQDPRCAIZAOHU-JTQLQIEISA-N	-1	3	334.380	0.367	50	0		ECAAHM
CCCc1nnc(NC(=O)CS(=O)(=O)[N-]C[C@H]2CCCO2)s1	ZINC000096405441	436531769	/nfs/dbraw/zinc/53/17/69/436531769.db2.gz	BKNPHBBREULPMW-SECBINFHSA-N	-1	3	348.450	0.528	50	0		ECAAHM
Cn1nc2c(cc1=O)CN(Cc1nc(C(F)(F)F)cc(=O)[n-]1)CC2	ZINC000097229897	436542208	/nfs/dbraw/zinc/54/22/08/436542208.db2.gz	QHVWCVQCPUFKJB-UHFFFAOYSA-N	-1	3	341.293	0.441	50	0		ECAAHM
Cc1ccc2[nH]c(CCC(=O)NCc3c[nH]c(=O)[n-]c3=O)nc2c1C	ZINC000221202527	436701192	/nfs/dbraw/zinc/70/11/92/436701192.db2.gz	NOEPAQZAEUKHRA-UHFFFAOYSA-N	-1	3	341.371	0.805	50	0		ECAAHM
Cc1ncn(CCNC(=O)C[N-]S(=O)(=O)c2cccs2)c1C	ZINC000221203452	436701319	/nfs/dbraw/zinc/70/13/19/436701319.db2.gz	PPURTIVESLCSFF-UHFFFAOYSA-N	-1	3	342.446	0.656	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O	ZINC000245287324	436760741	/nfs/dbraw/zinc/76/07/41/436760741.db2.gz	BXOFHVOKWVJUHK-HNNXBMFYSA-N	-1	3	341.415	0.566	50	0		ECAAHM
C[C@@]1(c2ccc(C(=O)NCC3(C)OCCCO3)cc2)NC(=O)[N-]C1=O	ZINC000170612285	436948481	/nfs/dbraw/zinc/94/84/81/436948481.db2.gz	FWJJZIMSPBKKBR-KRWDZBQOSA-N	-1	3	347.371	0.624	50	0		ECAAHM
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccncc1	ZINC000408514261	438581884	/nfs/dbraw/zinc/58/18/84/438581884.db2.gz	MVLQUKGPQTVUMM-UHFFFAOYSA-N	-1	3	341.414	0.555	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](C)n3ccnc32)cn1	ZINC000408522186	438582145	/nfs/dbraw/zinc/58/21/45/438582145.db2.gz	FERXBKVYJSZUEA-MWLCHTKSSA-N	-1	3	335.389	0.622	50	0		ECAAHM
Cc1nnc2n1CCN(CC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1)C2	ZINC000588080478	438817264	/nfs/dbraw/zinc/81/72/64/438817264.db2.gz	GQPPSUOCAZCVGB-NSHDSACASA-N	-1	3	329.408	0.630	50	0		ECAAHM
COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000582358074	439324275	/nfs/dbraw/zinc/32/42/75/439324275.db2.gz	CFJOSNZTFVFVME-BFHYXJOUSA-N	-1	3	327.425	0.849	50	0		ECAAHM
COC(=O)[C@](C)(CO)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1	ZINC000585114528	439632798	/nfs/dbraw/zinc/63/27/98/439632798.db2.gz	HPSZBLIORRUYPD-NSHDSACASA-N	-1	3	325.745	0.681	50	0		ECAAHM
Cc1ncncc1C(=O)NC[C@H]1CCCN(c2cc(=O)[n-]cn2)C1	ZINC000952985166	612140285	/nfs/dbraw/zinc/14/02/85/612140285.db2.gz	PNQAGNSNVNKWMU-GFCCVEGCSA-N	-1	3	328.376	0.927	50	0		ECAAHM
Cc1ncc(C(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)c(=O)[n-]1	ZINC000091997716	612533455	/nfs/dbraw/zinc/53/34/55/612533455.db2.gz	CANONZWBKLTMIN-LLVKDONJSA-N	-1	3	329.360	0.547	50	0		ECAAHM
CC(C)CC(=O)NCC[N-]S(=O)(=O)c1cccc2nonc21	ZINC000036351181	202323143	/nfs/dbraw/zinc/32/31/43/202323143.db2.gz	KFVRWZRYGQZVDU-UHFFFAOYSA-N	-1	3	326.378	0.663	50	0		ECAAHM
CCNC(=O)C[C@@H]1C(=O)N(CC)C(=S)N1[N-]C(=O)c1cccnc1	ZINC000000107976	201435330	/nfs/dbraw/zinc/43/53/30/201435330.db2.gz	RGNDVAVSFOQRDN-LLVKDONJSA-N	-1	3	349.416	0.070	50	0		ECAAHM
O=C(NCCCNc1cccnc1)c1cc(-n2cnnn2)ccc1[O-]	ZINC000219143950	241366447	/nfs/dbraw/zinc/36/64/47/241366447.db2.gz	PGZMYKSNZWRCHM-UHFFFAOYSA-N	-1	3	339.359	0.995	50	0		ECAAHM
Cc1cc(C)c(NC(=O)COC(=O)c2[nH]c(=O)[n-]c(=O)c2N)c(C)c1	ZINC000003233070	201560819	/nfs/dbraw/zinc/56/08/19/201560819.db2.gz	APFKSKAJTHJEAJ-UHFFFAOYSA-N	-1	3	346.343	0.366	50	0		ECAAHM
CCc1nc(C)c(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)c(=O)[n-]1	ZINC000071750599	203107253	/nfs/dbraw/zinc/10/72/53/203107253.db2.gz	JLUPCEIJJQEOKC-SNVBAGLBSA-N	-1	3	333.310	0.973	50	0		ECAAHM
O=C(NCCCN1CCN(c2ccccc2F)CC1)c1c[n-]nn1	ZINC000071889148	203139154	/nfs/dbraw/zinc/13/91/54/203139154.db2.gz	JLOCHKOAIBFBBI-UHFFFAOYSA-N	-1	3	332.383	0.886	50	0		ECAAHM
O=C(NCCCN1CCN(c2ccccc2F)CC1)c1cnn[n-]1	ZINC000071889148	203139157	/nfs/dbraw/zinc/13/91/57/203139157.db2.gz	JLOCHKOAIBFBBI-UHFFFAOYSA-N	-1	3	332.383	0.886	50	0		ECAAHM
O=C(NCCCN1CCN(c2ccccc2F)CC1)c1cn[n-]n1	ZINC000071889148	203139161	/nfs/dbraw/zinc/13/91/61/203139161.db2.gz	JLOCHKOAIBFBBI-UHFFFAOYSA-N	-1	3	332.383	0.886	50	0		ECAAHM
Cc1ncc(C(=O)N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[n-]1	ZINC000072438206	203224554	/nfs/dbraw/zinc/22/45/54/203224554.db2.gz	PUCFXARLBZQTER-TXEJJXNPSA-N	-1	3	334.420	0.792	50	0		ECAAHM
Cc1ccc(C)c(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)c1	ZINC000040481190	203233928	/nfs/dbraw/zinc/23/39/28/203233928.db2.gz	KSWLRIRAUCNSFH-UHFFFAOYSA-N	-1	3	337.401	0.666	50	0		ECAAHM
Cc1nccn1CC[C@@H]1CCCCN1C(=O)Cc1c[nH]c(=O)[n-]c1=O	ZINC000077387150	203385264	/nfs/dbraw/zinc/38/52/64/203385264.db2.gz	YSPCOCKTNAZJHY-AWEZNQCLSA-N	-1	3	345.403	0.582	50	0		ECAAHM
CCn1c(N)nc2cc(C(=O)NCCc3nc(C)cc(=O)[n-]3)cnc21	ZINC000077426264	203388801	/nfs/dbraw/zinc/38/88/01/203388801.db2.gz	SREWIWHFVXZJIX-UHFFFAOYSA-N	-1	3	341.375	0.398	50	0		ECAAHM
O=C1C[C@H](Nc2cc(=O)[n-]c(=O)[nH]2)C(=O)N1c1ccccc1Cl	ZINC000100726814	203997303	/nfs/dbraw/zinc/99/73/03/203997303.db2.gz	HPTYSYFZDQQZJS-QMMMGPOBSA-N	-1	3	334.719	0.600	50	0		ECAAHM
CCOC(=O)CNc1nc(Oc2ccc(=O)[n-]n2)nc(N(C)C)n1	ZINC000004391625	205703508	/nfs/dbraw/zinc/70/35/08/205703508.db2.gz	OFFNDOALGKHZGE-UHFFFAOYSA-N	-1	3	335.324	0.201	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1cnn(-c2cccc(F)c2)c1	ZINC000091871514	218080869	/nfs/dbraw/zinc/08/08/69/218080869.db2.gz	QSYDBOKMZISULQ-CYBMUJFWSA-N	-1	3	345.334	0.616	50	0		ECAAHM
Cc1cc(=O)c(OCC(=O)Nc2ccc3nn[n-]c(=O)c3c2)cn1C	ZINC000524735211	257841724	/nfs/dbraw/zinc/84/17/24/257841724.db2.gz	GOPGQXGAANILJN-UHFFFAOYSA-N	-1	3	341.327	0.755	50	0		ECAAHM
CN1C[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2)C[C@H]1C(=O)[O-]	ZINC000299791682	258097604	/nfs/dbraw/zinc/09/76/04/258097604.db2.gz	FEPDLBQZXLHVSD-GJZGRUSLSA-N	-1	3	328.372	0.819	50	0		ECAAHM
CN1CCN([C@H]2CN(C(=O)c3ccc(Cl)cc3[O-])C[C@@H]2O)CC1	ZINC000299762431	258079248	/nfs/dbraw/zinc/07/92/48/258079248.db2.gz	WGSQFYDBCVAXBB-ZFWWWQNUSA-N	-1	3	339.823	0.478	50	0		ECAAHM
O=C(Cn1[n-]c(=O)ccc1=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000089826326	295564147	/nfs/dbraw/zinc/56/41/47/295564147.db2.gz	KNLNGARYLPHIFX-OAHLLOKOSA-N	-1	3	342.399	0.902	50	0		ECAAHM
COc1ccc(CCn2c(=S)[nH]c3c2c(=O)[n-]c(=O)n3C)cc1	ZINC000002209546	435963597	/nfs/dbraw/zinc/96/35/97/435963597.db2.gz	FLTXTMXCEKCKKP-UHFFFAOYSA-N	-1	3	332.385	0.963	50	0		ECAAHM
CC(C)(C)NC(=O)COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O	ZINC000002662057	435968973	/nfs/dbraw/zinc/96/89/73/435968973.db2.gz	HEQPUXUBYKUEJY-UHFFFAOYSA-N	-1	3	333.344	0.560	50	0		ECAAHM
CSCc1nc(CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)cs1	ZINC000091603197	436453926	/nfs/dbraw/zinc/45/39/26/436453926.db2.gz	IQOOASQAMZCMAA-MRVPVSSYSA-N	-1	3	328.419	0.611	50	0		ECAAHM
Cc1nccn1CCC1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)CC1	ZINC000091780021	436460371	/nfs/dbraw/zinc/46/03/71/436460371.db2.gz	CZZJAWQYDWPPFM-AWEZNQCLSA-N	-1	3	347.419	0.808	50	0		ECAAHM
O=C([O-])C[N@@H+]1C[C@H](NC(=O)c2cc(C(F)(F)F)n[n-]2)[C@@H](C2CC2)C1	ZINC000091876613	436462129	/nfs/dbraw/zinc/46/21/29/436462129.db2.gz	UOGKOOLELGWMCK-SCZZXKLOSA-N	-1	3	346.309	0.953	50	0		ECAAHM
O=C([O-])C[N@H+]1C[C@H](NC(=O)c2cc(C(F)(F)F)n[n-]2)[C@@H](C2CC2)C1	ZINC000091876613	436462132	/nfs/dbraw/zinc/46/21/32/436462132.db2.gz	UOGKOOLELGWMCK-SCZZXKLOSA-N	-1	3	346.309	0.953	50	0		ECAAHM
CC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1N1CCOCC1	ZINC000089948595	436423996	/nfs/dbraw/zinc/42/39/96/436423996.db2.gz	FFJJQNCULMPJJS-GDBMZVCRSA-N	-1	3	348.447	0.498	50	0		ECAAHM
COc1cccc2c1OC[C@@H](C[N-]S(=O)(=O)c1cn(C)cn1)C2	ZINC000095377297	436491473	/nfs/dbraw/zinc/49/14/73/436491473.db2.gz	DAXGPEMZQQETOV-LLVKDONJSA-N	-1	3	337.401	0.958	50	0		ECAAHM
CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000095407434	436494550	/nfs/dbraw/zinc/49/45/50/436494550.db2.gz	ICRFJOWOMHETLN-MNOVXSKESA-N	-1	3	334.380	0.027	50	0		ECAAHM
CS(=O)(=O)N1CCC(NC(=O)Nc2cccc3n[n-]nc32)CC1	ZINC000095512404	436498651	/nfs/dbraw/zinc/49/86/51/436498651.db2.gz	XMXLOTOQNCDODU-UHFFFAOYSA-N	-1	3	338.393	0.503	50	0		ECAAHM
Cc1cc2ncc(C(=O)N3C[C@H](N)[C@@H](c4ccc(C)o4)C3)c(=O)n2[n-]1	ZINC000102048091	436550710	/nfs/dbraw/zinc/55/07/10/436550710.db2.gz	SMTZVZRPWDPJJC-STQMWFEESA-N	-1	3	341.371	0.799	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCC(=O)NCc2ccsc2)cn1C	ZINC000058406452	436625611	/nfs/dbraw/zinc/62/56/11/436625611.db2.gz	TZXPRZJSVSPPAE-UHFFFAOYSA-N	-1	3	342.446	0.775	50	0		ECAAHM
COCCn1c(=O)[n-]c(=O)c(NCc2ccccc2)c1NC(C)=O	ZINC000060372031	436632914	/nfs/dbraw/zinc/63/29/14/436632914.db2.gz	REIJUIHWMWTGKP-UHFFFAOYSA-N	-1	3	332.360	0.754	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCCN(c3nccs3)CC1)[n-]c2=O	ZINC000065414176	436659526	/nfs/dbraw/zinc/65/95/26/436659526.db2.gz	OHYPIODXRQNHEM-UHFFFAOYSA-N	-1	3	345.432	0.825	50	0		ECAAHM
Cc1cc([N-]C(=O)[C@H](C)N2CCO[C@@H](CNc3cccnn3)C2)on1	ZINC000229300638	436714764	/nfs/dbraw/zinc/71/47/64/436714764.db2.gz	RHBBLNFRYFUWAO-STQMWFEESA-N	-1	3	346.391	0.913	50	0		ECAAHM
C[C@H](CCNC(=O)c1cc(-n2cnnn2)ccc1[O-])n1ccnc1	ZINC000220344741	436698788	/nfs/dbraw/zinc/69/87/88/436698788.db2.gz	SPTBKTQHULQCKZ-LLVKDONJSA-N	-1	3	327.348	0.946	50	0		ECAAHM
CO[C@@H](C)CS(=O)(=O)[N-][C@H](C)C(=O)N1CCc2ccccc21	ZINC000225672720	436713576	/nfs/dbraw/zinc/71/35/76/436713576.db2.gz	AZURFLDYNXTACG-NWDGAFQWSA-N	-1	3	326.418	0.919	50	0		ECAAHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)NC[C@H]3CCCO3)CC2)n1	ZINC000238961485	436757704	/nfs/dbraw/zinc/75/77/04/436757704.db2.gz	YMZKAMPOAZMHMD-CYBMUJFWSA-N	-1	3	335.408	0.938	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)N1CC[C@H](CO)C1)CNCC2	ZINC000067513987	436715738	/nfs/dbraw/zinc/71/57/38/436715738.db2.gz	IDNDTOFXOZPYCE-QMMMGPOBSA-N	-1	3	346.430	0.095	50	0		ECAAHM
O=C(NCCn1[n-]c(=O)c2ccccc2c1=O)N1CCSCC1	ZINC000426387371	438056227	/nfs/dbraw/zinc/05/62/27/438056227.db2.gz	ZGLVNVUJQFFYNT-UHFFFAOYSA-N	-1	3	334.401	0.861	50	0		ECAAHM
COc1cccc(C(=O)N2CCN(c3cc(=O)[n-]c(N)n3)CC2)c1C	ZINC000426425477	438057755	/nfs/dbraw/zinc/05/77/55/438057755.db2.gz	QZJDOTRBSQMULN-UHFFFAOYSA-N	-1	3	343.387	1.044	50	0		ECAAHM
Cn1cccc1CCC(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000426434861	438060329	/nfs/dbraw/zinc/06/03/29/438060329.db2.gz	PLTBSAJTTBLQJL-UHFFFAOYSA-N	-1	3	330.392	0.384	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cnc(C3CC3)o2)cn1	ZINC000408522387	438582639	/nfs/dbraw/zinc/58/26/39/438582639.db2.gz	IGWLVIVEMWJFMR-UHFFFAOYSA-N	-1	3	336.373	0.785	50	0		ECAAHM
COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000582358077	439325057	/nfs/dbraw/zinc/32/50/57/439325057.db2.gz	CFJOSNZTFVFVME-MJBXVCDLSA-N	-1	3	327.425	0.849	50	0		ECAAHM
CC(C)Cc1cc(C[N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)on1	ZINC000670451107	548014622	/nfs/dbraw/zinc/01/46/22/548014622.db2.gz	DWCUWYLHGJFQEM-LBPRGKRZSA-N	-1	3	336.435	0.480	50	0		ECAAHM
C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1nnnn1C1CC1	ZINC000190288071	608852895	/nfs/dbraw/zinc/85/28/95/608852895.db2.gz	POMITCJHSRMNKI-QMMMGPOBSA-N	-1	3	325.332	0.736	50	0		ECAAHM
Cc1nc(C)c(CC(=O)NC[C@H](O)COc2ccccc2)c(=O)[n-]1	ZINC000031418158	202205785	/nfs/dbraw/zinc/20/57/85/202205785.db2.gz	WCMJDGVONQEHNU-ZDUSSCGKSA-N	-1	3	331.372	0.485	50	0		ECAAHM
O=C(C[N-]S(=O)(=O)/C=C\c1ccccc1)O[C@H]1CCOC1=O	ZINC000033438713	202261990	/nfs/dbraw/zinc/26/19/90/202261990.db2.gz	NNAIANGKKQSNFB-UPZNUWHASA-N	-1	3	325.342	0.435	50	0		ECAAHM
CCc1csc([C@@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)n1	ZINC000072282470	202360986	/nfs/dbraw/zinc/36/09/86/202360986.db2.gz	CYXKKDAGCKENCX-SNVBAGLBSA-N	-1	3	336.417	0.963	50	0		ECAAHM
Cc1nccn1-c1ccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000216224971	241174890	/nfs/dbraw/zinc/17/48/90/241174890.db2.gz	FSWDNEAHWHLPLP-ZDUSSCGKSA-N	-1	3	327.344	0.395	50	0		ECAAHM
Cc1ccc2c(c1)C[C@@H](C(=O)NCCNc1nc(C)cc(=O)[n-]1)N2	ZINC000217140035	241237711	/nfs/dbraw/zinc/23/77/11/241237711.db2.gz	MMUFNWJDVMMYQO-AWEZNQCLSA-N	-1	3	327.388	0.952	50	0		ECAAHM
Nc1nc([C@H]2C[C@@H](NC(=O)Cn3nc4ccccc4n3)C2)cc(=O)[n-]1	ZINC000253535734	244010393	/nfs/dbraw/zinc/01/03/93/244010393.db2.gz	OJRZSIVIVMDEMM-AOOOYVTPSA-N	-1	3	339.359	0.572	50	0		ECAAHM
Nc1nc(N2CCN(CC(=O)NCc3cccs3)CC2)cc(=O)[n-]1	ZINC000253537107	244015444	/nfs/dbraw/zinc/01/54/44/244015444.db2.gz	XSFDHVCNJOVCFL-UHFFFAOYSA-N	-1	3	348.432	0.264	50	0		ECAAHM
CCc1nc(C)c(CC(=O)N2CCC[C@@H](N3CCCC3=O)C2)c(=O)[n-]1	ZINC000071762548	203110169	/nfs/dbraw/zinc/11/01/69/203110169.db2.gz	IQXFLYSQDPWCCT-CYBMUJFWSA-N	-1	3	346.431	0.797	50	0		ECAAHM
CCn1ncc(C(=O)N2CCc3c(=O)[n-]c(N(C)C)nc3C2)c1C	ZINC000072163505	203177296	/nfs/dbraw/zinc/17/72/96/203177296.db2.gz	KMBAMUIDCGGMIJ-UHFFFAOYSA-N	-1	3	330.392	0.559	50	0		ECAAHM
Cn1ccnc1[C@H](O)C1CCN(Cc2cc(=O)n3[n-]cnc3n2)CC1	ZINC000334159612	258004375	/nfs/dbraw/zinc/00/43/75/258004375.db2.gz	NDKUARLMYLSCGZ-CQSZACIVSA-N	-1	3	343.391	0.097	50	0		ECAAHM
CC(C)[C@@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)C(N)=O	ZINC000230272625	279908409	/nfs/dbraw/zinc/90/84/09/279908409.db2.gz	URRJIEXURAYXOY-NVBFEUDRSA-N	-1	3	330.450	0.811	50	0		ECAAHM
CN1[C@@H](c2ccccc2F)[C@@H](CNC(=O)c2c[n-]nn2)C[C@H]1CO	ZINC000072174522	436036117	/nfs/dbraw/zinc/03/61/17/436036117.db2.gz	YHCCEOVKCUYMQM-JRPNMDOOSA-N	-1	3	333.367	0.728	50	0		ECAAHM
CN1[C@@H](c2ccccc2F)[C@@H](CNC(=O)c2cn[n-]n2)C[C@H]1CO	ZINC000072174522	436036126	/nfs/dbraw/zinc/03/61/26/436036126.db2.gz	YHCCEOVKCUYMQM-JRPNMDOOSA-N	-1	3	333.367	0.728	50	0		ECAAHM
CN1[C@@H](c2ccccc2F)[C@@H](CNC(=O)c2cnn[n-]2)C[C@H]1CO	ZINC000072174522	436036130	/nfs/dbraw/zinc/03/61/30/436036130.db2.gz	YHCCEOVKCUYMQM-JRPNMDOOSA-N	-1	3	333.367	0.728	50	0		ECAAHM
CN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000011702084	436046169	/nfs/dbraw/zinc/04/61/69/436046169.db2.gz	QJBFWLGZAYQNPZ-GFCCVEGCSA-N	-1	3	346.430	0.317	50	0		ECAAHM
C[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)O[C@@H]1CCOC1=O	ZINC000006049526	435995939	/nfs/dbraw/zinc/99/59/39/435995939.db2.gz	HOQCNKKVOMNOER-YRFMYUJQSA-N	-1	3	339.369	0.824	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(N2CCCC2=O)cc1	ZINC000012899531	436056375	/nfs/dbraw/zinc/05/63/75/436056375.db2.gz	YIILXTUDLZVMIF-LBPRGKRZSA-N	-1	3	330.344	0.740	50	0		ECAAHM
Cc1ccc2c(n1)[n-]cc(C(=O)NC1CCN(CC(N)=O)CC1)c2=O	ZINC000040553455	436265817	/nfs/dbraw/zinc/26/58/17/436265817.db2.gz	LMXINLTYFIJLLR-UHFFFAOYSA-N	-1	3	343.387	0.323	50	0		ECAAHM
Cc1ccc2c([O-])c(C(=O)NC3CCN(CC(N)=O)CC3)cnc2n1	ZINC000040553455	436265819	/nfs/dbraw/zinc/26/58/19/436265819.db2.gz	LMXINLTYFIJLLR-UHFFFAOYSA-N	-1	3	343.387	0.323	50	0		ECAAHM
CC1(C)Cc2cccc(OCCNC(=O)C[C@H]3NC(=O)[N-]C3=O)c2O1	ZINC000042724007	436313180	/nfs/dbraw/zinc/31/31/80/436313180.db2.gz	GPUOWDLMWXFHPC-LLVKDONJSA-N	-1	3	347.371	0.493	50	0		ECAAHM
CCS(=O)(=O)N1CCC(NC(=O)c2ccc3n[n-]nc3c2)CC1	ZINC000042809788	436319418	/nfs/dbraw/zinc/31/94/18/436319418.db2.gz	KODRENWHPUTNAD-UHFFFAOYSA-N	-1	3	337.405	0.502	50	0		ECAAHM
Cc1nc([C@H]2CCCN(C(=O)CCc3nncn3C)C2)cc(=O)[n-]1	ZINC000091746461	436458320	/nfs/dbraw/zinc/45/83/20/436458320.db2.gz	SHXBNYBDKHHJMC-LBPRGKRZSA-N	-1	3	330.392	0.546	50	0		ECAAHM
Cc1nccn1CCC1CCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)CC1	ZINC000091780016	436459910	/nfs/dbraw/zinc/45/99/10/436459910.db2.gz	CZZJAWQYDWPPFM-CQSZACIVSA-N	-1	3	347.419	0.808	50	0		ECAAHM
Cc1cc(C)n(-c2ccc(NC(=O)C[C@H]3NC(=O)[N-]C3=O)cn2)n1	ZINC000048841300	436460565	/nfs/dbraw/zinc/46/05/65/436460565.db2.gz	VGCWFHVPJOMOAG-LLVKDONJSA-N	-1	3	328.332	0.421	50	0		ECAAHM
O=C([O-])[C@@]12CN(Cc3cnc[nH]3)C[C@@H]1CN(C(=O)NC1CCCC1)C2	ZINC000092003062	436465282	/nfs/dbraw/zinc/46/52/82/436465282.db2.gz	WTHXAPHTGNNXLJ-SJKOYZFVSA-N	-1	3	347.419	0.880	50	0		ECAAHM
C[C@H](CCO)C[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2	ZINC000089895576	436420106	/nfs/dbraw/zinc/42/01/06/436420106.db2.gz	BIRUGJXZXNETRE-MRVPVSSYSA-N	-1	3	348.808	0.968	50	0		ECAAHM
COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(CCOCCO)C[C@H]21	ZINC000095501125	436496588	/nfs/dbraw/zinc/49/65/88/436496588.db2.gz	WJWKARAGTOAIIA-RHSMWYFYSA-N	-1	3	337.372	0.567	50	0		ECAAHM
Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)N[C@H]1CCN(C)C1	ZINC000054222874	436548040	/nfs/dbraw/zinc/54/80/40/436548040.db2.gz	ZBXPDNRCFYVNHY-LBPRGKRZSA-N	-1	3	327.388	0.503	50	0		ECAAHM
O=C(CN1CCOCC1)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000054772379	436557867	/nfs/dbraw/zinc/55/78/67/436557867.db2.gz	WDOVVUSOFFVDAP-UHFFFAOYSA-N	-1	3	333.388	0.009	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCCC[C@@H]1C(=O)N1CCCC1)[n-]c2=O	ZINC000065412518	436659332	/nfs/dbraw/zinc/65/93/32/436659332.db2.gz	YHPRWZBXZIZJGC-CYBMUJFWSA-N	-1	3	344.419	0.634	50	0		ECAAHM
CO[C@@H](C(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1)c1ccccc1	ZINC000219660842	436697334	/nfs/dbraw/zinc/69/73/34/436697334.db2.gz	WDHIEZDTWCGEQX-OAHLLOKOSA-N	-1	3	343.387	0.388	50	0		ECAAHM
COC[C@@H]1[C@@H](NC(=O)c2cc(C(C)(C)C)nc(=O)[n-]2)[C@@H]2CCO[C@H]12	ZINC000220343259	436699247	/nfs/dbraw/zinc/69/92/47/436699247.db2.gz	FFBOQINZYBSFIX-DJBIQUGXSA-N	-1	3	335.404	0.847	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)Cn2c3ccccc3oc2=O)n1	ZINC000220747089	436700658	/nfs/dbraw/zinc/70/06/58/436700658.db2.gz	PVPRYIGANICMKS-UHFFFAOYSA-N	-1	3	343.343	0.215	50	0		ECAAHM
CN(C)[C@@H](Cc1ccccc1)C(=O)NCCc1nc(N)cc(=O)[n-]1	ZINC000223654063	436706764	/nfs/dbraw/zinc/70/67/64/436706764.db2.gz	KTCGPWCMAPNXGA-ZDUSSCGKSA-N	-1	3	329.404	0.596	50	0		ECAAHM
O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@H](n2c([O-])coc2=O)C1	ZINC000225700200	436713088	/nfs/dbraw/zinc/71/30/88/436713088.db2.gz	ZMCGBSYGGRLICH-SNVBAGLBSA-N	-1	3	345.311	0.174	50	0		ECAAHM
O=S(=O)([N-]C[C@@H]1CCCO1)[C@H]1CS(=O)(=O)c2ccccc21	ZINC000065605888	436668909	/nfs/dbraw/zinc/66/89/09/436668909.db2.gz	WDBOQOLFEOGADE-GWCFXTLKSA-N	-1	3	331.415	0.613	50	0		ECAAHM
Nc1nc(N2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)cc(=O)[n-]1	ZINC000426501928	438062111	/nfs/dbraw/zinc/06/21/11/438062111.db2.gz	UMMDMNPWOZVJPJ-AWEZNQCLSA-N	-1	3	339.399	1.143	50	0		ECAAHM
CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)C(OC)OC	ZINC000408521348	438581739	/nfs/dbraw/zinc/58/17/39/438581739.db2.gz	PYPKMJNTCRJOQH-SNVBAGLBSA-N	-1	3	331.394	0.117	50	0		ECAAHM
NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl	ZINC000408522141	438582566	/nfs/dbraw/zinc/58/25/66/438582566.db2.gz	DSWJJPDUKLMHKN-VIFPVBQESA-N	-1	3	347.824	0.833	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCCC[C@@H]1Cn1cncn1	ZINC000588080488	438817354	/nfs/dbraw/zinc/81/73/54/438817354.db2.gz	XXKFEHQKGILZRQ-CQSZACIVSA-N	-1	3	331.424	0.800	50	0		ECAAHM
COC[C@@H](NC(=O)N1Cc2nc(C)[n-]c(=O)c2C1)c1ccnn1C	ZINC000534586764	439529999	/nfs/dbraw/zinc/52/99/99/439529999.db2.gz	WURPWWBOMNELGK-GFCCVEGCSA-N	-1	3	332.364	0.637	50	0		ECAAHM
CCn1cc(CN(C)C(=O)c2cc(-n3cnnn3)ccc2[O-])cn1	ZINC000584886867	439624419	/nfs/dbraw/zinc/62/44/19/439624419.db2.gz	VMTOMNIRFSPFTA-UHFFFAOYSA-N	-1	3	327.348	0.857	50	0		ECAAHM
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[C@H]1NC(=O)[N-]C1=O	ZINC000097597390	545732826	/nfs/dbraw/zinc/73/28/26/545732826.db2.gz	PSPUFDVZSSLOEK-CQSZACIVSA-N	-1	3	341.371	0.703	50	0		ECAAHM
COC[C@@H]1[C@@H]([N-]S(=O)(=O)c2cc(C(N)=O)cs2)[C@@H]2CCO[C@H]12	ZINC000222528201	545923034	/nfs/dbraw/zinc/92/30/34/545923034.db2.gz	NBTFBHQHDJHYNB-QCMRWSPLSA-N	-1	3	346.430	0.175	50	0		ECAAHM
COc1cc(F)c(S(=O)(=O)[N-][C@H]2C(=O)NCC2(C)C)cc1OC	ZINC000585094271	546287639	/nfs/dbraw/zinc/28/76/39/546287639.db2.gz	ZCJOPMNTXNAWQT-LBPRGKRZSA-N	-1	3	346.380	0.646	50	0		ECAAHM
CCc1nc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)cn1CC1CC1	ZINC000585094217	546287680	/nfs/dbraw/zinc/28/76/80/546287680.db2.gz	REQNTUREIFRUOH-CQSZACIVSA-N	-1	3	329.422	0.285	50	0		ECAAHM
C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1nnnn1C1CC1	ZINC000190288093	608853703	/nfs/dbraw/zinc/85/37/03/608853703.db2.gz	POMITCJHSRMNKI-MRVPVSSYSA-N	-1	3	325.332	0.736	50	0		ECAAHM
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nc[nH]n2)c1	ZINC000023143356	202098574	/nfs/dbraw/zinc/09/85/74/202098574.db2.gz	ZYUNRQDVHSVKEE-UHFFFAOYSA-N	-1	3	329.769	0.961	50	0		ECAAHM
CC(=O)NCc1cc(=O)[n-]c([C@H]2CN(Cc3ccccc3)CCO2)n1	ZINC000023311377	202102231	/nfs/dbraw/zinc/10/22/31/202102231.db2.gz	BEDXHWPLRYOVLG-MRXNPFEDSA-N	-1	3	342.399	0.980	50	0		ECAAHM
O=C([O-])CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1	ZINC000091518893	304067357	/nfs/dbraw/zinc/06/73/57/304067357.db2.gz	RDOYANVVYZGADU-UHFFFAOYSA-N	-1	3	332.404	0.970	50	0		ECAAHM
C[C@H](OC(=O)CC[C@H]1NC(=O)[N-]C1=O)C(=O)Nc1ccc(F)cc1	ZINC000032515504	202226830	/nfs/dbraw/zinc/22/68/30/202226830.db2.gz	VSWJWVKHKNRECB-GZMMTYOYSA-N	-1	3	337.307	0.684	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)o1	ZINC000069484944	202283959	/nfs/dbraw/zinc/28/39/59/202283959.db2.gz	HPJKYWIAXQMVLG-VXGBXAGGSA-N	-1	3	341.433	0.887	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)NCc1nc(-c2ccccc2Cl)no1	ZINC000216410886	241188918	/nfs/dbraw/zinc/18/89/18/241188918.db2.gz	VWIYUXDJJIBLBY-SECBINFHSA-N	-1	3	349.734	0.604	50	0		ECAAHM
O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1cnc[n-]c1=O	ZINC000219197141	241369195	/nfs/dbraw/zinc/36/91/95/241369195.db2.gz	SQUUXVQPKNJVQU-CABCVRRESA-N	-1	3	329.356	0.874	50	0		ECAAHM
Cc1cccc(=O)n1CCC(=O)N[C@H]1C[C@@H](c2cc(=O)[n-]c(N)n2)C1	ZINC000253535259	244010982	/nfs/dbraw/zinc/01/09/82/244010982.db2.gz	MLSJPWIGBCOEBX-TXEJJXNPSA-N	-1	3	343.387	0.687	50	0		ECAAHM
CC[C@H](C(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1)n1cccn1	ZINC000253536588	244011370	/nfs/dbraw/zinc/01/13/70/244011370.db2.gz	IMSBUYHDGMOVJC-LLVKDONJSA-N	-1	3	331.380	0.261	50	0		ECAAHM
CN1CCN(C(=O)[C@H]2C[C@H](C(=O)[O-])CN(Cc3cccnc3)C2)CC1	ZINC000071405856	203095243	/nfs/dbraw/zinc/09/52/43/203095243.db2.gz	RXAVXZJXRBOUPD-HOTGVXAUSA-N	-1	3	346.431	0.378	50	0		ECAAHM
CO[C@]12CCN(Cc3cnc(NCC(=O)[O-])nc3)[C@H]1C[C@H](O)CC2	ZINC000299778694	258088287	/nfs/dbraw/zinc/08/82/87/258088287.db2.gz	QKJZSXOYDRMYJE-DVOMOZLQSA-N	-1	3	336.392	0.477	50	0		ECAAHM
Cc1cc(C)cc(N2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2=O)c1	ZINC000067688350	132812076	/nfs/dbraw/zinc/81/20/76/132812076.db2.gz	MXTRRSGNXJPXIA-ZDUSSCGKSA-N	-1	3	344.371	0.077	50	0		ECAAHM
CN1CCN(C[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)[O-])CC1	ZINC000072403868	290044637	/nfs/dbraw/zinc/04/46/37/290044637.db2.gz	WOWOWSNZXGRNBD-GFCCVEGCSA-N	-1	3	349.387	0.692	50	0		ECAAHM
NC(=O)c1ccsc1NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O	ZINC000005267873	435986299	/nfs/dbraw/zinc/98/62/99/435986299.db2.gz	SGMJTBNSRHIUBI-UHFFFAOYSA-N	-1	3	344.352	0.489	50	0		ECAAHM
O=C(Cn1nnc(-c2ccccc2)n1)N1NC=C[C@]1([O-])C(F)(F)F	ZINC000006927906	436004909	/nfs/dbraw/zinc/00/49/09/436004909.db2.gz	AKZWMYHOXBEQQG-LBPRGKRZSA-N	-1	3	340.265	0.809	50	0		ECAAHM
CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000008516629	436029262	/nfs/dbraw/zinc/02/92/62/436029262.db2.gz	MQGNWULKZJPTLU-UHFFFAOYSA-N	-1	3	327.225	0.877	50	0		ECAAHM
Cc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2	ZINC000008994291	436033690	/nfs/dbraw/zinc/03/36/90/436033690.db2.gz	SCGGWOATLZJTBV-LLVKDONJSA-N	-1	3	328.328	0.417	50	0		ECAAHM
O=C(NCC[N-]S(=O)(=O)c1cccc2nonc21)c1ccncc1	ZINC000012390327	436051812	/nfs/dbraw/zinc/05/18/12/436051812.db2.gz	CXODILHSEUTBMC-UHFFFAOYSA-N	-1	3	347.356	0.326	50	0		ECAAHM
Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000012798485	436056176	/nfs/dbraw/zinc/05/61/76/436056176.db2.gz	UUZCJROWSNLGOA-NSHDSACASA-N	-1	3	332.360	0.298	50	0		ECAAHM
Cc1ccc(NC(=O)[C@H](C)OC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000012792204	436058015	/nfs/dbraw/zinc/05/80/15/436058015.db2.gz	HNVJPSVHYJQFKP-CMPLNLGQSA-N	-1	3	333.344	0.853	50	0		ECAAHM
Cc1nc(C)c(CC(=O)NC[C@@H]2COc3ccccc3O2)c(=O)[n-]1	ZINC000031214089	436224756	/nfs/dbraw/zinc/22/47/56/436224756.db2.gz	POZYOVGDWNRVGR-GFCCVEGCSA-N	-1	3	329.356	0.885	50	0		ECAAHM
COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCCNC2=O)cc1OC	ZINC000040527154	436267253	/nfs/dbraw/zinc/26/72/53/436267253.db2.gz	YMCTYPDONKRLJM-JTQLQIEISA-N	-1	3	346.380	0.790	50	0		ECAAHM
COCCCNC(=O)CN1CCN(C(=O)c2cc(C)ccc2[O-])CC1	ZINC000044895506	436350625	/nfs/dbraw/zinc/35/06/25/436350625.db2.gz	BZCJLCMOWPXPEQ-UHFFFAOYSA-N	-1	3	349.431	0.611	50	0		ECAAHM
Cc1cc(S(=O)(=O)[N-]C[C@@H]2CN(C)CCN2C)c(F)cc1F	ZINC000084674505	436381893	/nfs/dbraw/zinc/38/18/93/436381893.db2.gz	PXXDCHIZVWXYJM-LLVKDONJSA-N	-1	3	333.404	0.797	50	0		ECAAHM
O=C(NN1CC(=O)[N-]C1=O)c1ccc(I)cc1	ZINC000048448548	436452710	/nfs/dbraw/zinc/45/27/10/436452710.db2.gz	NIWWFSUBOQKSBW-UHFFFAOYSA-N	-1	3	345.096	0.488	50	0		ECAAHM
CC(C)N1CCC[C@]2(CCN(C(=O)Cc3cc(=O)[n-]c(N)n3)C2)C1=O	ZINC000091586962	436455376	/nfs/dbraw/zinc/45/53/76/436455376.db2.gz	IGIYHZPNAOGUIN-QGZVFWFLSA-N	-1	3	347.419	0.144	50	0		ECAAHM
CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cc(C)ccc1F	ZINC000051162441	436485093	/nfs/dbraw/zinc/48/50/93/436485093.db2.gz	VKYSLUGFRAUWFI-UHFFFAOYSA-N	-1	3	338.426	0.742	50	0		ECAAHM
Cc1cc(C)n(-c2ccc(CNC(=O)C[C@H]3NC(=O)[N-]C3=O)cn2)n1	ZINC000097915068	436544448	/nfs/dbraw/zinc/54/44/48/436544448.db2.gz	AHWCUBJATNOJBV-GFCCVEGCSA-N	-1	3	342.359	0.098	50	0		ECAAHM
O=C([O-])c1cnn2cc(CN3CCN(C4CCOCC4)CC3)cnc12	ZINC000097632035	436544694	/nfs/dbraw/zinc/54/46/94/436544694.db2.gz	OFRBNCNNEPTSNV-UHFFFAOYSA-N	-1	3	345.403	0.724	50	0		ECAAHM
C[C@@H](Cn1cccn1)NC(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000057098213	436605515	/nfs/dbraw/zinc/60/55/15/436605515.db2.gz	CNAMZNIOTDOBLZ-JTQLQIEISA-N	-1	3	328.419	0.428	50	0		ECAAHM
Cc1cn(C)c(CC(=O)NCCCN2CCN(C)CC2)c1C(=O)[O-]	ZINC000064980547	302317956	/nfs/dbraw/zinc/31/79/56/302317956.db2.gz	KNBAGSRFYOKNLE-UHFFFAOYSA-N	-1	3	336.436	0.328	50	0		ECAAHM
Nc1cc(=O)[n-]c(CCNC(=O)CN2CCOc3ccccc3C2)n1	ZINC000220058904	436697571	/nfs/dbraw/zinc/69/75/71/436697571.db2.gz	IHHTUEIBFMAMJV-UHFFFAOYSA-N	-1	3	343.387	0.318	50	0		ECAAHM
Cc1csc(NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)n1	ZINC000065626380	436670898	/nfs/dbraw/zinc/67/08/98/436670898.db2.gz	KMURSDGPZFYJNX-UHFFFAOYSA-N	-1	3	343.434	0.801	50	0		ECAAHM
COc1ccc(S(=O)(=O)N2CC(n3c([O-])coc3=O)C2)cc1F	ZINC000240067698	436758106	/nfs/dbraw/zinc/75/81/06/436758106.db2.gz	RZDUFWSMVFKEGP-UHFFFAOYSA-N	-1	3	344.320	0.186	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCC[C@H](Cn2cncn2)C1	ZINC000255560858	436853885	/nfs/dbraw/zinc/85/38/85/436853885.db2.gz	MLEIRDDCXNXHAA-AWEZNQCLSA-N	-1	3	331.424	0.657	50	0		ECAAHM
CN(C)C(=O)Cn1cc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)nn1	ZINC000157196684	436825414	/nfs/dbraw/zinc/82/54/14/436825414.db2.gz	JJSICVJYTNNFJG-UHFFFAOYSA-N	-1	3	348.754	0.315	50	0		ECAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCCCCO1	ZINC000329967699	437440356	/nfs/dbraw/zinc/44/03/56/437440356.db2.gz	SPTNDQWMMMQNDG-UHFFFAOYSA-N	-1	3	332.154	0.656	50	0		ECAAHM
COC[C@@H]1CCCN1C(=O)NCCn1[n-]c(=O)c2ccccc2c1=O	ZINC000426518166	438062885	/nfs/dbraw/zinc/06/28/85/438062885.db2.gz	BRFZEIDXVADTBO-LBPRGKRZSA-N	-1	3	346.387	0.923	50	0		ECAAHM
CCc1nnc2n1CCN(CC(=O)N=c1cc[n-]n1[C@H](C)C1CC1)C2	ZINC000588079082	438816601	/nfs/dbraw/zinc/81/66/01/438816601.db2.gz	GXXUEVMJSVIDRG-GFCCVEGCSA-N	-1	3	343.435	0.884	50	0		ECAAHM
Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](CO)Cc1cnn(C)c1	ZINC000583651443	439495854	/nfs/dbraw/zinc/49/58/54/439495854.db2.gz	LVIXREZTXZTLIN-ZDUSSCGKSA-N	-1	3	341.408	0.997	50	0		ECAAHM
CC1CCN(S(=O)(=O)[N-]Cc2noc([C@@H]3CCCO3)n2)CC1	ZINC000534577711	439529730	/nfs/dbraw/zinc/52/97/30/439529730.db2.gz	SKMZNYRAWSNBHJ-NSHDSACASA-N	-1	3	330.410	0.987	50	0		ECAAHM
Cc1n[nH]c(C)c1[C@@H](N)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1	ZINC000222423780	545921907	/nfs/dbraw/zinc/92/19/07/545921907.db2.gz	VLTZEGNBWCGWEQ-CQSZACIVSA-N	-1	3	340.391	0.865	50	0		ECAAHM
Cc1n[nH]c(C)c1[C@@H](N)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1	ZINC000222423780	545921914	/nfs/dbraw/zinc/92/19/14/545921914.db2.gz	VLTZEGNBWCGWEQ-CQSZACIVSA-N	-1	3	340.391	0.865	50	0		ECAAHM
CN(C)c1nc(CNC(=O)c2cc(-n3cnnn3)ccc2[O-])cs1	ZINC000222415551	545922436	/nfs/dbraw/zinc/92/24/36/545922436.db2.gz	WESFZLJMAGIWNQ-UHFFFAOYSA-N	-1	3	345.388	0.820	50	0		ECAAHM
COCCN(Cc1cccnc1)C(=O)NCCc1nc(N)cc(=O)[n-]1	ZINC000426549213	753164817	/nfs/dbraw/zinc/16/48/17/753164817.db2.gz	TXDRZBLNQXHICY-UHFFFAOYSA-N	-1	3	346.391	0.560	50	0		ECAAHM
Cc1csc([C@H]2CN(Cc3nc4c(cnn4C)c(=O)[n-]3)CCO2)n1	ZINC000065512298	201156361	/nfs/dbraw/zinc/15/63/61/201156361.db2.gz	UWUBJLPITBWGOY-LLVKDONJSA-N	-1	3	346.416	0.995	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)OCc1nc(-c2ccc(F)cc2)no1	ZINC000025384830	212477344	/nfs/dbraw/zinc/47/73/44/212477344.db2.gz	JULYLGGLQQGYPQ-SNVBAGLBSA-N	-1	3	348.290	0.907	50	0		ECAAHM
COc1ccc(C2=CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)cc1	ZINC000049279119	202620525	/nfs/dbraw/zinc/62/05/25/202620525.db2.gz	IHJGGHTZIQHNHV-AWEZNQCLSA-N	-1	3	329.356	0.909	50	0		ECAAHM
CNC(=O)c1[nH]nc2c1CN(Cc1ccc(-c3nnn[n-]3)cc1)CC2	ZINC000215769914	241142942	/nfs/dbraw/zinc/14/29/42/241142942.db2.gz	JRRWGPCUARKKMF-UHFFFAOYSA-N	-1	3	338.375	0.508	50	0		ECAAHM
CNC(=O)c1[nH]nc2c1CN(Cc1ccc(-c3nn[n-]n3)cc1)CC2	ZINC000215769914	241142952	/nfs/dbraw/zinc/14/29/52/241142952.db2.gz	JRRWGPCUARKKMF-UHFFFAOYSA-N	-1	3	338.375	0.508	50	0		ECAAHM
Cc1nccn1-c1ccc(CNC(=O)C[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000216224926	241175330	/nfs/dbraw/zinc/17/53/30/241175330.db2.gz	FSWDNEAHWHLPLP-CYBMUJFWSA-N	-1	3	327.344	0.395	50	0		ECAAHM
Cc1ncc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)c(=O)[n-]1	ZINC000215514283	241127756	/nfs/dbraw/zinc/12/77/56/241127756.db2.gz	GRVIOCIHHPYLPC-GFCCVEGCSA-N	-1	3	328.376	0.515	50	0		ECAAHM
Cn1cc(C(=O)NC[C@H]2CCCN(c3ccccn3)C2)c(=O)[n-]c1=O	ZINC000218864235	241348731	/nfs/dbraw/zinc/34/87/31/241348731.db2.gz	ZXNFUZNMIULOOH-GFCCVEGCSA-N	-1	3	343.387	0.115	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[C@H](C)C2)cn1C	ZINC000071853336	203128646	/nfs/dbraw/zinc/12/86/46/203128646.db2.gz	FVDQWZVQJAAWDY-CMPLNLGQSA-N	-1	3	328.438	0.702	50	0		ECAAHM
Cc1ncc(CC(=O)N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[n-]1	ZINC000072412435	203217170	/nfs/dbraw/zinc/21/71/70/203217170.db2.gz	CQCACANNJIGDKH-BETUJISGSA-N	-1	3	348.447	0.721	50	0		ECAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)N1	ZINC000044894061	204309057	/nfs/dbraw/zinc/30/90/57/204309057.db2.gz	ZOSNDFINKDMDLD-UHFFFAOYSA-N	-1	3	349.412	0.538	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)N1CCCOCC1)CNCC2	ZINC000067559855	304218225	/nfs/dbraw/zinc/21/82/25/304218225.db2.gz	UBCAUAWNPFERDV-UHFFFAOYSA-N	-1	3	346.430	0.503	50	0		ECAAHM
CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1=O	ZINC000299749657	285285144	/nfs/dbraw/zinc/28/51/44/285285144.db2.gz	LEYWQPZXSKCWGA-VNHYZAJKSA-N	-1	3	339.436	0.545	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC(Oc2ccncc2)CC1	ZINC000299784478	258092109	/nfs/dbraw/zinc/09/21/09/258092109.db2.gz	MAFVZHUOKVAASX-ZDUSSCGKSA-N	-1	3	332.360	0.440	50	0		ECAAHM
CC(C)c1ncc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)c(=O)[n-]1	ZINC000067672950	278079009	/nfs/dbraw/zinc/07/90/09/278079009.db2.gz	UYTAZCVEGAKIEC-UHFFFAOYSA-N	-1	3	347.463	0.745	50	0		ECAAHM
C[C@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)NC(C)(C)C	ZINC000007064207	436007815	/nfs/dbraw/zinc/00/78/15/436007815.db2.gz	NEKNTRAHINKVRF-JTQLQIEISA-N	-1	3	347.371	0.536	50	0		ECAAHM
O=C(COC(=O)CN1CCCCCC1=O)[N-]C(=O)c1cccs1	ZINC000007090651	436008742	/nfs/dbraw/zinc/00/87/42/436008742.db2.gz	OEQQEXAIFKEOGT-UHFFFAOYSA-N	-1	3	338.385	0.950	50	0		ECAAHM
CC(C)(C)c1nc(CC(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)cs1	ZINC000072290715	436043002	/nfs/dbraw/zinc/04/30/02/436043002.db2.gz	LEAUYPIRAZLTLM-OAHLLOKOSA-N	-1	3	336.417	0.794	50	0		ECAAHM
Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)cc1F	ZINC000032417196	436239165	/nfs/dbraw/zinc/23/91/65/436239165.db2.gz	TZQPXOZXUAXCPA-UHFFFAOYSA-N	-1	3	341.364	0.497	50	0		ECAAHM
Cc1cc([N-]C(=O)[C@H](C)N2CCO[C@H](CNc3cccnn3)C2)on1	ZINC000076049817	436189023	/nfs/dbraw/zinc/18/90/23/436189023.db2.gz	RHBBLNFRYFUWAO-QWHCGFSZSA-N	-1	3	346.391	0.913	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)[N-]C1=NCCS1	ZINC000036705899	436258830	/nfs/dbraw/zinc/25/88/30/436258830.db2.gz	DOTBAHXNUXBYTA-NSHDSACASA-N	-1	3	332.385	0.736	50	0		ECAAHM
Cc1ncc(CC(=O)N2CCN(c3ccccc3)C(=O)C2)c(=O)[n-]1	ZINC000082126767	436362227	/nfs/dbraw/zinc/36/22/27/436362227.db2.gz	VMHXQIMNLFFHQZ-UHFFFAOYSA-N	-1	3	326.356	0.496	50	0		ECAAHM
COCCN1C[C@@H]2CN(c3nc(CO)cs3)C[C@]2(C(=O)[O-])C1	ZINC000091304709	436449095	/nfs/dbraw/zinc/44/90/95/436449095.db2.gz	STTDRBLZNOZULI-QMTHXVAHSA-N	-1	3	327.406	0.105	50	0		ECAAHM
Cc1ncc(C(=O)NCCc2csc(-c3ncccn3)n2)c(=O)[n-]1	ZINC000091462687	436451056	/nfs/dbraw/zinc/45/10/56/436451056.db2.gz	TXIZDTNTTXRUQQ-UHFFFAOYSA-N	-1	3	342.384	0.964	50	0		ECAAHM
Cc1cc(=O)[n-]c(CCNC(=O)c2cc(-c3cccn3C)n[nH]2)n1	ZINC000091526127	436452516	/nfs/dbraw/zinc/45/25/16/436452516.db2.gz	CXAVPBVOMZKISA-UHFFFAOYSA-N	-1	3	326.360	0.779	50	0		ECAAHM
O=C(NC[C@H](O)c1ccccn1)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000091593185	436455683	/nfs/dbraw/zinc/45/56/83/436455683.db2.gz	MLTLGJHMMCIIOK-AWEZNQCLSA-N	-1	3	340.339	0.601	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCc1noc(-c2ccccc2)n1	ZINC000091694131	436455982	/nfs/dbraw/zinc/45/59/82/436455982.db2.gz	CCMYGDWDICLOLR-NSHDSACASA-N	-1	3	343.343	0.384	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC(O)(Cc2ccccc2)CC1	ZINC000091664236	436457544	/nfs/dbraw/zinc/45/75/44/436457544.db2.gz	LNQWFSMNFDJUNI-AWEZNQCLSA-N	-1	3	345.399	0.571	50	0		ECAAHM
CN(Cc1nc(-c2ccncc2)no1)C(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000091807302	436461060	/nfs/dbraw/zinc/46/10/60/436461060.db2.gz	KHDKPQFUDBXJNR-SNVBAGLBSA-N	-1	3	344.331	0.078	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1noc(-c2ccccc2)n1	ZINC000091931743	436464079	/nfs/dbraw/zinc/46/40/79/436464079.db2.gz	FNEJVVNBMUPQPS-SNVBAGLBSA-N	-1	3	329.316	0.341	50	0		ECAAHM
Cc1csc(=O)n1CCC(=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000047342879	436417123	/nfs/dbraw/zinc/41/71/23/436417123.db2.gz	YTTAZENEKPSJJM-UHFFFAOYSA-N	-1	3	330.373	0.849	50	0		ECAAHM
Cn1ccnc1-c1cc(NC(=O)Cn2nc3ccccn3c2=O)n[n-]1	ZINC000095996085	436503871	/nfs/dbraw/zinc/50/38/71/436503871.db2.gz	ACMCNGPIWBUCGK-UHFFFAOYSA-N	-1	3	338.331	0.258	50	0		ECAAHM
Cn1ccnc1-c1cc(NC(=O)Cn2nc3ccccn3c2=O)[n-]n1	ZINC000095996085	436503875	/nfs/dbraw/zinc/50/38/75/436503875.db2.gz	ACMCNGPIWBUCGK-UHFFFAOYSA-N	-1	3	338.331	0.258	50	0		ECAAHM
COC(=O)c1ccc(S(=O)(=O)[N-]Cc2nncn2C)c(Cl)c1	ZINC000058266061	436622433	/nfs/dbraw/zinc/62/24/33/436622433.db2.gz	BRBLQLAZZNHEPK-UHFFFAOYSA-N	-1	3	344.780	0.734	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCNC(=O)Cc1ccccc1	ZINC000058265775	436622690	/nfs/dbraw/zinc/62/26/90/436622690.db2.gz	VUMCZBPCTODHPJ-UHFFFAOYSA-N	-1	3	337.401	0.929	50	0		ECAAHM
Nc1nc(N2CCN(Cc3cccc4nsnc43)CC2)cc(=O)[n-]1	ZINC000065382380	436655875	/nfs/dbraw/zinc/65/58/75/436655875.db2.gz	TZEJOOHFXKOSKS-UHFFFAOYSA-N	-1	3	343.416	0.679	50	0		ECAAHM
COC[C@@H](NC(=O)c1cc(CC(C)C)nc(=O)[n-]1)c1ccnn1C	ZINC000223745160	436708249	/nfs/dbraw/zinc/70/82/49/436708249.db2.gz	IDZWPBPTJXAKTC-CYBMUJFWSA-N	-1	3	333.392	0.819	50	0		ECAAHM
C[C@@H](C[N-]S(=O)(=O)c1ccco1)N(C)S(=O)(=O)c1ccco1	ZINC000252496358	436833361	/nfs/dbraw/zinc/83/33/61/436833361.db2.gz	PHNOJOAQUSDYPO-JTQLQIEISA-N	-1	3	348.402	0.860	50	0		ECAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CCN(c2ccc(C3CC3)nn2)CC1	ZINC000575608437	438750782	/nfs/dbraw/zinc/75/07/82/438750782.db2.gz	NLJCPFRLSCZTND-UHFFFAOYSA-N	-1	3	342.359	0.518	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]Cc2nccnc2-c2cnn(C)c2)c1	ZINC000575619119	438751838	/nfs/dbraw/zinc/75/18/38/438751838.db2.gz	GZHAJXYKHFENBM-UHFFFAOYSA-N	-1	3	333.377	0.089	50	0		ECAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)N1	ZINC000040511340	213327786	/nfs/dbraw/zinc/32/77/86/213327786.db2.gz	HYKBECBXYXDRET-IZZDOVSWSA-N	-1	3	335.385	0.661	50	0		ECAAHM
O=c1ccc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3CCCO3)s2)n[nH]1	ZINC000021531497	202066220	/nfs/dbraw/zinc/06/62/20/202066220.db2.gz	GELKEVNXJBCKSX-VIFPVBQESA-N	-1	3	341.414	0.956	50	0		ECAAHM
NC(=O)[C@H]1CC(C(=O)Nc2ncccc2[O-])=NN1c1ccc(F)cc1	ZINC000096435761	283346113	/nfs/dbraw/zinc/34/61/13/283346113.db2.gz	XTHOGIFFOYTKGZ-GFCCVEGCSA-N	-1	3	343.318	0.985	50	0		ECAAHM
CC(=O)N1CCC(C(=O)N2CCC(n3c([O-])coc3=O)CC2)CC1	ZINC000239593156	201152298	/nfs/dbraw/zinc/15/22/98/201152298.db2.gz	DRSOOXRQIZCEEV-UHFFFAOYSA-N	-1	3	337.376	0.215	50	0		ECAAHM
CN(C)CCN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1=O	ZINC000269077373	201230421	/nfs/dbraw/zinc/23/04/21/201230421.db2.gz	ABPPBRCDXUXRHZ-CABCVRRESA-N	-1	3	347.415	0.209	50	0		ECAAHM
O=S(=O)([N-]Cc1ccnc(N2CCOCC2)n1)c1cccs1	ZINC000211102560	241078774	/nfs/dbraw/zinc/07/87/74/241078774.db2.gz	GIKORWJNOXXLFB-UHFFFAOYSA-N	-1	3	340.430	0.853	50	0		ECAAHM
COC(=O)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000069453095	203003656	/nfs/dbraw/zinc/00/36/56/203003656.db2.gz	PSNLDBFAPYAWEO-UHFFFAOYSA-N	-1	3	340.810	0.359	50	0		ECAAHM
COc1ccc(C[C@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000071821339	203119375	/nfs/dbraw/zinc/11/93/75/203119375.db2.gz	UENVEISCRODITQ-OCCSQVGLSA-N	-1	3	331.372	0.827	50	0		ECAAHM
CCc1nc(C)c(CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c(=O)[n-]1	ZINC000077505454	203392566	/nfs/dbraw/zinc/39/25/66/203392566.db2.gz	YGYVMHZQKOWALG-LLVKDONJSA-N	-1	3	341.433	0.219	50	0		ECAAHM
CCn1nccc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C)nc1	ZINC000328598600	258040978	/nfs/dbraw/zinc/04/09/78/258040978.db2.gz	NMBAZBZMTUHAHK-UHFFFAOYSA-N	-1	3	337.405	0.478	50	0		ECAAHM
CN1CCN2c3ccccc3C[C@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@H]2C1	ZINC000245328686	258000285	/nfs/dbraw/zinc/00/02/85/258000285.db2.gz	WJMNLNOOSIATJT-CXAGYDPISA-N	-1	3	328.372	0.058	50	0		ECAAHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCn3nccc3C2)s1	ZINC000245015134	258000583	/nfs/dbraw/zinc/00/05/83/258000583.db2.gz	LNLDQTZGDZZJNT-SECBINFHSA-N	-1	3	341.418	0.591	50	0		ECAAHM
CN1C[C@H](NC(=O)c2cc3ccccc3n(C)c2=O)C[C@H]1C(=O)[O-]	ZINC000299788607	258095244	/nfs/dbraw/zinc/09/52/44/258095244.db2.gz	YKDSIIMFCRNUQQ-RISCZKNCSA-N	-1	3	329.356	0.426	50	0		ECAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(C(C)=O)C2=O	ZINC000000122873	278086717	/nfs/dbraw/zinc/08/67/17/278086717.db2.gz	BMSLBMAGYOPAKG-OAHLLOKOSA-N	-1	3	346.368	0.735	50	0		ECAAHM
C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000225719098	278199992	/nfs/dbraw/zinc/19/99/92/278199992.db2.gz	OKLNHDXPNQUROG-LKQDWFRTSA-N	-1	3	336.436	0.553	50	0		ECAAHM
CN(C)CCN1C[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1=O	ZINC000269104862	289156967	/nfs/dbraw/zinc/15/69/67/289156967.db2.gz	BYRGKZLUUSQKEH-ZFWWWQNUSA-N	-1	3	333.388	0.339	50	0		ECAAHM
CC(NCCN(C)C)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000000529587	435955460	/nfs/dbraw/zinc/95/54/60/435955460.db2.gz	STWBTGOQWJZCAS-WYMLVPIESA-N	-1	3	330.388	0.690	50	0		ECAAHM
COC(=O)Cc1cc(=O)[n-]c(N2CCN(Cc3ccccc3)CC2)n1	ZINC000013570278	436063094	/nfs/dbraw/zinc/06/30/94/436063094.db2.gz	FAMQLIYHZUHIAT-UHFFFAOYSA-N	-1	3	342.399	0.808	50	0		ECAAHM
Cc1nc(C)c(CCC(=O)Nc2ccc(-n3cnnn3)cc2)c(=O)[n-]1	ZINC000016467543	436092048	/nfs/dbraw/zinc/09/20/48/436092048.db2.gz	PQUHERHPEPDEKL-UHFFFAOYSA-N	-1	3	339.359	0.934	50	0		ECAAHM
Cc1ccc(F)c(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)c1	ZINC000032417186	436239833	/nfs/dbraw/zinc/23/98/33/436239833.db2.gz	NIENDBYMABZVBT-UHFFFAOYSA-N	-1	3	341.364	0.497	50	0		ECAAHM
CC(C)n1cc(CN2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)[O-])C2)cn1	ZINC000091738497	436458235	/nfs/dbraw/zinc/45/82/35/436458235.db2.gz	JTQZTEMHSYBYLH-YOEHRIQHSA-N	-1	3	349.435	0.964	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1ccc(OC(F)(F)F)cc1	ZINC000049131172	436464970	/nfs/dbraw/zinc/46/49/70/436464970.db2.gz	NRNKVQWVVCXKDY-JTQLQIEISA-N	-1	3	345.277	0.842	50	0		ECAAHM
Cc1cnc(CN2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)[O-])C2)cn1	ZINC000096131730	436516277	/nfs/dbraw/zinc/51/62/77/436516277.db2.gz	JOSSNSVYNPBBBX-KSSFIOAISA-N	-1	3	344.415	0.930	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@@H]2COc3ccccc3C2)n1	ZINC000095528110	436499496	/nfs/dbraw/zinc/49/94/96/436499496.db2.gz	WNXJQYPGZOAXKW-ZDUSSCGKSA-N	-1	3	328.372	0.858	50	0		ECAAHM
O=C(NCCNC(=O)C1(N2CCOCC2)CCC1)c1ccccc1[O-]	ZINC000095992997	436502662	/nfs/dbraw/zinc/50/26/62/436502662.db2.gz	LGZWDFUPXUBHRR-UHFFFAOYSA-N	-1	3	347.415	0.493	50	0		ECAAHM
O=C(NCCCN1CCCC1=O)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000097776088	436544908	/nfs/dbraw/zinc/54/49/08/436544908.db2.gz	LFQCXWONVXBAGD-UHFFFAOYSA-N	-1	3	344.371	0.485	50	0		ECAAHM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C)C2)c(Cl)c1	ZINC000058267290	436622156	/nfs/dbraw/zinc/62/21/56/436622156.db2.gz	VPINUFRWKLAPKD-SECBINFHSA-N	-1	3	346.792	0.636	50	0		ECAAHM
COc1ccc2c(c1)[n-]cc(C(=O)NCCCN1CCOCC1)c2=O	ZINC000058489893	436626487	/nfs/dbraw/zinc/62/64/87/436626487.db2.gz	WWMUUHGNZVBNKI-UHFFFAOYSA-N	-1	3	345.399	0.989	50	0		ECAAHM
COc1c(C)cnc(CN(C)C(=O)CC[C@H]2NC(=O)[N-]C2=O)c1C	ZINC000058957418	436630881	/nfs/dbraw/zinc/63/08/81/436630881.db2.gz	GNHRXEURMMRHLC-LLVKDONJSA-N	-1	3	334.376	0.654	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)Cn2ncc3ccccc32)n1	ZINC000220140332	436699498	/nfs/dbraw/zinc/69/94/98/436699498.db2.gz	SLCQQRSAOKCWFX-UHFFFAOYSA-N	-1	3	326.360	0.656	50	0		ECAAHM
O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cnc[n-]c1=O	ZINC000223424243	436706815	/nfs/dbraw/zinc/70/68/15/436706815.db2.gz	NECJKXQLPJSPON-HUUCEWRRSA-N	-1	3	329.356	0.874	50	0		ECAAHM
CN(Cc1ccco1)C(=O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000065501570	436664888	/nfs/dbraw/zinc/66/48/88/436664888.db2.gz	LYVRMXPLXDWFNN-UHFFFAOYSA-N	-1	3	342.307	0.979	50	0		ECAAHM
Cc1ccc(C2(O)CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2)nc1	ZINC000067881813	436727584	/nfs/dbraw/zinc/72/75/84/436727584.db2.gz	UPDBEXAUQASVBY-GFCCVEGCSA-N	-1	3	346.387	0.188	50	0		ECAAHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@@H](Cn3nc(C)nc3C)C2)on1	ZINC000229500329	436715592	/nfs/dbraw/zinc/71/55/92/436715592.db2.gz	DWPKWFQNYJCNER-BXUZGUMPSA-N	-1	3	348.407	0.919	50	0		ECAAHM
CCCNC(=O)NC(=O)CN1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000266887262	437262216	/nfs/dbraw/zinc/26/22/16/437262216.db2.gz	BSOBFLKPCFBKFX-UHFFFAOYSA-N	-1	3	348.403	0.386	50	0		ECAAHM
C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCC[C@@H]1Cn1cncn1	ZINC000588079238	438815375	/nfs/dbraw/zinc/81/53/75/438815375.db2.gz	JVJKOSUHQNTFAO-DZGCQCFKSA-N	-1	3	343.435	0.971	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCCC[C@H]1Cn1cncn1	ZINC000588080487	438817507	/nfs/dbraw/zinc/81/75/07/438817507.db2.gz	XXKFEHQKGILZRQ-AWEZNQCLSA-N	-1	3	331.424	0.800	50	0		ECAAHM
C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)NCCN(C)C	ZINC000583651779	439495209	/nfs/dbraw/zinc/49/52/09/439495209.db2.gz	SHNMQTGYUBUJJY-VIFPVBQESA-N	-1	3	335.376	0.309	50	0		ECAAHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(N)=O	ZINC000534639220	439532462	/nfs/dbraw/zinc/53/24/62/439532462.db2.gz	BVOZJWVLRMPAEJ-RKDXNWHRSA-N	-1	3	332.813	0.480	50	0		ECAAHM
CC[C@@H](C(=O)[O-])N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1	ZINC000191427665	529294688	/nfs/dbraw/zinc/29/46/88/529294688.db2.gz	VJWAZVIPFRCRBI-AWEZNQCLSA-N	-1	3	330.388	0.904	50	0		ECAAHM
CN(C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cn2ccc(=O)c3ccccc32)C1	ZINC000244795518	545935622	/nfs/dbraw/zinc/93/56/22/545935622.db2.gz	RHUWAFWGTYECCB-DOMZBBRYSA-N	-1	3	343.383	0.617	50	0		ECAAHM
CC(C)CCC(=O)N1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000052863832	214152474	/nfs/dbraw/zinc/15/24/74/214152474.db2.gz	YVYKYUKFEUEOAA-UHFFFAOYSA-N	-1	3	346.435	0.737	50	0		ECAAHM
CSCCN1CCN(C(=O)c2ccccc2-c2nnn[n-]2)CC1	ZINC000097675254	219047262	/nfs/dbraw/zinc/04/72/62/219047262.db2.gz	ZMVAESRFTKYZNU-UHFFFAOYSA-N	-1	3	332.433	0.988	50	0		ECAAHM
CSCCN1CCN(C(=O)c2ccccc2-c2nn[n-]n2)CC1	ZINC000097675254	219047264	/nfs/dbraw/zinc/04/72/64/219047264.db2.gz	ZMVAESRFTKYZNU-UHFFFAOYSA-N	-1	3	332.433	0.988	50	0		ECAAHM
O=C(Cn1ncc(=O)c2ccccc21)Nc1nc(-c2ccccn2)n[n-]1	ZINC000053525464	214187782	/nfs/dbraw/zinc/18/77/82/214187782.db2.gz	KLKWOKAFGPHFAD-UHFFFAOYSA-N	-1	3	347.338	0.637	50	0		ECAAHM
O=c1[nH]cc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(=O)[nH]1	ZINC000004270297	210156973	/nfs/dbraw/zinc/15/69/73/210156973.db2.gz	VSGRHXCCOPCLSW-UHFFFAOYSA-N	-1	3	346.162	0.627	50	0		ECAAHM
C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)C[C@H](c2ccccc2)O1	ZINC000067829895	215222822	/nfs/dbraw/zinc/22/28/22/215222822.db2.gz	KWCBECJWPBBYRM-MRVWCRGKSA-N	-1	3	331.372	0.963	50	0		ECAAHM
C[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])C(=O)NC1C(C)(C)SC1(C)C	ZINC000002020491	209810475	/nfs/dbraw/zinc/81/04/75/209810475.db2.gz	IVBOUFAWPCPFTQ-SFYZADRCSA-N	-1	3	331.438	0.082	50	0	endogenous,in-man	ECAAHM
O=C(NCCc1cnn(-c2ccccc2)c1)c1cc(=O)[n-]c(=O)[nH]1	ZINC000216410716	241189508	/nfs/dbraw/zinc/18/95/08/241189508.db2.gz	GIHVCACYOMWECR-UHFFFAOYSA-N	-1	3	325.328	0.221	50	0		ECAAHM
COc1cccc2c1OCC(CN1CCN(CC(=O)[O-])C[C@@H](O)C1)=C2	ZINC000217568972	241260988	/nfs/dbraw/zinc/26/09/88/241260988.db2.gz	ZBDNXVMBCBPSTC-HNNXBMFYSA-N	-1	3	348.399	0.534	50	0		ECAAHM
CCCn1c(=O)[n-]c(=O)c2cc(C(=O)OC[C@H]3CCCO3)cnc21	ZINC000078411153	217049686	/nfs/dbraw/zinc/04/96/86/217049686.db2.gz	XVEZOBBVNDWOKX-LLVKDONJSA-N	-1	3	333.344	0.831	50	0		ECAAHM
Nc1ncccc1CN1C[C@H]2CN(C(=O)C3CCC3)C[C@@]2(C(=O)[O-])C1	ZINC000091381295	218000426	/nfs/dbraw/zinc/00/04/26/218000426.db2.gz	SLJPSQYOMXVAQR-KSSFIOAISA-N	-1	3	344.415	0.809	50	0		ECAAHM
Cc1ccnc(N2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2)c1	ZINC000091693579	218049490	/nfs/dbraw/zinc/04/94/90/218049490.db2.gz	NQHJCNOHWPYNCE-LBPRGKRZSA-N	-1	3	331.376	0.027	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC(CCn2cccn2)CC1	ZINC000091998116	218101624	/nfs/dbraw/zinc/10/16/24/218101624.db2.gz	JRDQGLAHTAEKJJ-ZDUSSCGKSA-N	-1	3	333.392	0.500	50	0		ECAAHM
COc1cc(C)c(CN(C)C(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1OC	ZINC000009315603	211066552	/nfs/dbraw/zinc/06/65/52/211066552.db2.gz	AWNXIRNGYJHHPP-LBPRGKRZSA-N	-1	3	349.387	0.959	50	0		ECAAHM
COc1cccc2c1OC[C@H](C(=O)NCCc1nc(N)cc(=O)[n-]1)C2	ZINC000095386547	218318219	/nfs/dbraw/zinc/31/82/19/218318219.db2.gz	SJFZWUXQAXYBKE-LLVKDONJSA-N	-1	3	344.371	0.271	50	0		ECAAHM
O=C1Nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)[C@]1([O-])C(F)(F)F	ZINC000101621531	284925885	/nfs/dbraw/zinc/92/58/85/284925885.db2.gz	ZQDSTXGNSHYNBA-CYBMUJFWSA-N	-1	3	341.245	0.287	50	0		ECAAHM
C[C@H](CCNC(=O)c1cnc(C2CC2)[n-]c1=O)N1CCN(C)CC1	ZINC000097334283	219012817	/nfs/dbraw/zinc/01/28/17/219012817.db2.gz	JLDXISVTAWULFD-GFCCVEGCSA-N	-1	3	333.436	0.403	50	0		ECAAHM
CCOC(=O)C(C)(C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]C)nc1	ZINC000328593354	258043913	/nfs/dbraw/zinc/04/39/13/258043913.db2.gz	AIMKTXMGRVLCRM-UHFFFAOYSA-N	-1	3	343.405	0.403	50	0		ECAAHM
NS(=O)(=O)C[C@H]1CCN(C(=O)c2[n-]c(=O)nc3ccccc32)C1	ZINC000299778019	258087639	/nfs/dbraw/zinc/08/76/39/258087639.db2.gz	CZKBIEPTVIVRMH-VIFPVBQESA-N	-1	3	336.373	0.086	50	0		ECAAHM
COCCc1noc([C@H](C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)n1	ZINC000299785318	258092664	/nfs/dbraw/zinc/09/26/64/258092664.db2.gz	XXIYFPKXPVTEOC-VIFPVBQESA-N	-1	3	335.364	0.791	50	0		ECAAHM
Cc1nc(C[N@@H+]2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)cc(=O)[n-]1	ZINC000299799967	258103704	/nfs/dbraw/zinc/10/37/04/258103704.db2.gz	XAFLMIAGWZZQFT-CMPLNLGQSA-N	-1	3	332.364	0.309	50	0		ECAAHM
Cc1nc(C[N@H+]2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)cc(=O)[n-]1	ZINC000299799967	258103705	/nfs/dbraw/zinc/10/37/05/258103705.db2.gz	XAFLMIAGWZZQFT-CMPLNLGQSA-N	-1	3	332.364	0.309	50	0		ECAAHM
CCNc1ncc(CN2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)cn1	ZINC000299800559	258103815	/nfs/dbraw/zinc/10/38/15/258103815.db2.gz	TUIYXDFOLLRNBH-NWDGAFQWSA-N	-1	3	331.380	0.717	50	0		ECAAHM
Cc1nc(N2CCN(Cc3ccccc3)CC2)[n-]c(=O)c1CCO	ZINC000054672175	132192070	/nfs/dbraw/zinc/19/20/70/132192070.db2.gz	VEJORWHGVAPLRU-UHFFFAOYSA-N	-1	3	328.416	0.935	50	0		ECAAHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)s1	ZINC000283599029	264133003	/nfs/dbraw/zinc/13/30/03/264133003.db2.gz	SXWKXAJWAQOZHI-QMMMGPOBSA-N	-1	3	342.406	0.506	50	0		ECAAHM
CN1CC[C@@H](Nc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1	ZINC000096135764	290147287	/nfs/dbraw/zinc/14/72/87/290147287.db2.gz	BONVXJLBEJLPCF-GFCCVEGCSA-N	-1	3	349.435	0.791	50	0		ECAAHM
CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)N1CCCC1	ZINC000005251668	435987198	/nfs/dbraw/zinc/98/71/98/435987198.db2.gz	APNKLTLEVXOUET-UHFFFAOYSA-N	-1	3	325.390	0.970	50	0		ECAAHM
CC[C@H](C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C(=O)OC	ZINC000069622137	435950419	/nfs/dbraw/zinc/95/04/19/435950419.db2.gz	DLMYCVQHSSMVJS-JOYOIKCWSA-N	-1	3	348.446	0.730	50	0		ECAAHM
CC(C)NC(=O)Nc1ccc([O-])c(C(=O)NCCS(C)(=O)=O)c1	ZINC000071921953	436029848	/nfs/dbraw/zinc/02/98/48/436029848.db2.gz	GOOSBNUPBDTEJR-UHFFFAOYSA-N	-1	3	343.405	0.697	50	0		ECAAHM
Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)n1	ZINC000012967950	436059351	/nfs/dbraw/zinc/05/93/51/436059351.db2.gz	KNNUMDVZIUBVFI-UHFFFAOYSA-N	-1	3	347.400	0.918	50	0		ECAAHM
O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)CN1	ZINC000075158347	436155803	/nfs/dbraw/zinc/15/58/03/436155803.db2.gz	HBJISDXNSHRBIY-RXMQYKEDSA-N	-1	3	325.209	0.677	50	0		ECAAHM
COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C2CC2)C1	ZINC000075161572	436156723	/nfs/dbraw/zinc/15/67/23/436156723.db2.gz	HFNDDSWEJAXJNR-MRVPVSSYSA-N	-1	3	344.414	0.576	50	0		ECAAHM
O=c1[nH]cccc1-c1nnc(C[N-]S(=O)(=O)c2ccccc2)o1	ZINC000032891553	436244963	/nfs/dbraw/zinc/24/49/63/436244963.db2.gz	FVPJKUUUADVKRY-UHFFFAOYSA-N	-1	3	332.341	0.903	50	0		ECAAHM
COc1cccc(-c2nnc(CCC(=O)NCCN(C)C)c(=O)[n-]2)c1	ZINC000034764600	436256482	/nfs/dbraw/zinc/25/64/82/436256482.db2.gz	PXRDLMANROQYSP-UHFFFAOYSA-N	-1	3	345.403	0.863	50	0		ECAAHM
COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)c1	ZINC000042853079	436320913	/nfs/dbraw/zinc/32/09/13/436320913.db2.gz	WVDIOXAXQRGVFI-STQMWFEESA-N	-1	3	347.371	0.965	50	0		ECAAHM
CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2cn(C)c(=O)[n-]c2=O)C1	ZINC000095525085	436499096	/nfs/dbraw/zinc/49/90/96/436499096.db2.gz	LHYCCYHTILEBAW-GFCCVEGCSA-N	-1	3	345.403	0.871	50	0		ECAAHM
COc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c([O-])c1	ZINC000058405681	436625199	/nfs/dbraw/zinc/62/51/99/436625199.db2.gz	PFVHGFJWWHDTSN-HNNXBMFYSA-N	-1	3	347.415	0.955	50	0		ECAAHM
Cc1ccccc1[C@@H](C(=O)NCCc1nc(N)cc(=O)[n-]1)N(C)C	ZINC000065398953	436657429	/nfs/dbraw/zinc/65/74/29/436657429.db2.gz	YTRLIZBHOYEMDF-INIZCTEOSA-N	-1	3	329.404	0.622	50	0		ECAAHM
O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cc(=O)[n-]cn1	ZINC000225525213	436711268	/nfs/dbraw/zinc/71/12/68/436711268.db2.gz	TXEJJYMLWNEKRG-UHFFFAOYSA-N	-1	3	343.368	0.897	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCCCCCC2)cn1C	ZINC000065576158	436667555	/nfs/dbraw/zinc/66/75/55/436667555.db2.gz	MCRZWJBUWUWJRK-UHFFFAOYSA-N	-1	3	328.438	0.800	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)o1	ZINC000069484945	436775711	/nfs/dbraw/zinc/77/57/11/436775711.db2.gz	HPJKYWIAXQMVLG-NEPJUHHUSA-N	-1	3	341.433	0.887	50	0		ECAAHM
COc1ccc(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)c([O-])c1	ZINC000069585478	436781161	/nfs/dbraw/zinc/78/11/61/436781161.db2.gz	MVLIFDPOSATKHY-UHFFFAOYSA-N	-1	3	349.387	0.211	50	0		ECAAHM
CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)N)CC1)C(=O)[O-]	ZINC000248085414	436800773	/nfs/dbraw/zinc/80/07/73/436800773.db2.gz	RRMCYVUOWFVYFQ-NDKCEZKHSA-N	-1	3	341.452	0.872	50	0		ECAAHM
O=C(Cc1n[nH]c(=O)[n-]1)N1CCCN(C2Cc3ccccc3C2)CC1	ZINC000426496663	438061835	/nfs/dbraw/zinc/06/18/35/438061835.db2.gz	IQZVIXMECAPMEX-UHFFFAOYSA-N	-1	3	341.415	0.755	50	0		ECAAHM
Cc1c(C(=O)NCCc2nc(N)cc(=O)[n-]2)cnn1-c1ccccn1	ZINC000426517824	438063298	/nfs/dbraw/zinc/06/32/98/438063298.db2.gz	KCPVZGMBSQNCSE-UHFFFAOYSA-N	-1	3	339.359	0.626	50	0		ECAAHM
CCn1cnnc1CCNC(=O)N1CCC[C@H](c2cc(=O)[n-]cn2)C1	ZINC000534577297	439529305	/nfs/dbraw/zinc/52/93/05/439529305.db2.gz	FNZGKETXTRAJEN-LBPRGKRZSA-N	-1	3	345.407	0.925	50	0		ECAAHM
CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F	ZINC000585115639	439632498	/nfs/dbraw/zinc/63/24/98/439632498.db2.gz	LNQMEIHCVFKMJG-ZCFIWIBFSA-N	-1	3	331.325	0.063	50	0		ECAAHM
CN1CC=C2C(C#N)=C(N)[C@](C#N)(C(=O)[O-])[C@@H](c3cccnc3)[C@H]2C1	ZINC000075252262	545688389	/nfs/dbraw/zinc/68/83/89/545688389.db2.gz	CUHCMHSJVFTXHA-RLFYNMQTSA-N	-1	3	335.367	0.998	50	0		ECAAHM
Cc1n[nH]c(C)c1CN1C[C@@H]2CN(C(=O)C3CC3)C[C@]2(C(=O)[O-])C1	ZINC000067868680	215235329	/nfs/dbraw/zinc/23/53/29/215235329.db2.gz	RCUHBACXOMTKHB-CXAGYDPISA-N	-1	3	332.404	0.782	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N[C@H]2CCCN(c3cnccn3)C2)c(=O)[n-]1	ZINC000215597012	241134415	/nfs/dbraw/zinc/13/44/15/241134415.db2.gz	CPWKNXDYICPHCU-ZDUSSCGKSA-N	-1	3	342.403	0.504	50	0		ECAAHM
CCOC(=O)C[C@H](NC(=O)Nc1c[nH]c(=O)[n-]c1=O)c1ccccc1	ZINC000020945693	212190746	/nfs/dbraw/zinc/19/07/46/212190746.db2.gz	WJRREJZZGJTAPN-NSHDSACASA-N	-1	3	346.343	0.879	50	0		ECAAHM
O=C(N[C@H]1C[C@H](c2cc(=O)[n-]c(C3CC3)n2)C1)c1ccnn1CCO	ZINC000253534772	244005977	/nfs/dbraw/zinc/00/59/77/244005977.db2.gz	BGPXZDKYZVQDBW-HAQNSBGRSA-N	-1	3	343.387	0.924	50	0		ECAAHM
Cc1cc(=O)n(CC(=O)N[C@@H]2C[C@H](c3cc(=O)[n-]c(C)n3)C2)nc1C	ZINC000253535690	244009947	/nfs/dbraw/zinc/00/99/47/244009947.db2.gz	MBYFQCYWACYFCM-BETUJISGSA-N	-1	3	343.387	0.727	50	0		ECAAHM
CN1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@]2(C(=O)[O-])C1	ZINC000091625179	218034551	/nfs/dbraw/zinc/03/45/51/218034551.db2.gz	JEKUHJPWLPCFHD-HOCLYGCPSA-N	-1	3	338.429	0.855	50	0		ECAAHM
COc1cc2c(cc1CNC(=O)CC[C@H]1NC(=O)[N-]C1=O)OCCO2	ZINC000092099407	218120102	/nfs/dbraw/zinc/12/01/02/218120102.db2.gz	BFFYPDRMDUKCFS-SNVBAGLBSA-N	-1	3	349.343	0.071	50	0		ECAAHM
Cn1ccnc1[C@@H](O)C1CCN(Cc2cc(=O)n3[n-]cnc3n2)CC1	ZINC000334159611	258004652	/nfs/dbraw/zinc/00/46/52/258004652.db2.gz	NDKUARLMYLSCGZ-AWEZNQCLSA-N	-1	3	343.391	0.097	50	0		ECAAHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@H]1CCCCn3nnnc31)C2	ZINC000299792208	258097580	/nfs/dbraw/zinc/09/75/80/258097580.db2.gz	FLSVBIORYOFDGD-NSHDSACASA-N	-1	3	329.364	0.330	50	0		ECAAHM
Cc1cc2nc(CCNC(=O)CC[C@@H]3NC(=O)[N-]C3=O)[nH]c2cc1C	ZINC000299795728	258100461	/nfs/dbraw/zinc/10/04/61/258100461.db2.gz	OWLVZRWCLWWIFW-NSHDSACASA-N	-1	3	343.387	0.827	50	0		ECAAHM
Cc1nccn1CCC(=O)N1C[C@H](CC(=O)[O-])[C@H](c2c[nH]nn2)C1	ZINC000299762411	258079778	/nfs/dbraw/zinc/07/97/78/258079778.db2.gz	VCMBLAJFYZXZKQ-NWDGAFQWSA-N	-1	3	332.364	0.417	50	0		ECAAHM
COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCCNC2=O)oc1C	ZINC000001026095	435959707	/nfs/dbraw/zinc/95/97/07/435959707.db2.gz	LLULVRWLCTYHMT-JTQLQIEISA-N	-1	3	330.362	0.322	50	0		ECAAHM
CCOC(=O)C(Sc1nc(N(C)C)nc(N(C)C)n1)=C(C)[O-]	ZINC000000616322	435954838	/nfs/dbraw/zinc/95/48/38/435954838.db2.gz	PTKLFRUHPAZXDJ-SECBINFHSA-N	-1	3	327.410	0.616	50	0		ECAAHM
Cc1ccc(NC(=O)[C@@H](C)OC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000012792200	436056280	/nfs/dbraw/zinc/05/62/80/436056280.db2.gz	HNVJPSVHYJQFKP-ZYHUDNBSSA-N	-1	3	333.344	0.853	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(NC(=O)C2CC2)cc1	ZINC000012994380	436059539	/nfs/dbraw/zinc/05/95/39/436059539.db2.gz	YRTGEYKNXUWJLB-ZDUSSCGKSA-N	-1	3	344.371	0.640	50	0		ECAAHM
O=S(=O)([N-]C[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1F	ZINC000044457602	436341417	/nfs/dbraw/zinc/34/14/17/436341417.db2.gz	MJCHQBVPLSLHHQ-MRVPVSSYSA-N	-1	3	325.358	0.678	50	0		ECAAHM
Cc1ccc([O-])c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1	ZINC000045946158	436381735	/nfs/dbraw/zinc/38/17/35/436381735.db2.gz	KGOYQZOWXLPQTR-UHFFFAOYSA-N	-1	3	347.415	0.317	50	0		ECAAHM
CC(=O)N1CCN(CC[N-]S(=O)(=O)c2cc(C)ccc2F)CC1	ZINC000048325298	436449413	/nfs/dbraw/zinc/44/94/13/436449413.db2.gz	VSOQDFWDCFRELJ-UHFFFAOYSA-N	-1	3	343.424	0.577	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCn1ccnc1-c1ncccn1	ZINC000096103911	436511536	/nfs/dbraw/zinc/51/15/36/436511536.db2.gz	CWOXHOXHSWSQLW-UHFFFAOYSA-N	-1	3	348.388	0.923	50	0		ECAAHM
COC[C@H]1[C@@H](NC(=O)c2cc(CC(C)C)nc(=O)[n-]2)[C@@H]2CCO[C@H]12	ZINC000222276145	436702250	/nfs/dbraw/zinc/70/22/50/436702250.db2.gz	ZBQRHSJFCMBNOC-JURCDPSOSA-N	-1	3	335.404	0.748	50	0		ECAAHM
O=C([C@@H]1COc2ccccc2O1)N1CC[C@@H](n2c([O-])coc2=O)C1	ZINC000225699647	436712786	/nfs/dbraw/zinc/71/27/86/436712786.db2.gz	GVMDPQZIMNVQPO-MFKMUULPSA-N	-1	3	332.312	0.406	50	0		ECAAHM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)ccc1F	ZINC000153582840	436758490	/nfs/dbraw/zinc/75/84/90/436758490.db2.gz	PIYQVEJQUBMNMO-AOOOYVTPSA-N	-1	3	329.397	0.556	50	0		ECAAHM
CCN(CCNC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1cccc(C)c1	ZINC000069178315	436765305	/nfs/dbraw/zinc/76/53/05/436765305.db2.gz	LYRJZELRSQEQKV-AWEZNQCLSA-N	-1	3	332.404	0.926	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O	ZINC000254927428	436850544	/nfs/dbraw/zinc/85/05/44/436850544.db2.gz	WULZCLNFSTXBQU-MRXNPFEDSA-N	-1	3	345.359	0.714	50	0		ECAAHM
CO[C@]12CCN(CCn3cc[nH]c3=O)[C@H]1C[C@@H](OCC(=O)[O-])CC2	ZINC000299774148	437113089	/nfs/dbraw/zinc/11/30/89/437113089.db2.gz	BBZGFBVINHSMKI-HEHGZKQESA-N	-1	3	339.392	0.290	50	0		ECAAHM
COc1nc(C[N-]S(=O)(=O)c2ccc(C)c(C)c2)nc(OC)n1	ZINC000575606767	438750750	/nfs/dbraw/zinc/75/07/50/438750750.db2.gz	LFWGJLFADGKCAJ-UHFFFAOYSA-N	-1	3	338.389	0.984	50	0		ECAAHM
CN1CCc2c(CNC(=O)[C@H]3CCCO3)c3c(c([O-])c2C1=O)OCO3	ZINC000604405081	439312823	/nfs/dbraw/zinc/31/28/23/439312823.db2.gz	PRPIHTQSYOYFRF-LLVKDONJSA-N	-1	3	348.355	0.544	50	0		ECAAHM
CN(Cc1nc(=O)o[n-]1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1	ZINC000585130276	439634535	/nfs/dbraw/zinc/63/45/35/439634535.db2.gz	LZLNRQFYWWAAOG-ZDUSSCGKSA-N	-1	3	331.376	0.629	50	0		ECAAHM
CCOc1ccc(NC(=O)COC(=O)c2c[nH]c(=O)[n-]c2=O)cc1	ZINC000003332142	210009744	/nfs/dbraw/zinc/00/97/44/210009744.db2.gz	IJTKWRIJUMNZAO-UHFFFAOYSA-N	-1	3	333.300	0.257	50	0		ECAAHM
COCc1nc2c(cnn2C)c(NCCc2cc(=O)[n-]c(C)n2)n1	ZINC000072144184	216030635	/nfs/dbraw/zinc/03/06/35/216030635.db2.gz	MBTJGZWMAHYZTA-UHFFFAOYSA-N	-1	3	329.364	0.556	50	0		ECAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCN(Cc2cccc(F)c2)CC1	ZINC000072447563	216237192	/nfs/dbraw/zinc/23/71/92/216237192.db2.gz	HQMUUSGDZDQRGD-UHFFFAOYSA-N	-1	3	332.335	0.573	50	0		ECAAHM
Cc1nc(N)nc(C)c1CC(=O)N1CCC(c2cc(=O)[n-]cn2)CC1	ZINC000023367401	212370539	/nfs/dbraw/zinc/37/05/39/212370539.db2.gz	ZMLXIXPMPPGNOX-UHFFFAOYSA-N	-1	3	342.403	0.708	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1csc(-c2ccncc2)n1	ZINC000215855756	241149421	/nfs/dbraw/zinc/14/94/21/241149421.db2.gz	JUILIFOOEHJWOJ-NSHDSACASA-N	-1	3	345.384	0.462	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N[C@H](Cn1cccn1)c1ccccc1	ZINC000216234828	241174513	/nfs/dbraw/zinc/17/45/13/241174513.db2.gz	PVBMSGPBKJQQRR-CYBMUJFWSA-N	-1	3	327.344	0.292	50	0		ECAAHM
Cn1cc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)c(=O)[n-]c1=O	ZINC000216428235	241193161	/nfs/dbraw/zinc/19/31/61/241193161.db2.gz	WLOCYTUQRIXVEO-CQSZACIVSA-N	-1	3	339.355	0.441	50	0		ECAAHM
COc1cccc2c1OCCCN(C(=O)C[C@H]1NC(=O)[N-]C1=O)C2	ZINC000215463712	241125908	/nfs/dbraw/zinc/12/59/08/241125908.db2.gz	NFTGPKCMJVXCMV-LLVKDONJSA-N	-1	3	333.344	0.404	50	0		ECAAHM
O=C(NCc1c[nH]c(=O)[n-]c1=O)[C@@H]1CCCN1Cc1ccccc1	ZINC000219284308	241374673	/nfs/dbraw/zinc/37/46/73/241374673.db2.gz	ICQAEAJHUUSIKB-AWEZNQCLSA-N	-1	3	328.372	0.344	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CCNC(=O)c2ccccc2Cl)c1	ZINC000075940765	216672109	/nfs/dbraw/zinc/67/21/09/216672109.db2.gz	NYNPVMZJQRQFNR-UHFFFAOYSA-N	-1	3	342.808	0.782	50	0		ECAAHM
Cn1cc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)c(=O)[n-]c1=O	ZINC000253535486	244008520	/nfs/dbraw/zinc/00/85/20/244008520.db2.gz	VUHDNXBBOCEVHA-GIPNMCIBSA-N	-1	3	330.344	0.123	50	0		ECAAHM
Cc1cc(=O)n(CCN(C)Cc2cccc(-c3nnn[n-]3)c2)c(=O)[nH]1	ZINC000253536159	244012151	/nfs/dbraw/zinc/01/21/51/244012151.db2.gz	AUCYHJSUOYVIFL-UHFFFAOYSA-N	-1	3	341.375	0.569	50	0		ECAAHM
Cc1cccnc1CN1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)CC1	ZINC000091679104	218046279	/nfs/dbraw/zinc/04/62/79/218046279.db2.gz	RKERZQCRHAWOCZ-ZDUSSCGKSA-N	-1	3	345.403	0.022	50	0		ECAAHM
CCOC(=O)[C@H](CC)Sc1nc2c(cnn2CCO)c(=O)[n-]1	ZINC000007418139	210797123	/nfs/dbraw/zinc/79/71/23/210797123.db2.gz	YJIWPEBUBYFHEB-VIFPVBQESA-N	-1	3	326.378	0.546	50	0		ECAAHM
COc1ccc([C@@H](C(=O)[O-])N2CCN(C3CCN(C)CC3)CC2)cn1	ZINC000095382393	295202861	/nfs/dbraw/zinc/20/28/61/295202861.db2.gz	YQSVJHGNNQZVIN-KRWDZBQOSA-N	-1	3	348.447	0.928	50	0		ECAAHM
CCS(=O)(=O)[N-]c1cc(N2CCCS2(=O)=O)ccc1OC	ZINC000005328964	435985644	/nfs/dbraw/zinc/98/56/44/435985644.db2.gz	BOAUIGDBIQWCNM-UHFFFAOYSA-N	-1	3	334.419	0.997	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCc1csc2ncnn12	ZINC000005483689	435989078	/nfs/dbraw/zinc/98/90/78/435989078.db2.gz	VIXAELOEGSJYCX-UHFFFAOYSA-N	-1	3	327.391	0.917	50	0		ECAAHM
O=C([O-])[C@@H](CC(=O)Nc1ccccc1)CN1CCN(CCO)CC1	ZINC000071282630	436007175	/nfs/dbraw/zinc/00/71/75/436007175.db2.gz	VYCSNCDPXDBUQU-AWEZNQCLSA-N	-1	3	335.404	0.326	50	0		ECAAHM
CC(C)[C@H]1CN(C(=O)c2cc(=O)[n-]c(=O)[nH]2)CCC(=O)N1CC1CC1	ZINC000071750922	436009441	/nfs/dbraw/zinc/00/94/41/436009441.db2.gz	AIVMDAHKNSVXQO-CYBMUJFWSA-N	-1	3	348.403	0.585	50	0		ECAAHM
Nc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@@H]1COc3ccccc3O1)C2	ZINC000071754638	436010993	/nfs/dbraw/zinc/01/09/93/436010993.db2.gz	YCDZZFTVLSRILN-ZDUSSCGKSA-N	-1	3	328.328	0.077	50	0		ECAAHM
Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c([O-])c1	ZINC000015922980	436087049	/nfs/dbraw/zinc/08/70/49/436087049.db2.gz	VYHQEXKMLLUPDW-UHFFFAOYSA-N	-1	3	343.343	0.086	50	0		ECAAHM
CCOC(=O)N=c1[n-]c2c(s1)CN(S(=O)(=O)N(C)C)CC2	ZINC000075157913	436156533	/nfs/dbraw/zinc/15/65/33/436156533.db2.gz	DZAUAZLIHBTEMA-UHFFFAOYSA-N	-1	3	334.423	0.876	50	0		ECAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)N1	ZINC000048235445	436445220	/nfs/dbraw/zinc/44/52/20/436445220.db2.gz	ZADQDUGKFYANCI-UHFFFAOYSA-N	-1	3	345.327	0.328	50	0		ECAAHM
COCCC(=O)N1C[C@@H]2CN(Cc3cccnc3N)C[C@]2(C(=O)[O-])C1	ZINC000091288931	436449466	/nfs/dbraw/zinc/44/94/66/436449466.db2.gz	GOJQWLKGNVHFPI-GUYCJALGSA-N	-1	3	348.403	0.045	50	0		ECAAHM
Cc1nc(C)c(CC(=O)NC2CCN(c3ncccn3)CC2)c(=O)[n-]1	ZINC000047119040	436411780	/nfs/dbraw/zinc/41/17/80/436411780.db2.gz	JMIURWUWQNVPGO-UHFFFAOYSA-N	-1	3	342.403	0.504	50	0		ECAAHM
Cn1cc(C(=O)NC[C@H]2CCOc3ccccc3C2)c(=O)[n-]c1=O	ZINC000096153642	436518086	/nfs/dbraw/zinc/51/80/86/436518086.db2.gz	OTMNWYXXWFSBTR-NSHDSACASA-N	-1	3	329.356	0.445	50	0		ECAAHM
CN(C)CC[N-]S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1	ZINC000096101723	436511741	/nfs/dbraw/zinc/51/17/41/436511741.db2.gz	NFWMKIGBYDAUTP-UHFFFAOYSA-N	-1	3	342.446	0.349	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]C[C@@H](O)c2cn(C)c3ccccc23)c1	ZINC000096098354	436512123	/nfs/dbraw/zinc/51/21/23/436512123.db2.gz	KKYFLGIFKHMMSV-CQSZACIVSA-N	-1	3	334.401	0.924	50	0		ECAAHM
CCc1ncc(CN2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)cn1	ZINC000065385935	436656849	/nfs/dbraw/zinc/65/68/49/436656849.db2.gz	GIRJELOKDXKWSU-RDTXWAMCSA-N	-1	3	344.415	0.794	50	0		ECAAHM
Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)NCCN2CCC(O)CC2)n1	ZINC000220384225	436698771	/nfs/dbraw/zinc/69/87/71/436698771.db2.gz	ONGMEYWLKULUSB-NSHDSACASA-N	-1	3	340.449	0.132	50	0		ECAAHM
Cn1nnnc1N1CCC([N-]S(=O)(=O)c2ccccc2F)CC1	ZINC000065489903	436665064	/nfs/dbraw/zinc/66/50/64/436665064.db2.gz	IWFQJMKDGXOZBF-UHFFFAOYSA-N	-1	3	340.384	0.297	50	0		ECAAHM
COC(=O)c1cc(C)nc2nc(SCC(=O)N(C)C)[n-]c(=O)c12	ZINC000065542924	436667005	/nfs/dbraw/zinc/66/70/05/436667005.db2.gz	GGYMREAVNDIPQE-UHFFFAOYSA-N	-1	3	336.373	0.593	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cn1C	ZINC000065576295	436668340	/nfs/dbraw/zinc/66/83/40/436668340.db2.gz	XBWIXMGZKDGVIA-NTZNESFSSA-N	-1	3	342.465	0.948	50	0		ECAAHM
CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(-n2cnnn2)ccc1[O-]	ZINC000252491538	436834456	/nfs/dbraw/zinc/83/44/56/436834456.db2.gz	LNXYSYPHYWBYDE-ZFWWWQNUSA-N	-1	3	346.391	0.205	50	0		ECAAHM
C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1nc[nH]n1	ZINC000329419434	437365233	/nfs/dbraw/zinc/36/52/33/437365233.db2.gz	DZCGNJIMKBGGSB-SSDOTTSWSA-N	-1	3	339.352	0.868	50	0		ECAAHM
COc1nc(C[N-]S(=O)(=O)c2cc(C)ccc2C)nc(OC)n1	ZINC000575608641	438751113	/nfs/dbraw/zinc/75/11/13/438751113.db2.gz	WPDNZCKGNYHIJR-UHFFFAOYSA-N	-1	3	338.389	0.984	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1cn(-c2cccnc2)nn1	ZINC000575619501	438751678	/nfs/dbraw/zinc/75/16/78/438751678.db2.gz	UKMRPIWYKXDBQX-UHFFFAOYSA-N	-1	3	334.361	0.746	50	0		ECAAHM
Cc1ccc(OCCS(=O)(=O)[N-]Cc2nnc(N)s2)cc1	ZINC000534675351	439533215	/nfs/dbraw/zinc/53/32/15/439533215.db2.gz	BBVACVQIHRUEPE-UHFFFAOYSA-N	-1	3	328.419	0.927	50	0		ECAAHM
Cc1cc(C)n(CC[N-]S(=O)(=O)c2ccccc2F)c(=O)n1	ZINC000670453387	548014130	/nfs/dbraw/zinc/01/41/30/548014130.db2.gz	BBXUMLCDIKOVPN-UHFFFAOYSA-N	-1	3	325.365	0.978	50	0		ECAAHM
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cn[n-]n1	ZINC000054148931	609126902	/nfs/dbraw/zinc/12/69/02/609126902.db2.gz	DXIPXRURPARXDR-UHFFFAOYSA-N	-1	3	337.405	0.563	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1ccccc1Cn1cccn1	ZINC000053673983	214194418	/nfs/dbraw/zinc/19/44/18/214194418.db2.gz	ISRNDOXDHKWLIW-AWEZNQCLSA-N	-1	3	341.371	0.536	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)N1CC[C@@H](CO)C1)CNCC2	ZINC000067513989	215156758	/nfs/dbraw/zinc/15/67/58/215156758.db2.gz	IDNDTOFXOZPYCE-MRVPVSSYSA-N	-1	3	346.430	0.095	50	0		ECAAHM
CC[C@H](NC(=O)c1cc(-n2cnnn2)ccc1[O-])c1ccnn1C	ZINC000067817465	215219554	/nfs/dbraw/zinc/21/95/54/215219554.db2.gz	NBSALCYCNVLZDQ-LBPRGKRZSA-N	-1	3	327.348	0.983	50	0		ECAAHM
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1c[n-]nn1	ZINC000069384750	215395333	/nfs/dbraw/zinc/39/53/33/215395333.db2.gz	CBEYDQVSZZGPKX-UHFFFAOYSA-N	-1	3	349.416	0.909	50	0		ECAAHM
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cnn[n-]1	ZINC000069384750	215395335	/nfs/dbraw/zinc/39/53/35/215395335.db2.gz	CBEYDQVSZZGPKX-UHFFFAOYSA-N	-1	3	349.416	0.909	50	0		ECAAHM
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cn[n-]n1	ZINC000069384750	215395338	/nfs/dbraw/zinc/39/53/38/215395338.db2.gz	CBEYDQVSZZGPKX-UHFFFAOYSA-N	-1	3	349.416	0.909	50	0		ECAAHM
CCN(Cc1ccc2c(c1)OCO2)C(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000040476603	213313240	/nfs/dbraw/zinc/31/32/40/213313240.db2.gz	RDHHMVUDZVHUMI-LLVKDONJSA-N	-1	3	333.344	0.752	50	0		ECAAHM
COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1	ZINC000069845231	215603140	/nfs/dbraw/zinc/60/31/40/215603140.db2.gz	XZUKHHZBBCFMCU-UWVGGRQHSA-N	-1	3	343.405	0.560	50	0		ECAAHM
Cc1cc(C(=O)NCC[N-]S(=O)(=O)c2cccs2)nn1C	ZINC000036617325	213103821	/nfs/dbraw/zinc/10/38/21/213103821.db2.gz	JINLYRXYPYPCDJ-UHFFFAOYSA-N	-1	3	328.419	0.498	50	0		ECAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)c1n[nH]c3c1CCC3)C2	ZINC000072168432	216059345	/nfs/dbraw/zinc/05/93/45/216059345.db2.gz	NWWGOKMJEZWQOP-UHFFFAOYSA-N	-1	3	328.376	0.246	50	0		ECAAHM
COc1ccccc1OC1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1	ZINC000072425835	216216196	/nfs/dbraw/zinc/21/61/96/216216196.db2.gz	GVOSTHIVNXZBFE-LBPRGKRZSA-N	-1	3	347.371	0.663	50	0		ECAAHM
CCCN1C(=O)CC[C@H]2CN(C(=O)Cc3cnc(C)[n-]c3=O)CC[C@H]21	ZINC000072458541	216243745	/nfs/dbraw/zinc/24/37/45/216243745.db2.gz	MTXFDYGSGVJIKH-DZGCQCFKSA-N	-1	3	346.431	0.870	50	0		ECAAHM
COc1ccccc1[C@@H]1CCCN1C(=O)Cc1c[nH]c(=O)[n-]c1=O	ZINC000215780637	241146951	/nfs/dbraw/zinc/14/69/51/241146951.db2.gz	FNRPVECJWSMSPE-ZDUSSCGKSA-N	-1	3	329.356	0.978	50	0		ECAAHM
Cn1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)c(=O)[n-]c1=O	ZINC000216041532	241160721	/nfs/dbraw/zinc/16/07/21/241160721.db2.gz	VNAUBHFXYWSVRP-GFCCVEGCSA-N	-1	3	331.376	0.355	50	0		ECAAHM
Cc1ccc2c(c1)C[C@H](C(=O)NCCNc1nc(C)cc(=O)[n-]1)N2	ZINC000217140046	241238220	/nfs/dbraw/zinc/23/82/20/241238220.db2.gz	MMUFNWJDVMMYQO-CQSZACIVSA-N	-1	3	327.388	0.952	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)Cn2nc3ccccc3n2)n1	ZINC000219911158	241419955	/nfs/dbraw/zinc/41/99/55/241419955.db2.gz	ZYBUQMRRHMATMF-UHFFFAOYSA-N	-1	3	327.348	0.051	50	0		ECAAHM
Cc1nn(CCNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)c(C)c1Cl	ZINC000091603881	218030255	/nfs/dbraw/zinc/03/02/55/218030255.db2.gz	QXHVYFQSOIARNP-VIFPVBQESA-N	-1	3	327.772	0.258	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCc1noc(C2CCCC2)n1	ZINC000091694748	218049171	/nfs/dbraw/zinc/04/91/71/218049171.db2.gz	NQLQFIJHNCZDEI-JTQLQIEISA-N	-1	3	335.364	0.374	50	0		ECAAHM
Cc1ncc(CC(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c(=O)[n-]1	ZINC000091872944	218081891	/nfs/dbraw/zinc/08/18/91/218081891.db2.gz	WDRXPJOILCZIRL-XIKOKIGWSA-N	-1	3	349.431	0.647	50	0		ECAAHM
CN(C)C(=O)c1ccc(CN2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)o1	ZINC000299772229	258084229	/nfs/dbraw/zinc/08/42/29/258084229.db2.gz	SQZNZVIVFGKVME-CMPLNLGQSA-N	-1	3	347.375	0.790	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)OCc1cc2c(c(Cl)c1)OCO2	ZINC000069696807	435960580	/nfs/dbraw/zinc/96/05/80/435960580.db2.gz	APMDWSZPQKQSDU-UHFFFAOYSA-N	-1	3	326.692	0.664	50	0		ECAAHM
O=C(CNC(=O)c1ccc(Br)o1)[N-]C1=NCCS1	ZINC000005173972	435985958	/nfs/dbraw/zinc/98/59/58/435985958.db2.gz	KOLRDBADZNEVQV-UHFFFAOYSA-N	-1	3	332.179	0.991	50	0		ECAAHM
Cc1ccccc1OC[C@H](O)C(=O)N1CCc2c(=O)[n-]c(C)nc2C1	ZINC000071763893	436008951	/nfs/dbraw/zinc/00/89/51/436008951.db2.gz	OSXWPQRNOAIICQ-HNNXBMFYSA-N	-1	3	343.383	0.711	50	0		ECAAHM
Cc1ccccc1OC[C@@H](O)C(=O)N1CCc2c(=O)[n-]c(C)nc2C1	ZINC000071763894	436009107	/nfs/dbraw/zinc/00/91/07/436009107.db2.gz	OSXWPQRNOAIICQ-OAHLLOKOSA-N	-1	3	343.383	0.711	50	0		ECAAHM
C[C@H](Cn1cccn1)NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O	ZINC000024804052	436140637	/nfs/dbraw/zinc/14/06/37/436140637.db2.gz	JIYPSAYIYBWANH-LLVKDONJSA-N	-1	3	327.344	0.504	50	0		ECAAHM
COc1ccc2c(c1)[n-]cc(C(=O)NCCN1CCOCC1)c2=O	ZINC000026400477	436163729	/nfs/dbraw/zinc/16/37/29/436163729.db2.gz	DTUISVSRQYKXGN-UHFFFAOYSA-N	-1	3	331.372	0.599	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N1CCC(OCc2cccnc2)CC1	ZINC000077437840	436238197	/nfs/dbraw/zinc/23/81/97/436238197.db2.gz	MATXVOVGAWGOAF-UHFFFAOYSA-N	-1	3	332.360	0.141	50	0		ECAAHM
COc1ccc(OC)c([C@H]2CCN(C(=O)c3c[nH]c(=O)[n-]c3=O)C2)c1	ZINC000077520898	436240808	/nfs/dbraw/zinc/24/08/08/436240808.db2.gz	QHBZAXHDTDZZEZ-JTQLQIEISA-N	-1	3	345.355	0.710	50	0		ECAAHM
O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCC[C@H]1CN1CCOCC1	ZINC000077322805	436231436	/nfs/dbraw/zinc/23/14/36/436231436.db2.gz	NOYLYSJKEFYWRS-AWEZNQCLSA-N	-1	3	346.431	0.974	50	0		ECAAHM
COc1cc2c(cc1CNC(=O)CC[C@H]1NC(=O)[N-]C1=O)CCC2	ZINC000092020176	436464287	/nfs/dbraw/zinc/46/42/87/436464287.db2.gz	CFPWGJAPFKJIAS-CYBMUJFWSA-N	-1	3	331.372	0.788	50	0		ECAAHM
Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c([O-])c1	ZINC000095368318	436491445	/nfs/dbraw/zinc/49/14/45/436491445.db2.gz	WPAFVQOWGDNDDA-HZPDHXFCSA-N	-1	3	347.459	0.629	50	0		ECAAHM
CCN1CCN(C[C@@H](C)C[N-]S(=O)(=O)c2cncc(F)c2)CC1	ZINC000095961883	436501813	/nfs/dbraw/zinc/50/18/13/436501813.db2.gz	BAAPZKIUDFBJFZ-ZDUSSCGKSA-N	-1	3	344.456	0.773	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCO[C@@H](c3nccs3)C1)[n-]c2=O	ZINC000097200033	436542276	/nfs/dbraw/zinc/54/22/76/436542276.db2.gz	HZQYHFFCBMROEN-SNVBAGLBSA-N	-1	3	332.389	0.687	50	0		ECAAHM
CCc1cc(NCCc2nc(N)cc(=O)[n-]2)nc(N2CCOCC2)n1	ZINC000065398092	436656771	/nfs/dbraw/zinc/65/67/71/436656771.db2.gz	WGLBCLDUCZBFKF-UHFFFAOYSA-N	-1	3	345.407	0.196	50	0		ECAAHM
Cc1cc(=O)[n-]c(CCNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)n1	ZINC000220744182	436700867	/nfs/dbraw/zinc/70/08/67/436700867.db2.gz	IILPZQPZYLAZFO-AWEZNQCLSA-N	-1	3	339.399	0.788	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNc2cc(C3CC(O)C3)nc(C)n2)n1	ZINC000223218100	436704916	/nfs/dbraw/zinc/70/49/16/436704916.db2.gz	SEXPHUGHJZIXGB-UHFFFAOYSA-N	-1	3	330.392	0.939	50	0		ECAAHM
COc1ccccc1OCC(=O)N1CC[C@H](n2c([O-])coc2=O)C1	ZINC000225699781	436712979	/nfs/dbraw/zinc/71/29/79/436712979.db2.gz	IKFAPXFYAUWMSR-NSHDSACASA-N	-1	3	334.328	0.654	50	0		ECAAHM
Cc1cc(S(=O)(=O)N2CC[C@H](n3c([O-])coc3=O)C2)ccc1F	ZINC000225703659	436713311	/nfs/dbraw/zinc/71/33/11/436713311.db2.gz	AHHXYWMQVNSXOS-JTQLQIEISA-N	-1	3	342.348	0.876	50	0		ECAAHM
Cc1cc(F)ccc1S(=O)(=O)N1CC(n2c([O-])coc2=O)C1	ZINC000252536428	436838416	/nfs/dbraw/zinc/83/84/16/436838416.db2.gz	INXBDZKNMVDXPT-UHFFFAOYSA-N	-1	3	328.321	0.486	50	0		ECAAHM
CCc1ocnc1C(=O)NC1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000426582838	438068046	/nfs/dbraw/zinc/06/80/46/438068046.db2.gz	OWKICEMSAKQGOV-UHFFFAOYSA-N	-1	3	332.364	0.714	50	0		ECAAHM
COc1c[n-]c(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1=O	ZINC000524732620	439190352	/nfs/dbraw/zinc/19/03/52/439190352.db2.gz	FHPPZXNSAYORSD-UHFFFAOYSA-N	-1	3	328.328	0.826	50	0		ECAAHM
COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000582358076	439326116	/nfs/dbraw/zinc/32/61/16/439326116.db2.gz	CFJOSNZTFVFVME-MGPQQGTHSA-N	-1	3	327.425	0.849	50	0		ECAAHM
COCCn1c(C)cnc1CC[N-]S(=O)(=O)c1c(C)noc1C	ZINC000169788124	609746521	/nfs/dbraw/zinc/74/65/21/609746521.db2.gz	ZUEUZYLZWKIJMP-UHFFFAOYSA-N	-1	3	342.421	0.964	50	0		ECAAHM
COc1ccc(S(=O)(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc1OC	ZINC000004439775	210193114	/nfs/dbraw/zinc/19/31/14/210193114.db2.gz	VTXUQMSPQCIQHF-UHFFFAOYSA-N	-1	3	341.345	0.602	50	0		ECAAHM
Cc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1C	ZINC000004270182	210156522	/nfs/dbraw/zinc/15/65/22/210156522.db2.gz	CUHUCLVHNFVCLJ-UHFFFAOYSA-N	-1	3	337.401	0.810	50	0		ECAAHM
Cc1nn2c(nnc2SCC(=O)Nc2cccc(F)c2)[n-]c1=O	ZINC000004251383	210153249	/nfs/dbraw/zinc/15/32/49/210153249.db2.gz	IEECQHCOPINTNS-UHFFFAOYSA-N	-1	3	334.336	0.991	50	0		ECAAHM
CN1CCN(C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1C(=O)[O-]	ZINC000067691096	215185387	/nfs/dbraw/zinc/18/53/87/215185387.db2.gz	KPJDALXZXXTYGS-MRXNPFEDSA-N	-1	3	331.416	0.992	50	0		ECAAHM
COC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)CN1C	ZINC000067743407	215200269	/nfs/dbraw/zinc/20/02/69/215200269.db2.gz	LOCBTURIODYWOU-YGRLFVJLSA-N	-1	3	329.356	0.504	50	0		ECAAHM
O=C([O-])[C@@]12CNC(=O)[C@@H]1CN(Cc1cc(F)ccc1-n1cccn1)C2	ZINC000072430633	216224210	/nfs/dbraw/zinc/22/42/10/216224210.db2.gz	NLZCQGCUCJFGQI-SUMWQHHRSA-N	-1	3	344.346	0.644	50	0		ECAAHM
Cc1nc(CC(=O)NC2CCN(c3cc(=O)[n-]c(N)n3)CC2)cs1	ZINC000072436632	216231874	/nfs/dbraw/zinc/23/18/74/216231874.db2.gz	PIGFZJSPAPFBAA-UHFFFAOYSA-N	-1	3	348.432	0.445	50	0		ECAAHM
O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ncccc1[O-]	ZINC000022265092	212285861	/nfs/dbraw/zinc/28/58/61/212285861.db2.gz	PHWUUCIBVIITCU-UHFFFAOYSA-N	-1	3	346.368	0.855	50	0		ECAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1ccccc1	ZINC000009454711	211086415	/nfs/dbraw/zinc/08/64/15/211086415.db2.gz	VPQNLJQKKFLUDW-UHFFFAOYSA-N	-1	3	338.161	0.616	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@H]2Cc3ccccc3CN2C)n1	ZINC000095381154	218313830	/nfs/dbraw/zinc/31/38/30/218313830.db2.gz	JFJREBBEEOSHNR-OAHLLOKOSA-N	-1	3	341.415	0.663	50	0		ECAAHM
CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)CC1=O	ZINC000262879276	285284950	/nfs/dbraw/zinc/28/49/50/285284950.db2.gz	LEYWQPZXSKCWGA-IPYPFGDCSA-N	-1	3	339.436	0.545	50	0		ECAAHM
CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	ZINC000299751149	258007310	/nfs/dbraw/zinc/00/73/10/258007310.db2.gz	PSMCPNRVHZLAHS-GFCCVEGCSA-N	-1	3	337.351	0.726	50	0		ECAAHM
O=C([O-])C[C@H]1CN(CC(=O)NCc2ccccc2)C[C@H]1c1cn[nH]n1	ZINC000299783321	258091444	/nfs/dbraw/zinc/09/14/44/258091444.db2.gz	ZAORTPDOGJIILU-UONOGXRCSA-N	-1	3	343.387	0.611	50	0		ECAAHM
O=C([O-])C[C@H]1CN(CC(=O)NCc2ccccc2)C[C@H]1c1c[nH]nn1	ZINC000299783321	258091445	/nfs/dbraw/zinc/09/14/45/258091445.db2.gz	ZAORTPDOGJIILU-UONOGXRCSA-N	-1	3	343.387	0.611	50	0		ECAAHM
CC(C)C[C@@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000001709607	435960823	/nfs/dbraw/zinc/96/08/23/435960823.db2.gz	KEVYYIMVELOXCT-KGLIPLIRSA-N	-1	3	335.404	0.288	50	0		ECAAHM
CCOC(=O)[C@@]([O-])(CC(=O)Nc1cccc(C(N)=O)c1)C(F)(F)F	ZINC000002727113	435968191	/nfs/dbraw/zinc/96/81/91/435968191.db2.gz	DYZNSRVQRQFOLI-ZDUSSCGKSA-N	-1	3	348.277	0.971	50	0		ECAAHM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1cnc2ccccc2c1	ZINC000000034199	435949569	/nfs/dbraw/zinc/94/95/69/435949569.db2.gz	MMKLVQAUWVBHPB-UHFFFAOYSA-N	-1	3	332.341	0.721	50	0		ECAAHM
Cc1oc2c(c1C(=O)N1CCc3c(nc(N)[n-]c3=O)C1)C(=O)CCC2	ZINC000071759348	436008694	/nfs/dbraw/zinc/00/86/94/436008694.db2.gz	ZVOYRKMZZKCKTH-UHFFFAOYSA-N	-1	3	342.355	0.971	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)Nc1nc2ccccc2n1-c1ccccc1	ZINC000071893282	436028133	/nfs/dbraw/zinc/02/81/33/436028133.db2.gz	KRCXULPWRVBTOG-UHFFFAOYSA-N	-1	3	349.350	1.516	50	0		ECAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CCC2(CC1)C(=O)Nc1ccccc12	ZINC000072172535	436037659	/nfs/dbraw/zinc/03/76/59/436037659.db2.gz	VEFXAVRGKRHCIW-UHFFFAOYSA-N	-1	3	340.339	0.189	50	0		ECAAHM
Cc1csc(CNC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)n1	ZINC000012917269	436057326	/nfs/dbraw/zinc/05/73/26/436057326.db2.gz	MEEMROJSTORSQT-UHFFFAOYSA-N	-1	3	330.369	0.771	50	0		ECAAHM
CCn1cc(S(=O)(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)cn1	ZINC000017066708	436097617	/nfs/dbraw/zinc/09/76/17/436097617.db2.gz	XYBOZVDOAIZWSC-SECBINFHSA-N	-1	3	326.300	0.924	50	0		ECAAHM
S=C(NCCN1CCOCC1)NN=c1[n-]ncc2ccccc21	ZINC000025286973	436148841	/nfs/dbraw/zinc/14/88/41/436148841.db2.gz	NIWLBNNDCOMGCT-UHFFFAOYSA-N	-1	3	332.433	0.753	50	0		ECAAHM
Cc1nc(C)c(CC(=O)NCc2ccc(-n3cccn3)nc2)c(=O)[n-]1	ZINC000042361338	436301612	/nfs/dbraw/zinc/30/16/12/436301612.db2.gz	QJCYWZDGQWGJCM-UHFFFAOYSA-N	-1	3	338.371	0.826	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)o1	ZINC000046672792	436398416	/nfs/dbraw/zinc/39/84/16/436398416.db2.gz	CVLUNTVVPAJRDB-SNVBAGLBSA-N	-1	3	341.389	0.813	50	0		ECAAHM
C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000048304004	436448554	/nfs/dbraw/zinc/44/85/54/436448554.db2.gz	QSMDSSVUXWRGFK-SECBINFHSA-N	-1	3	326.316	0.639	50	0		ECAAHM
CCN1CC[C@]2(CN(c3cncc(C(=O)[O-])n3)CCN2C)CCC1=O	ZINC000091305395	436449617	/nfs/dbraw/zinc/44/96/17/436449617.db2.gz	GCHAXLNPBPMNCP-KRWDZBQOSA-N	-1	3	347.419	0.698	50	0		ECAAHM
COc1ccc2[n-]c(C(=O)NCCN3CCOCC3)cc(=O)c2c1	ZINC000048534018	436453620	/nfs/dbraw/zinc/45/36/20/436453620.db2.gz	UYKCSAOJXDLCTD-UHFFFAOYSA-N	-1	3	331.372	0.599	50	0		ECAAHM
O=C(Cn1[n-]c(=O)ccc1=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000089826329	436417859	/nfs/dbraw/zinc/41/78/59/436417859.db2.gz	KNLNGARYLPHIFX-HNNXBMFYSA-N	-1	3	342.399	0.902	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CC[C@H](O)c2ccc3c(c2)OCO3)c1	ZINC000096026056	436504691	/nfs/dbraw/zinc/50/46/91/436504691.db2.gz	LGTVMOHFFFERPW-NSHDSACASA-N	-1	3	339.373	0.551	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCN(C/C=C\c2ccccc2)CC1	ZINC000096297787	436529729	/nfs/dbraw/zinc/52/97/29/436529729.db2.gz	APCVWRIBQNTKMN-IJVDHGTGSA-N	-1	3	342.399	0.442	50	0		ECAAHM
COc1ncnc2c1CN(Cc1nc3c(cnn3C)c(=O)[n-]1)CC2	ZINC000097202092	436542943	/nfs/dbraw/zinc/54/29/43/436542943.db2.gz	BRLLONYSFGJVNS-UHFFFAOYSA-N	-1	3	327.348	0.426	50	0		ECAAHM
Cc1c(CN2CCN(C)[C@@H](C(=O)[O-])C2)c(=O)n(-c2ccccc2)n1C	ZINC000106694583	436600930	/nfs/dbraw/zinc/60/09/30/436600930.db2.gz	QJFNBKUTXJERRA-MRXNPFEDSA-N	-1	3	344.415	0.685	50	0		ECAAHM
O=S(=O)([N-]C[C@@H]1CCCO1)[C@@H]1CS(=O)(=O)c2ccccc21	ZINC000065605885	436669729	/nfs/dbraw/zinc/66/97/29/436669729.db2.gz	WDBOQOLFEOGADE-GXFFZTMASA-N	-1	3	331.415	0.613	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCN(c2ncccn2)CC1	ZINC000254677494	436850419	/nfs/dbraw/zinc/85/04/19/436850419.db2.gz	JUAMWNMQAKPPOT-UHFFFAOYSA-N	-1	3	329.408	0.266	50	0		ECAAHM
CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000252477097	436832198	/nfs/dbraw/zinc/83/21/98/436832198.db2.gz	ICRFJOWOMHETLN-GHMZBOCLSA-N	-1	3	334.380	0.027	50	0		ECAAHM
COc1cccc(CC(=O)NCCNC(=O)c2ccccc2[O-])n1	ZINC000170600225	436946650	/nfs/dbraw/zinc/94/66/50/436946650.db2.gz	BBSADZVFWHMMOG-UHFFFAOYSA-N	-1	3	329.356	0.885	50	0		ECAAHM
CCOc1ncccc1C(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000426573108	438068663	/nfs/dbraw/zinc/06/86/63/438068663.db2.gz	LTZLGLLSZKNTHP-UHFFFAOYSA-N	-1	3	344.375	0.521	50	0		ECAAHM
COCCN1C[C@@H](C(=O)NCc2nnc(C(F)(F)F)[n-]2)CCC1=O	ZINC000426728363	438073477	/nfs/dbraw/zinc/07/34/77/438073477.db2.gz	ZQSSDHIILFJTQG-QMMMGPOBSA-N	-1	3	349.313	0.325	50	0		ECAAHM
COCCN1C[C@@H](C(=O)NCc2n[n-]c(C(F)(F)F)n2)CCC1=O	ZINC000426728363	438073484	/nfs/dbraw/zinc/07/34/84/438073484.db2.gz	ZQSSDHIILFJTQG-QMMMGPOBSA-N	-1	3	349.313	0.325	50	0		ECAAHM
COCCN1C[C@@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCC1=O	ZINC000426728363	438073490	/nfs/dbraw/zinc/07/34/90/438073490.db2.gz	ZQSSDHIILFJTQG-QMMMGPOBSA-N	-1	3	349.313	0.325	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCn2ccnc2-c2cnccn2)cn1C	ZINC000575609601	438750530	/nfs/dbraw/zinc/75/05/30/438750530.db2.gz	NLGWEKYOPKRDHI-UHFFFAOYSA-N	-1	3	347.404	0.361	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCc2nc(-c3cccnc3)no2)cn1C	ZINC000349796353	321315064	/nfs/dbraw/zinc/31/50/64/321315064.db2.gz	DZHQTGCATSNSNW-UHFFFAOYSA-N	-1	3	348.388	0.695	50	0		ECAAHM
CN1CCN2c3ccccc3C[C@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@@H]2C1	ZINC000035828118	536427711	/nfs/dbraw/zinc/42/77/11/536427711.db2.gz	WJMNLNOOSIATJT-SUMWQHHRSA-N	-1	3	328.372	0.898	50	0		ECAAHM
CN1CCN([C@H]2CCN(Cc3ccc(OCC(=O)[O-])cc3)C2)CC1	ZINC000215141003	545919363	/nfs/dbraw/zinc/91/93/63/545919363.db2.gz	IBAGVFBWBTUAGS-INIZCTEOSA-N	-1	3	333.432	0.972	50	0		ECAAHM
COc1cc(F)c(S(=O)(=O)[N-][C@@H]2C(=O)NCC2(C)C)cc1OC	ZINC000585094270	546287691	/nfs/dbraw/zinc/28/76/91/546287691.db2.gz	ZCJOPMNTXNAWQT-GFCCVEGCSA-N	-1	3	346.380	0.646	50	0		ECAAHM
NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccc(F)c(F)c1	ZINC000051316820	214087173	/nfs/dbraw/zinc/08/71/73/214087173.db2.gz	AXCNLUZUHSEARY-UHFFFAOYSA-N	-1	3	337.311	0.964	50	0		ECAAHM
NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccc(F)c(F)c1	ZINC000051316820	214087177	/nfs/dbraw/zinc/08/71/77/214087177.db2.gz	AXCNLUZUHSEARY-UHFFFAOYSA-N	-1	3	337.311	0.964	50	0		ECAAHM
Cn1ncc2c1nc(Cn1nnc(-c3cccc(F)c3)n1)[n-]c2=O	ZINC000054203461	214225032	/nfs/dbraw/zinc/22/50/32/214225032.db2.gz	QAUDDLLMXKAEAY-UHFFFAOYSA-N	-1	3	326.295	0.498	50	0		ECAAHM
CN1CCN(S(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)CC1	ZINC000067654757	215175832	/nfs/dbraw/zinc/17/58/32/215175832.db2.gz	PJUNMIMSSZMGEC-UHFFFAOYSA-N	-1	3	345.446	0.028	50	0		ECAAHM
Cc1ccc2[nH]c(CCCNC(=O)c3cc(=O)[n-]c(=O)[nH]3)nc2c1C	ZINC000067880156	215238996	/nfs/dbraw/zinc/23/89/96/215238996.db2.gz	HFKHDFDCZQMEAK-UHFFFAOYSA-N	-1	3	341.371	0.919	50	0		ECAAHM
Cc1ccc2nc(CCCNC(=O)c3cc(=O)[n-]c(=O)[nH]3)[nH]c2c1C	ZINC000067880156	215238998	/nfs/dbraw/zinc/23/89/98/215238998.db2.gz	HFKHDFDCZQMEAK-UHFFFAOYSA-N	-1	3	341.371	0.919	50	0		ECAAHM
COc1cc(CN2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)cc2c1OCO2	ZINC000072421974	216210721	/nfs/dbraw/zinc/21/07/21/216210721.db2.gz	BAUQSBXQDPYSHJ-MGPLVRAMSA-N	-1	3	334.328	0.057	50	0		ECAAHM
CN1CCN(CCCNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1	ZINC000022594095	212308291	/nfs/dbraw/zinc/30/82/91/212308291.db2.gz	UYIBJXVYMYAZGV-UHFFFAOYSA-N	-1	3	328.416	0.895	50	0		ECAAHM
O=C(c1ccc2n[n-]nc2c1)N1CCN(c2ccc3nccn3n2)CC1	ZINC000216220770	241173942	/nfs/dbraw/zinc/17/39/42/241173942.db2.gz	PNDZJRSOHCRTJV-UHFFFAOYSA-N	-1	3	348.370	0.963	50	0		ECAAHM
Cn1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)c(=O)[n-]c1=O	ZINC000215631318	241136862	/nfs/dbraw/zinc/13/68/62/241136862.db2.gz	XEMMRWQMSHXDNV-UHFFFAOYSA-N	-1	3	339.355	0.248	50	0		ECAAHM
C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cnn(C)c1	ZINC000020907264	212186434	/nfs/dbraw/zinc/18/64/34/212186434.db2.gz	CKBZMFRTLZSIRO-SECBINFHSA-N	-1	3	328.419	0.637	50	0		ECAAHM
Cc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)cc1N(C)C	ZINC000020489232	212138668	/nfs/dbraw/zinc/13/86/68/212138668.db2.gz	KGZJTOYQICJQOI-UHFFFAOYSA-N	-1	3	338.389	0.547	50	0		ECAAHM
Cn1cc(C(=O)N[C@@H](c2ccccc2)[C@H]2C[C@@H](O)C2)c(=O)[n-]c1=O	ZINC000253535165	244010874	/nfs/dbraw/zinc/01/08/74/244010874.db2.gz	JYJUJYZICSQAOA-SCRDCRAPSA-N	-1	3	329.356	0.728	50	0		ECAAHM
O=C([O-])[C@H]1c2nc[nH]c2CCN1Cc1cnc(N2CCOCC2)nc1	ZINC000072421271	304212263	/nfs/dbraw/zinc/21/22/63/304212263.db2.gz	YOTXMLBYYPVAIK-CQSZACIVSA-N	-1	3	344.375	0.220	50	0		ECAAHM
Cc1ccc(N2CCN(C)[C@@]3(C2)CCC(=O)N(CC(=O)[O-])CC3)nn1	ZINC000091504350	218014823	/nfs/dbraw/zinc/01/48/23/218014823.db2.gz	YRFRQGHFSCBSAR-KRWDZBQOSA-N	-1	3	347.419	0.373	50	0		ECAAHM
Cc1cccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1	ZINC000008780450	211006322	/nfs/dbraw/zinc/00/63/22/211006322.db2.gz	XPTSXODULGYLBI-UHFFFAOYSA-N	-1	3	339.149	0.641	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)C)CC1=O	ZINC000262879275	285254434	/nfs/dbraw/zinc/25/44/34/285254434.db2.gz	LEYWQPZXSKCWGA-GUTXKFCHSA-N	-1	3	339.436	0.545	50	0		ECAAHM
CN1CCN(c2ncccc2C(=O)N2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000244795903	290060073	/nfs/dbraw/zinc/06/00/73/290060073.db2.gz	RPOAASNFGKEQSX-AWEZNQCLSA-N	-1	3	332.404	0.913	50	0		ECAAHM
Cn1nnnc1SCC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000006654123	436003828	/nfs/dbraw/zinc/00/38/28/436003828.db2.gz	FTWOBDAUFPIGBF-UHFFFAOYSA-N	-1	3	327.391	0.557	50	0		ECAAHM
Cc1ccc([O-])c(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1	ZINC000071914171	436031634	/nfs/dbraw/zinc/03/16/34/436031634.db2.gz	QWYRUDOFNJGOAO-CQSZACIVSA-N	-1	3	347.415	0.364	50	0		ECAAHM
Cc1nc([C@H](C)N(C)S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)c(C)s1	ZINC000077353829	436233472	/nfs/dbraw/zinc/23/34/72/436233472.db2.gz	RMNAFDZEDDXHEO-LURJTMIESA-N	-1	3	344.418	0.931	50	0		ECAAHM
CCn1c(N)nc2cc(C(=O)NCc3cc(=O)[n-]c(C)n3)cnc21	ZINC000077485843	436240925	/nfs/dbraw/zinc/24/09/25/436240925.db2.gz	SUUXWEDEZGVPIZ-UHFFFAOYSA-N	-1	3	327.348	0.355	50	0		ECAAHM
CS(=O)(=O)N1C[C@H](C(=O)Nc2ncccc2[O-])Oc2ccccc21	ZINC000040553346	436267106	/nfs/dbraw/zinc/26/71/06/436267106.db2.gz	NFTHRUUDQYSOGT-CYBMUJFWSA-N	-1	3	349.368	0.953	50	0		ECAAHM
COc1cccc(OC[C@@H](O)CNc2nc3c(c(=O)[n-]2)CCNC3)c1	ZINC000082125232	436361558	/nfs/dbraw/zinc/36/15/58/436361558.db2.gz	DUFAPACPDRAFPU-NSHDSACASA-N	-1	3	346.387	0.688	50	0		ECAAHM
Cc1nc(CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)nc2c1CCCC2	ZINC000091643709	436457148	/nfs/dbraw/zinc/45/71/48/436457148.db2.gz	BSGPIFGBOHWUOZ-GFCCVEGCSA-N	-1	3	331.376	0.268	50	0		ECAAHM
Cc1ccc([C@@H](CNC(=O)c2cnc(C)[n-]c2=O)N2CCOCC2)o1	ZINC000091792761	436460772	/nfs/dbraw/zinc/46/07/72/436460772.db2.gz	CLKNQKJBKIQWIC-CQSZACIVSA-N	-1	3	346.387	0.783	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC(Nc2ccccn2)CC1	ZINC000091781458	436460989	/nfs/dbraw/zinc/46/09/89/436460989.db2.gz	PMWCLJZTLZDVLQ-GFCCVEGCSA-N	-1	3	331.376	0.473	50	0		ECAAHM
Cc1ncc(C(=O)NCC[C@@H]2CCCCN2S(C)(=O)=O)c(=O)[n-]1	ZINC000096138875	436515322	/nfs/dbraw/zinc/51/53/22/436515322.db2.gz	UMYLDVAGXXACSN-NSHDSACASA-N	-1	3	342.421	0.012	50	0		ECAAHM
Cc1ccccc1C[C@H](CNC(=O)C(C)S(C)(=O)=O)C(=O)[O-]	ZINC000095970679	436501433	/nfs/dbraw/zinc/50/14/33/436501433.db2.gz	RMHJPMIXKYQQRW-WCQYABFASA-N	-1	3	327.402	0.788	50	0		ECAAHM
O=C1C[C@@H](Nc2c[nH]c(=O)[n-]c2=O)C(=O)N1c1ccccc1Cl	ZINC000102728963	436551607	/nfs/dbraw/zinc/55/16/07/436551607.db2.gz	SFMROWKOKHBCCK-MRVPVSSYSA-N	-1	3	334.719	0.461	50	0		ECAAHM
CC(C)(NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1nn[n-]n1	ZINC000530859888	302032123	/nfs/dbraw/zinc/03/21/23/302032123.db2.gz	ULNIEJFRKAAPCT-CYBMUJFWSA-N	-1	3	329.408	0.858	50	0		ECAAHM
CC(C)(NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1nnn[n-]1	ZINC000530859888	302032124	/nfs/dbraw/zinc/03/21/24/302032124.db2.gz	ULNIEJFRKAAPCT-CYBMUJFWSA-N	-1	3	329.408	0.858	50	0		ECAAHM
Nc1nc(N2CCN(CCOCc3ccccc3)CC2)cc(=O)[n-]1	ZINC000065382710	436655214	/nfs/dbraw/zinc/65/52/14/436655214.db2.gz	IDEJHGBNIBVMOV-UHFFFAOYSA-N	-1	3	329.404	0.691	50	0		ECAAHM
CCc1nc(C)c(CC(=O)N[C@H](C(=O)NC)c2ccccc2)c(=O)[n-]1	ZINC000219920827	436698060	/nfs/dbraw/zinc/69/80/60/436698060.db2.gz	RQEQRTDKPWMCBM-INIZCTEOSA-N	-1	3	342.399	0.787	50	0		ECAAHM
CC(=O)c1c(C)nn(CC(=O)NCCc2nc(N)cc(=O)[n-]2)c1C	ZINC000220341689	436698685	/nfs/dbraw/zinc/69/86/85/436698685.db2.gz	PHUGZJDJKFXEGN-UHFFFAOYSA-N	-1	3	332.364	0.139	50	0		ECAAHM
CC(=O)c1c(C)nn(CCC(=O)NCCc2nc(C)cc(=O)[n-]2)c1C	ZINC000220607321	436699959	/nfs/dbraw/zinc/69/99/59/436699959.db2.gz	PEQDMFOWJKZDLR-UHFFFAOYSA-N	-1	3	345.403	0.843	50	0		ECAAHM
Cc1nnc([C@H](C)NC(=O)C[N-]S(=O)(=O)c2cccs2)[nH]1	ZINC000220693889	436701351	/nfs/dbraw/zinc/70/13/51/436701351.db2.gz	WYHWPBGFIAPQLL-ZETCQYMHSA-N	-1	3	329.407	0.330	50	0		ECAAHM
Cn1ccnc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1=O	ZINC000269754781	436668341	/nfs/dbraw/zinc/66/83/41/436668341.db2.gz	BTJYPFUYUVVUDD-UHFFFAOYSA-N	-1	3	348.837	0.886	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)NCC2CCC(C)CC2)cn1C	ZINC000065585073	436668392	/nfs/dbraw/zinc/66/83/92/436668392.db2.gz	HFZPEKWGSQJRHC-UHFFFAOYSA-N	-1	3	342.465	0.949	50	0		ECAAHM
CN(C)c1nc([C@H]2C[C@@H](Nc3cncc(C(N)=O)n3)C2)cc(=O)[n-]1	ZINC000240163604	436758415	/nfs/dbraw/zinc/75/84/15/436758415.db2.gz	JCFUXEWJPJTOHE-DTORHVGOSA-N	-1	3	329.364	0.495	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]C[C@@H](O)c2ccc3c(c2)OCCO3)c1	ZINC000244909735	436760909	/nfs/dbraw/zinc/76/09/09/436760909.db2.gz	ATDXIUVAPUSCJF-LLVKDONJSA-N	-1	3	339.373	0.203	50	0		ECAAHM
CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)N)CC1)C(=O)[O-]	ZINC000248088340	436800514	/nfs/dbraw/zinc/80/05/14/436800514.db2.gz	UJDJYHZDBPMRGT-AAVRWANBSA-N	-1	3	341.452	0.872	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)COC(=O)C[C@@H]1CCS(=O)(=O)C1	ZINC000253390083	436839234	/nfs/dbraw/zinc/83/92/34/436839234.db2.gz	IPZXEYNGLUYZFJ-NSHDSACASA-N	-1	3	343.405	0.022	50	0		ECAAHM
CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000293025295	436844486	/nfs/dbraw/zinc/84/44/86/436844486.db2.gz	KUAWYWIGEAFSTO-LURJTMIESA-N	-1	3	332.769	0.679	50	0		ECAAHM
Cc1ccc(Cn2ccccc2=NC(=O)CN2CC(=O)[N-]C2=O)cc1	ZINC000252474667	436831326	/nfs/dbraw/zinc/83/13/26/436831326.db2.gz	JQRMBFULKCKHMK-UHFFFAOYSA-N	-1	3	338.367	0.824	50	0		ECAAHM
O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000279397034	437403593	/nfs/dbraw/zinc/40/35/93/437403593.db2.gz	GNLNJGLVDFUPDS-KRWDZBQOSA-N	-1	3	329.356	0.365	50	0		ECAAHM
COCCN1C[C@H](C(=O)NCc2nnc(C(F)(F)F)[n-]2)CCC1=O	ZINC000426728359	438073192	/nfs/dbraw/zinc/07/31/92/438073192.db2.gz	ZQSSDHIILFJTQG-MRVPVSSYSA-N	-1	3	349.313	0.325	50	0		ECAAHM
COCCN1C[C@H](C(=O)NCc2n[n-]c(C(F)(F)F)n2)CCC1=O	ZINC000426728359	438073196	/nfs/dbraw/zinc/07/31/96/438073196.db2.gz	ZQSSDHIILFJTQG-MRVPVSSYSA-N	-1	3	349.313	0.325	50	0		ECAAHM
COCCN1C[C@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCC1=O	ZINC000426728359	438073200	/nfs/dbraw/zinc/07/32/00/438073200.db2.gz	ZQSSDHIILFJTQG-MRVPVSSYSA-N	-1	3	349.313	0.325	50	0		ECAAHM
C[N-]S(=O)(=O)c1cc(S(=O)(=O)NC)cc(Cl)c1Cl	ZINC000071767080	545679541	/nfs/dbraw/zinc/67/95/41/545679541.db2.gz	RJQMQIOSPNMZPC-UHFFFAOYSA-N	-1	3	333.218	0.810	50	0		ECAAHM
CN1CCN(C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1C(=O)[O-]	ZINC000244708198	545934210	/nfs/dbraw/zinc/93/42/10/545934210.db2.gz	KPJDALXZXXTYGS-INIZCTEOSA-N	-1	3	331.416	0.992	50	0		ECAAHM
COCCN1CCC[C@H](C[N-]S(=O)(=O)c2cn(C)c(C)n2)C1	ZINC000670434681	548009951	/nfs/dbraw/zinc/00/99/51/548009951.db2.gz	QZUDMYLFTBDOLP-CYBMUJFWSA-N	-1	3	330.454	0.365	50	0		ECAAHM
Cn1ccnc1SCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000004625773	210233668	/nfs/dbraw/zinc/23/36/68/210233668.db2.gz	REDCRTDYVDORCT-UHFFFAOYSA-N	-1	3	331.357	0.681	50	0		ECAAHM
Cn1ccnc1SCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000004625773	210233673	/nfs/dbraw/zinc/23/36/73/210233673.db2.gz	REDCRTDYVDORCT-UHFFFAOYSA-N	-1	3	331.357	0.681	50	0		ECAAHM
N[C@@]1(C(=O)[O-])CCN(Cc2cccn2S(=O)(=O)c2ccccc2)C1	ZINC000067654400	215175007	/nfs/dbraw/zinc/17/50/07/215175007.db2.gz	YQXSBILOJIAFHO-INIZCTEOSA-N	-1	3	349.412	0.713	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]C[C@H]2CCN(Cc3ccccn3)C2)cn1C	ZINC000067840518	215225393	/nfs/dbraw/zinc/22/53/93/215225393.db2.gz	QEPPPUFJMHIZDS-CQSZACIVSA-N	-1	3	349.460	0.924	50	0		ECAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)c1c[nH]c(=O)c(Cl)c1)C2	ZINC000072159377	216049248	/nfs/dbraw/zinc/04/92/48/216049248.db2.gz	IQSFGLLUASIYFJ-UHFFFAOYSA-N	-1	3	349.778	0.376	50	0		ECAAHM
COc1cccc2c1OC[C@@H](C(=O)N1CCc3c(nc[n-]c3=O)C1)C2	ZINC000072165968	216055281	/nfs/dbraw/zinc/05/52/81/216055281.db2.gz	YFAMKZUJXAQDSB-LBPRGKRZSA-N	-1	3	341.367	0.915	50	0		ECAAHM
O=c1[n-]c(CC2CC2)nc2c1CCN(Cc1cc3n(n1)CCNC3)C2	ZINC000072174204	216064873	/nfs/dbraw/zinc/06/48/73/216064873.db2.gz	RIFSFJFAUFUCIY-UHFFFAOYSA-N	-1	3	340.431	0.580	50	0		ECAAHM
CC(=O)NCc1cc(=O)[n-]c([C@@H]2CN(Cc3ccccc3)CCO2)n1	ZINC000023311373	212368330	/nfs/dbraw/zinc/36/83/30/212368330.db2.gz	BEDXHWPLRYOVLG-INIZCTEOSA-N	-1	3	342.399	0.980	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCN2c2nccs2)c1	ZINC000206784017	241052179	/nfs/dbraw/zinc/05/21/79/241052179.db2.gz	ILNPSOZNSUAICI-JTQLQIEISA-N	-1	3	327.435	0.824	50	0		ECAAHM
Cn1nc(CNC(=O)C[C@H]2NC(=O)[N-]C2=O)c2c1cccc2Cl	ZINC000215578137	241134902	/nfs/dbraw/zinc/13/49/02/241134902.db2.gz	CEPXYBJBNDAHHS-MRVPVSSYSA-N	-1	3	335.751	0.441	50	0		ECAAHM
COc1cc(CNC(=O)[N-]c2nnnn2-c2ccccn2)ccn1	ZINC000225851106	242062946	/nfs/dbraw/zinc/06/29/46/242062946.db2.gz	WRORLQKGPAEIRG-UHFFFAOYSA-N	-1	3	326.320	0.783	50	0		ECAAHM
Nc1nc(N2CCC(NC(=O)CCc3cccnc3)CC2)cc(=O)[n-]1	ZINC000253536114	244011889	/nfs/dbraw/zinc/01/18/89/244011889.db2.gz	AFUOXXXQEFUYBY-UHFFFAOYSA-N	-1	3	342.403	0.877	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCCN(c2ccc(F)cc2)CC1	ZINC000092028225	218106294	/nfs/dbraw/zinc/10/62/94/218106294.db2.gz	MIIWHSVEDOLBEM-AWEZNQCLSA-N	-1	3	348.378	0.853	50	0		ECAAHM
CC1(C)SC[C@@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)NC1=O	ZINC000299778496	258088521	/nfs/dbraw/zinc/08/85/21/258088521.db2.gz	JLNCWBBECFXOQF-NSHDSACASA-N	-1	3	346.416	0.493	50	0		ECAAHM
CC1(C)SC[C@@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)NC1=O	ZINC000299778496	258088523	/nfs/dbraw/zinc/08/85/23/258088523.db2.gz	JLNCWBBECFXOQF-NSHDSACASA-N	-1	3	346.416	0.493	50	0		ECAAHM
COc1cccc(NC(=O)C[C@@H](CN2CCN(C)CC2)C(=O)[O-])c1	ZINC000061721763	295306781	/nfs/dbraw/zinc/30/67/81/295306781.db2.gz	SVOBIQRHLPFPRW-ZDUSSCGKSA-N	-1	3	335.404	0.972	50	0		ECAAHM
CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000001709608	435961752	/nfs/dbraw/zinc/96/17/52/435961752.db2.gz	KEVYYIMVELOXCT-UONOGXRCSA-N	-1	3	335.404	0.288	50	0		ECAAHM
CSc1ccccc1NC(=O)COC(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000002638135	435967567	/nfs/dbraw/zinc/96/75/67/435967567.db2.gz	MGIUXMNQMOGJQW-UHFFFAOYSA-N	-1	3	335.341	0.581	50	0		ECAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]CC1(O)CCOCC1	ZINC000070638968	435988540	/nfs/dbraw/zinc/98/85/40/435988540.db2.gz	ANMSBOKHYRNCCL-UHFFFAOYSA-N	-1	3	335.403	0.355	50	0		ECAAHM
Cc1cc([N-]C(=O)[C@H](C)N2CCN(Cc3nc(C)no3)CC2)on1	ZINC000069595193	435951665	/nfs/dbraw/zinc/95/16/65/435951665.db2.gz	STOMGRYTCJALOR-NSHDSACASA-N	-1	3	334.380	0.819	50	0		ECAAHM
CC(C)(C)OC(=O)N1CCN(Cc2oc(CO)cc(=O)c2[O-])CC1	ZINC000071279234	436007384	/nfs/dbraw/zinc/00/73/84/436007384.db2.gz	UZKMNWDGJXIEKW-UHFFFAOYSA-N	-1	3	340.376	0.890	50	0		ECAAHM
CCN(CC)C(=O)CSc1nc2c(cnn2CCO)c(=O)[n-]1	ZINC000007417941	436013907	/nfs/dbraw/zinc/01/39/07/436013907.db2.gz	RDVNBLQKGKSCQZ-UHFFFAOYSA-N	-1	3	325.394	0.072	50	0		ECAAHM
COc1ccc(C[C@@H]2CCCN2C(=O)C[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000071821336	436014072	/nfs/dbraw/zinc/01/40/72/436014072.db2.gz	UENVEISCRODITQ-GXTWGEPZSA-N	-1	3	331.372	0.827	50	0		ECAAHM
Cc1nc(C)c(CC(=O)Nc2ccc(N3CCOCC3)nc2)c(=O)[n-]1	ZINC000031258423	436227187	/nfs/dbraw/zinc/22/71/87/436227187.db2.gz	XJWIVOBHIYAOMX-UHFFFAOYSA-N	-1	3	343.387	0.800	50	0		ECAAHM
CNC(=O)c1cccc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)c1	ZINC000031287561	436227739	/nfs/dbraw/zinc/22/77/39/436227739.db2.gz	MLVGFQFUXKPKRZ-UHFFFAOYSA-N	-1	3	328.372	0.605	50	0		ECAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCC(F)(F)F	ZINC000031618065	436231116	/nfs/dbraw/zinc/23/11/16/436231116.db2.gz	VVGSTKBYYRRDIR-UHFFFAOYSA-N	-1	3	339.295	0.636	50	0		ECAAHM
Cc1nc([C@H]2CCCN(C(=O)C(C)(C)N3CCOCC3)C2)cc(=O)[n-]1	ZINC000082141149	436363317	/nfs/dbraw/zinc/36/33/17/436363317.db2.gz	VCGYSBNOZJWMHU-AWEZNQCLSA-N	-1	3	348.447	0.895	50	0		ECAAHM
CN1CCC(Oc2ccc(NC(=O)NCc3nnn[n-]3)cc2)CC1	ZINC000095517521	436497742	/nfs/dbraw/zinc/49/77/42/436497742.db2.gz	ZPFZIZMEJHTHST-UHFFFAOYSA-N	-1	3	331.380	0.994	50	0		ECAAHM
CN1CCC(Oc2ccc(NC(=O)NCc3nn[n-]n3)cc2)CC1	ZINC000095517521	436497746	/nfs/dbraw/zinc/49/77/46/436497746.db2.gz	ZPFZIZMEJHTHST-UHFFFAOYSA-N	-1	3	331.380	0.994	50	0		ECAAHM
CN(C)C(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000058278820	436623694	/nfs/dbraw/zinc/62/36/94/436623694.db2.gz	CNPPJGGYMHMPDS-UHFFFAOYSA-N	-1	3	339.186	0.955	50	0		ECAAHM
CCN1C[C@H](CN(C)Cc2cc(=O)[n-]c(=O)[nH]2)Oc2ccccc21	ZINC000058226101	436621385	/nfs/dbraw/zinc/62/13/85/436621385.db2.gz	MNSRETMMEMVXEE-ZDUSSCGKSA-N	-1	3	330.388	0.783	50	0		ECAAHM
COCC1(C(=O)NCCn2[n-]c(=O)c3ccccc3c2=O)CCC1	ZINC000065427463	436659866	/nfs/dbraw/zinc/65/98/66/436659866.db2.gz	ANLVMJFOOHHFNN-UHFFFAOYSA-N	-1	3	331.372	0.623	50	0		ECAAHM
Cc1cc(C)nc(S[C@@H](C)C(=O)NCc2c[nH]c(=O)[n-]c2=O)n1	ZINC000221360701	436700407	/nfs/dbraw/zinc/70/04/07/436700407.db2.gz	UAGZASIEAMNPPX-VIFPVBQESA-N	-1	3	335.389	0.267	50	0		ECAAHM
Cn1cc(C(=O)NCc2coc(-c3ccccc3)n2)c(=O)[n-]c1=O	ZINC000221272746	436701177	/nfs/dbraw/zinc/70/11/77/436701177.db2.gz	XCFGUZAXLPQEPQ-UHFFFAOYSA-N	-1	3	326.312	0.659	50	0		ECAAHM
O=C(c1ccc2n[n-]nc2c1)N1CCN(CCn2cncn2)CC1	ZINC000221273896	436701640	/nfs/dbraw/zinc/70/16/40/436701640.db2.gz	IWUCHJHIKHYYMR-UHFFFAOYSA-N	-1	3	326.364	0.007	50	0		ECAAHM
CC(=O)OCCCS(=O)(=O)[N-][C@@H]1CS(=O)(=O)c2ccccc21	ZINC000225659764	436713142	/nfs/dbraw/zinc/71/31/42/436713142.db2.gz	OKOGMJOXWSLZOG-GFCCVEGCSA-N	-1	3	347.414	0.388	50	0		ECAAHM
Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCN[C@@H](C)C1	ZINC000237731415	436743174	/nfs/dbraw/zinc/74/31/74/436743174.db2.gz	YKIXXMYHDGYJMM-LBPRGKRZSA-N	-1	3	341.415	0.893	50	0		ECAAHM
CCOc1ccccc1S(=O)(=O)N1CC(n2c([O-])coc2=O)C1	ZINC000244970169	436761130	/nfs/dbraw/zinc/76/11/30/436761130.db2.gz	HMWUBJQWNHZFEO-UHFFFAOYSA-N	-1	3	340.357	0.437	50	0		ECAAHM
CN1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)[C@@H](c2ccccc2)C1	ZINC000249241982	436817909	/nfs/dbraw/zinc/81/79/09/436817909.db2.gz	QYBKROAEQMUHRF-UONOGXRCSA-N	-1	3	330.388	0.490	50	0		ECAAHM
C[C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1nc[nH]n1	ZINC000329419436	437364845	/nfs/dbraw/zinc/36/48/45/437364845.db2.gz	DZCGNJIMKBGGSB-ZETCQYMHSA-N	-1	3	339.352	0.868	50	0		ECAAHM
NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl	ZINC000408522140	438582938	/nfs/dbraw/zinc/58/29/38/438582938.db2.gz	DSWJJPDUKLMHKN-SECBINFHSA-N	-1	3	347.824	0.833	50	0		ECAAHM
COC[C@](C)(C[N-]S(=O)(=O)c1ccsc1C(=O)OC)OC	ZINC000575611965	438752278	/nfs/dbraw/zinc/75/22/78/438752278.db2.gz	JDLASKIEOHNCNG-LBPRGKRZSA-N	-1	3	337.419	0.865	50	0		ECAAHM
COCC[N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12	ZINC000583651614	439495494	/nfs/dbraw/zinc/49/54/94/439495494.db2.gz	PPEWINVFPZHISD-UHFFFAOYSA-N	-1	3	349.210	0.725	50	0		ECAAHM
O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccccc1-c1nnn[n-]1	ZINC000534651797	439532495	/nfs/dbraw/zinc/53/24/95/439532495.db2.gz	UFKQDLYSPOVYNL-KBPBESRZSA-N	-1	3	328.376	0.460	50	0		ECAAHM
O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccccc1-c1nn[n-]n1	ZINC000534651797	439532500	/nfs/dbraw/zinc/53/25/00/439532500.db2.gz	UFKQDLYSPOVYNL-KBPBESRZSA-N	-1	3	328.376	0.460	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]Cc2cncc(N3CCCC3=O)c2)cn1C	ZINC000585150420	439636070	/nfs/dbraw/zinc/63/60/70/439636070.db2.gz	XGVHHKKOXSVQLR-UHFFFAOYSA-N	-1	3	349.416	0.729	50	0		ECAAHM
Cc1nc2c(c(=O)[n-]1)CN(C1CCN(C(=O)[C@H]3CCCO3)CC1)C2	ZINC000584887803	439625019	/nfs/dbraw/zinc/62/50/19/439625019.db2.gz	FRLYKOOXLQUBOJ-OAHLLOKOSA-N	-1	3	332.404	0.976	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]C[C@H]2CCCN2c2ncccn2)cn1C	ZINC000618256233	440090505	/nfs/dbraw/zinc/09/05/05/440090505.db2.gz	FMSGXJKKRMPHFW-GFCCVEGCSA-N	-1	3	336.421	0.466	50	0		ECAAHM
CCc1nc(S(=O)(=O)[N-]c2nccc(=O)n2C)cn1CC1CC1	ZINC000663298350	440051673	/nfs/dbraw/zinc/05/16/73/440051673.db2.gz	KWPRCVVRPVMNHC-UHFFFAOYSA-N	-1	3	337.405	0.750	50	0		ECAAHM
Cc1cccc(F)c1S(=O)(=O)[N-]CCN1CCCS1(=O)=O	ZINC000184275067	534740010	/nfs/dbraw/zinc/74/00/10/534740010.db2.gz	VVCOMQJHZKDNQO-UHFFFAOYSA-N	-1	3	336.410	0.448	50	0		ECAAHM
COc1cccc2c1OCC(CN1CCN(CC(=O)[O-])C[C@H](O)C1)=C2	ZINC000097679895	219046729	/nfs/dbraw/zinc/04/67/29/219046729.db2.gz	ZBDNXVMBCBPSTC-OAHLLOKOSA-N	-1	3	348.399	0.534	50	0		ECAAHM
O=C([O-])[C@H]1CNCCN(C(=O)CCc2nc(-c3ccncc3)no2)C1	ZINC000097759371	219056075	/nfs/dbraw/zinc/05/60/75/219056075.db2.gz	WXGHDLKVQBRVCZ-LBPRGKRZSA-N	-1	3	345.359	0.197	50	0		ECAAHM
COCC(=O)N1CCC([N-]S(=O)(=O)c2cc(F)cc(F)c2)CC1	ZINC000036390920	213094127	/nfs/dbraw/zinc/09/41/27/213094127.db2.gz	AXKRCZMANPLPIT-UHFFFAOYSA-N	-1	3	348.371	0.881	50	0		ECAAHM
Cc1nc(C)c(CC(=O)NCCc2noc([C@H]3CCCO3)n2)c(=O)[n-]1	ZINC000215012209	241102153	/nfs/dbraw/zinc/10/21/53/241102153.db2.gz	WSDAAUOCXKPKGU-GFCCVEGCSA-N	-1	3	347.375	0.523	50	0		ECAAHM
CCn1c(CCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)nc2ccccc21	ZINC000215068126	241106479	/nfs/dbraw/zinc/10/64/79/241106479.db2.gz	HXSJEPCHCFJUNL-NSHDSACASA-N	-1	3	329.360	0.313	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCCN2c2nccs2)c1	ZINC000206784061	241051546	/nfs/dbraw/zinc/05/15/46/241051546.db2.gz	ILNPSOZNSUAICI-SNVBAGLBSA-N	-1	3	327.435	0.824	50	0		ECAAHM
O=S(=O)(NCc1nnc2ccccn21)c1ccc2nn[n-]c2c1	ZINC000225832993	242055919	/nfs/dbraw/zinc/05/59/19/242055919.db2.gz	HFRJFDKLTIXAMY-UHFFFAOYSA-N	-1	3	329.345	0.479	50	0		ECAAHM
O=S(=O)(NCc1nnc2ccccn21)c1ccc2[n-]nnc2c1	ZINC000225832993	242055925	/nfs/dbraw/zinc/05/59/25/242055925.db2.gz	HFRJFDKLTIXAMY-UHFFFAOYSA-N	-1	3	329.345	0.479	50	0		ECAAHM
O=S(=O)(NCc1nnc2ccccn21)c1ccc2n[n-]nc2c1	ZINC000225832993	242055929	/nfs/dbraw/zinc/05/59/29/242055929.db2.gz	HFRJFDKLTIXAMY-UHFFFAOYSA-N	-1	3	329.345	0.479	50	0		ECAAHM
O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cc(=O)[n-]c(=O)[nH]1	ZINC000253534764	244005606	/nfs/dbraw/zinc/00/56/06/244005606.db2.gz	ASFOBTQTUDPXDF-YUSALJHKSA-N	-1	3	330.344	0.395	50	0		ECAAHM
Nc1nc(N2CCN(C[C@@H]3COc4ccccc4O3)CC2)cc(=O)[n-]1	ZINC000253536486	244012876	/nfs/dbraw/zinc/01/28/76/244012876.db2.gz	GQWAWLLQROAACE-GFCCVEGCSA-N	-1	3	343.387	0.726	50	0		ECAAHM
Cc1cccc(NC(=O)CN2CCN(c3cc(=O)[n-]c(N)n3)CC2)c1	ZINC000253537116	244015562	/nfs/dbraw/zinc/01/55/62/244015562.db2.gz	YFWKFGHRFSYUHY-UHFFFAOYSA-N	-1	3	342.403	0.834	50	0		ECAAHM
CCCN1C(=O)N[C@H](CC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)C1=O	ZINC000253537343	244016970	/nfs/dbraw/zinc/01/69/70/244016970.db2.gz	PCHWELBXJPYLCQ-SNVBAGLBSA-N	-1	3	333.348	0.053	50	0		ECAAHM
C[C@@H](Oc1ccccc1Br)C(=O)NN1CC(=O)[N-]C1=O	ZINC000079028346	217178112	/nfs/dbraw/zinc/17/81/12/217178112.db2.gz	AEPVUCMAPCBGHH-SSDOTTSWSA-N	-1	3	342.149	0.799	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1coc(-c2ccccc2)n1	ZINC000091997244	218100283	/nfs/dbraw/zinc/10/02/83/218100283.db2.gz	RPEOWZNKUYHPIC-LBPRGKRZSA-N	-1	3	328.328	0.946	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1noc(Cc2cccs2)n1	ZINC000091997302	218101151	/nfs/dbraw/zinc/10/11/51/218101151.db2.gz	CTXDZWPFAXNLSO-SECBINFHSA-N	-1	3	349.372	0.326	50	0		ECAAHM
NS(=O)(=O)C[C@@H]1CCN(C(=O)c2[n-]c(=O)nc3ccccc32)C1	ZINC000299778007	258088019	/nfs/dbraw/zinc/08/80/19/258088019.db2.gz	CZKBIEPTVIVRMH-SECBINFHSA-N	-1	3	336.373	0.086	50	0		ECAAHM
CCn1nc(CO)c2c1CCN(C(=O)c1ccc3n[n-]nc3c1)C2	ZINC000299791804	258097624	/nfs/dbraw/zinc/09/76/24/258097624.db2.gz	FUDIGCGOTVMUEJ-UHFFFAOYSA-N	-1	3	326.360	0.865	50	0		ECAAHM
Cc1cc2ncc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)c(=O)n2[n-]1	ZINC000102370931	291999258	/nfs/dbraw/zinc/99/92/58/291999258.db2.gz	PZQDCTYSRWDALL-ZDUSSCGKSA-N	-1	3	347.419	0.514	50	0		ECAAHM
COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)[C@H](CO)SC	ZINC000341008528	297586553	/nfs/dbraw/zinc/58/65/53/297586553.db2.gz	BVZCFYKEEZZRDP-BQBZGAKWSA-N	-1	3	340.448	0.320	50	0		ECAAHM
Cn1c([O-])c(C(=O)C[C@H]2NCCc3ccccc32)c(=O)n(C)c1=O	ZINC000020028339	294165771	/nfs/dbraw/zinc/16/57/71/294165771.db2.gz	XOMMDQBMIZAHLS-GFCCVEGCSA-N	-1	3	329.356	0.249	50	0		ECAAHM
CS(=O)(=O)N1CCC[C@H](C(=O)N2NC=C[C@@]2([O-])C(F)(F)F)C1	ZINC000006519925	436000538	/nfs/dbraw/zinc/00/05/38/436000538.db2.gz	PLFJVOHFGLTJOV-WCBMZHEXSA-N	-1	3	343.327	0.127	50	0		ECAAHM
Cc1ccccc1N1CCN(C(=O)Cc2c[nH]c(=O)[n-]c2=O)[C@H](C)C1	ZINC000071776919	436009678	/nfs/dbraw/zinc/00/96/78/436009678.db2.gz	YVVVOLNFUFAEBQ-CYBMUJFWSA-N	-1	3	342.399	0.651	50	0		ECAAHM
CCOC([O-])=NC(=O)COC(=O)CCn1c(=O)oc2ccccc21	ZINC000007621442	436014295	/nfs/dbraw/zinc/01/42/95/436014295.db2.gz	MOIHWDDRWUZLNQ-UHFFFAOYSA-N	-1	3	336.300	0.801	50	0		ECAAHM
CCOC(=O)[N-]C(=O)COC(=O)CCn1c2ccccc2oc1=O	ZINC000007621442	436014299	/nfs/dbraw/zinc/01/42/99/436014299.db2.gz	MOIHWDDRWUZLNQ-UHFFFAOYSA-N	-1	3	336.300	0.801	50	0		ECAAHM
C[C@@H](C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O)N1CCc2ccccc2C1	ZINC000072290751	436042732	/nfs/dbraw/zinc/04/27/32/436042732.db2.gz	AFBKMQQKKQIQTL-KPZWWZAWSA-N	-1	3	342.399	0.244	50	0		ECAAHM
Cc1cccc(N2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2)c1C	ZINC000013069627	436060358	/nfs/dbraw/zinc/06/03/58/436060358.db2.gz	WKVMFFNIDAJAON-AWEZNQCLSA-N	-1	3	344.415	0.940	50	0		ECAAHM
Cc1nnc2ccc(OCC[N-]S(=O)(=O)c3cccs3)nn12	ZINC000013846186	436066518	/nfs/dbraw/zinc/06/65/18/436066518.db2.gz	SWXZJCKAONBPOT-UHFFFAOYSA-N	-1	3	339.402	0.852	50	0		ECAAHM
COc1ccc([C@@H](CNC=C2C(=O)[N-]C(=S)NC2=O)N(C)C)cc1	ZINC000025436521	436153760	/nfs/dbraw/zinc/15/37/60/436153760.db2.gz	HGQAMAPWRJDTCU-CYBMUJFWSA-N	-1	3	348.428	0.302	50	0		ECAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](C)COC)cc(C(C)C)nc21	ZINC000032060310	436234734	/nfs/dbraw/zinc/23/47/34/436234734.db2.gz	QSYSIECFVLUXCS-SNVBAGLBSA-N	-1	3	348.403	0.993	50	0		ECAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CCC[C@@H](OCc2cccnc2)C1	ZINC000077390042	436236561	/nfs/dbraw/zinc/23/65/61/436236561.db2.gz	NACGMRVZRUFOMU-GFCCVEGCSA-N	-1	3	330.344	0.280	50	0		ECAAHM
Cc1cccc(N2CCN(C(=O)C[C@H]3NC(=O)[N-]C3=O)CC2)c1C	ZINC000030635253	436220751	/nfs/dbraw/zinc/22/07/51/436220751.db2.gz	JKABNMSKAMUSJU-CYBMUJFWSA-N	-1	3	330.388	0.550	50	0		ECAAHM
CN(Cc1cnn(-c2ccccc2)c1)C(=O)C[C@H]1NC(=O)[N-]C1=O	ZINC000042816307	436318632	/nfs/dbraw/zinc/31/86/32/436318632.db2.gz	AADPKNBBMCWDMF-CYBMUJFWSA-N	-1	3	327.344	0.429	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCC(OCc2ccccc2)CC1	ZINC000042848731	436318762	/nfs/dbraw/zinc/31/87/62/436318762.db2.gz	HULKNCBBKVOZKA-CQSZACIVSA-N	-1	3	331.372	0.792	50	0		ECAAHM
COc1ccc(OC)c([C@H]2CCCN2C(=O)C[C@H]2NC(=O)[N-]C2=O)c1	ZINC000042853077	436321445	/nfs/dbraw/zinc/32/14/45/436321445.db2.gz	WVDIOXAXQRGVFI-CHWSQXEVSA-N	-1	3	347.371	0.965	50	0		ECAAHM
O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ncccc1[O-]	ZINC000084576895	436382480	/nfs/dbraw/zinc/38/24/80/436382480.db2.gz	DUASICUIKBPJQF-UHFFFAOYSA-N	-1	3	332.341	0.464	50	0		ECAAHM
O=C([O-])[C@@H]1CC(=O)NC12CCN(Cc1ccccc1OCCO)CC2	ZINC000091364832	436451016	/nfs/dbraw/zinc/45/10/16/436451016.db2.gz	MDWCPENXYGSUHI-AWEZNQCLSA-N	-1	3	348.399	0.613	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccc3c(c2)OCO3)c1	ZINC000096025783	436504412	/nfs/dbraw/zinc/50/44/12/436504412.db2.gz	PWTKZKPYFXBLGY-CQSZACIVSA-N	-1	3	339.373	0.335	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2cccc(C)n2)cn1C	ZINC000058266084	436622797	/nfs/dbraw/zinc/62/27/97/436622797.db2.gz	BWSJFJDNSUHXLG-UHFFFAOYSA-N	-1	3	337.405	0.739	50	0		ECAAHM
Cc1cc(NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)n[nH]1	ZINC000058326770	436623928	/nfs/dbraw/zinc/62/39/28/436623928.db2.gz	VRBZVUSRTRYVTC-UHFFFAOYSA-N	-1	3	326.382	0.067	50	0		ECAAHM
CCc1cc(NCCc2nc(C)cc(=O)[n-]2)nc(N2CCOCC2)n1	ZINC000065374126	436655271	/nfs/dbraw/zinc/65/52/71/436655271.db2.gz	POKWLZWQLCUOBA-UHFFFAOYSA-N	-1	3	344.419	0.922	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCOc1cccc2cccnc21	ZINC000219696460	436696759	/nfs/dbraw/zinc/69/67/59/436696759.db2.gz	JVIMXAJIUIZWIO-LBPRGKRZSA-N	-1	3	342.355	0.718	50	0		ECAAHM
C[C@H]1CNCCN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000126433170	436787641	/nfs/dbraw/zinc/78/76/41/436787641.db2.gz	FGRDKBYTZGSZEF-NSHDSACASA-N	-1	3	328.372	0.491	50	0		ECAAHM
CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1=O	ZINC000175718047	437115036	/nfs/dbraw/zinc/11/50/36/437115036.db2.gz	ZCHJWXYXFWLMHR-SNVBAGLBSA-N	-1	3	332.328	0.779	50	0		ECAAHM
CC[C@@H](NC(=O)CCn1cc(C(N)=O)c(=O)[n-]c1=O)c1ccccc1	ZINC000585121248	439633217	/nfs/dbraw/zinc/63/32/17/439633217.db2.gz	JTAANSUAKSSBHI-CYBMUJFWSA-N	-1	3	344.371	0.705	50	0		ECAAHM
O=C(c1cnc(C2CC2)[n-]c1=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1	ZINC000584899232	439626110	/nfs/dbraw/zinc/62/61/10/439626110.db2.gz	RRBNNGDRUGSVFB-KBPBESRZSA-N	-1	3	332.404	0.731	50	0		ECAAHM
Cc1cc(C)n2nc(CC(=O)NCCc3cc(=O)[n-]c(C)n3)nc2n1	ZINC000222492968	545923276	/nfs/dbraw/zinc/92/32/76/545923276.db2.gz	LYRZQCHLANXOCM-UHFFFAOYSA-N	-1	3	341.375	0.447	50	0		ECAAHM
CCc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)N1S(=O)(=O)N(C)C	ZINC000675011226	741324726	/nfs/dbraw/zinc/32/47/26/741324726.db2.gz	QXIBBSLBMIQWAY-ZJUUUORDSA-N	-1	3	326.422	0.483	50	0		ECAAHM
Cc1nccn1-c1ccccc1CNC(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000067851495	215231990	/nfs/dbraw/zinc/23/19/90/215231990.db2.gz	VOQHWEBAOVCYSL-UHFFFAOYSA-N	-1	3	325.328	0.487	50	0		ECAAHM
O=C([C@H]1CCCO1)N1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1	ZINC000040460070	213306778	/nfs/dbraw/zinc/30/67/78/213306778.db2.gz	MFZGDFAPOXATCA-GFCCVEGCSA-N	-1	3	348.428	0.808	50	0		ECAAHM
CCCc1cc(C(=O)N2CCc3c(=O)[n-]c(N(C)C)nc3C2)[nH]n1	ZINC000072128390	216018878	/nfs/dbraw/zinc/01/88/78/216018878.db2.gz	OAPSEIPPVDTJHS-UHFFFAOYSA-N	-1	3	330.392	0.710	50	0		ECAAHM
CCCc1cc(C(=O)N2CCc3c(=O)[n-]c(N(C)C)nc3C2)n[nH]1	ZINC000072128390	216018881	/nfs/dbraw/zinc/01/88/81/216018881.db2.gz	OAPSEIPPVDTJHS-UHFFFAOYSA-N	-1	3	330.392	0.710	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(OCc2ccccn2)CC1	ZINC000215001121	241098856	/nfs/dbraw/zinc/09/88/56/241098856.db2.gz	OFTYSMHMOXEWLE-ZDUSSCGKSA-N	-1	3	332.360	0.187	50	0		ECAAHM
Cn1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)c(=O)[n-]c1=O	ZINC000216039718	241159311	/nfs/dbraw/zinc/15/93/11/241159311.db2.gz	UTQKZYLXLQJPKX-UHFFFAOYSA-N	-1	3	339.355	0.232	50	0		ECAAHM
Cn1c(=O)c([O-])c(C(=O)NCc2ccc(F)cc2)nc1C(C)(C)N	ZINC000021299550	212219754	/nfs/dbraw/zinc/21/97/54/212219754.db2.gz	AQLZTHZLYFFVIJ-UHFFFAOYSA-N	-1	3	334.351	0.749	50	0	in-vitro	ECAAHM
O=C(CN1CCOCC1)N[C@H]1C[C@H](c2cc(=O)[n-]c(C3CC3)n2)C1	ZINC000253535102	244006156	/nfs/dbraw/zinc/00/61/56/244006156.db2.gz	CRJXRGNXYXAKMA-JOCQHMNTSA-N	-1	3	332.404	0.754	50	0		ECAAHM
CCOC(=O)C(=O)[N-]n1cnc2c(cnn2-c2ccc(C)cc2)c1=O	ZINC000012313245	211342237	/nfs/dbraw/zinc/34/22/37/211342237.db2.gz	NGWXFZAAGCBCCJ-UHFFFAOYSA-N	-1	3	341.327	0.524	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NC1CCN(c2ccccc2F)CC1	ZINC000091526266	218017911	/nfs/dbraw/zinc/01/79/11/218017911.db2.gz	PKXBVVWVTRKQSM-CYBMUJFWSA-N	-1	3	348.378	0.899	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1csc(-c2cnccn2)n1	ZINC000091915354	218088429	/nfs/dbraw/zinc/08/84/29/218088429.db2.gz	YOYDMPGUPBKPMD-VIFPVBQESA-N	-1	3	346.372	0.205	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CC(OCc2ccccc2F)C1	ZINC000091908148	218086630	/nfs/dbraw/zinc/08/66/30/218086630.db2.gz	KCKUCUYJNVIRPC-ZDUSSCGKSA-N	-1	3	335.335	0.541	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCCN(Cc2ccccn2)CC1	ZINC000091966120	218095541	/nfs/dbraw/zinc/09/55/41/218095541.db2.gz	IAFSPRQDTLDNSZ-CQSZACIVSA-N	-1	3	345.403	0.104	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCCN(Cc2ccccn2)CC1	ZINC000091966122	218096089	/nfs/dbraw/zinc/09/60/89/218096089.db2.gz	IAFSPRQDTLDNSZ-AWEZNQCLSA-N	-1	3	345.403	0.104	50	0		ECAAHM
Cc1nc(CN2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)no1	ZINC000112294771	220288955	/nfs/dbraw/zinc/28/89/55/220288955.db2.gz	FSVHHNCQKXAYIH-UHFFFAOYSA-N	-1	3	327.348	0.607	50	0		ECAAHM
COc1ccsc1S(=O)(=O)[N-]C[C@@H](O)CN1CCCCC1	ZINC000158930634	533101728	/nfs/dbraw/zinc/10/17/28/533101728.db2.gz	XAKPVDPBMRNPPV-LLVKDONJSA-N	-1	3	334.463	0.882	50	0		ECAAHM
CCN1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCC(=O)[O-])CC1=O	ZINC000299750565	258007639	/nfs/dbraw/zinc/00/76/39/258007639.db2.gz	NWPNOZUUTMFIMD-STQMWFEESA-N	-1	3	325.409	0.252	50	0		ECAAHM
CO[C@]12CCN(Cc3c[nH]nc3C(=O)[O-])[C@H]1C[C@H](OCCO)CC2	ZINC000299769049	258082936	/nfs/dbraw/zinc/08/29/36/258082936.db2.gz	LWBFWJLQADLLGB-DVOMOZLQSA-N	-1	3	339.392	0.629	50	0		ECAAHM
COCCn1ccnc1CN1C[C@H](CC(=O)[O-])[C@H](c2c[nH]nn2)C1	ZINC000299776924	258086965	/nfs/dbraw/zinc/08/69/65/258086965.db2.gz	FPZHSPZOKLINIL-NWDGAFQWSA-N	-1	3	334.380	0.338	50	0		ECAAHM
Nc1cc(=O)[n-]c(CCNC(=O)[C@@H]2CCCCN2C(=O)C2CC2)n1	ZINC000299758182	258076173	/nfs/dbraw/zinc/07/61/73/258076173.db2.gz	OTRFXPUFPHROLI-NSHDSACASA-N	-1	3	333.392	0.214	50	0		ECAAHM
Nc1cc(=O)[n-]c(CCNC(=O)[C@H]2CCCCN2C(=O)C2CC2)n1	ZINC000299758181	258076222	/nfs/dbraw/zinc/07/62/22/258076222.db2.gz	OTRFXPUFPHROLI-LLVKDONJSA-N	-1	3	333.392	0.214	50	0		ECAAHM
CN(C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCc1cc(=O)[n-]o1)C2	ZINC000220503872	289189292	/nfs/dbraw/zinc/18/92/92/289189292.db2.gz	UXSLWXINFFKZIF-CQSZACIVSA-N	-1	3	349.391	0.147	50	0		ECAAHM
CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2ccccc2F)CC1	ZINC000012924424	436056529	/nfs/dbraw/zinc/05/65/29/436056529.db2.gz	APQFOLIGMQHKIU-UHFFFAOYSA-N	-1	3	336.410	0.528	50	0		ECAAHM
CN1CCN2c3cccc(Cl)c3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1	ZINC000016956934	436097056	/nfs/dbraw/zinc/09/70/56/436097056.db2.gz	ZFHZERRVJZGGFR-LBPRGKRZSA-N	-1	3	348.790	0.369	50	0		ECAAHM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)CC)C(=O)[O-]	ZINC000039831817	436263473	/nfs/dbraw/zinc/26/34/73/436263473.db2.gz	JNTMAZFVYNDPLB-ZSLBOAEBSA-N	-1	3	341.452	0.966	50	0		ECAAHM
CCn1nc2c(cc1=O)CN([C@@H](C)C(=O)[N-]c1cc(C)no1)CC2	ZINC000078614663	436272708	/nfs/dbraw/zinc/27/27/08/436272708.db2.gz	DKJQSYYBJTXQLY-NSHDSACASA-N	-1	3	331.376	0.945	50	0		ECAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC1CCCCC1	ZINC000044874884	436350476	/nfs/dbraw/zinc/35/04/76/436350476.db2.gz	DHQFEGYZKIPCGX-UHFFFAOYSA-N	-1	3	344.209	0.996	50	0		ECAAHM
CC[C@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1N1CCOCC1	ZINC000089948594	436423913	/nfs/dbraw/zinc/42/39/13/436423913.db2.gz	FFJJQNCULMPJJS-HOCLYGCPSA-N	-1	3	348.447	0.498	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(CNCc2c(C)nn(C)c2OC)s1	ZINC000058393380	436624701	/nfs/dbraw/zinc/62/47/01/436624701.db2.gz	GWHPTWDWROTZRZ-UHFFFAOYSA-N	-1	3	344.462	0.997	50	0		ECAAHM
CC(C)=CCO[C@H]1CCOC[C@H]1[N-]S(=O)(=O)N1CCOCC1	ZINC000223316085	436704041	/nfs/dbraw/zinc/70/40/41/436704041.db2.gz	NROFRAYJZDZKFF-KGLIPLIRSA-N	-1	3	334.438	0.293	50	0		ECAAHM
CO[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000225656581	436713969	/nfs/dbraw/zinc/71/39/69/436713969.db2.gz	CFGYWOWXNPUIOI-MRVPVSSYSA-N	-1	3	338.788	0.909	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@H](C)C2)cn1C	ZINC000065606568	436668981	/nfs/dbraw/zinc/66/89/81/436668981.db2.gz	DRMDYYPDNWTTTJ-NSHDSACASA-N	-1	3	328.438	0.655	50	0		ECAAHM
CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1	ZINC000236905202	436718705	/nfs/dbraw/zinc/71/87/05/436718705.db2.gz	XQEJIPLFCWWGCF-NSHDSACASA-N	-1	3	329.422	0.828	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCN(C[C@@H](C)O)[C@H](CC)C1	ZINC000252504997	436835636	/nfs/dbraw/zinc/83/56/36/436835636.db2.gz	HPGWGIGEDIPEDL-HUUCEWRRSA-N	-1	3	337.468	0.431	50	0		ECAAHM
O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)C1(n2cnnn2)CCCCC1	ZINC000409413219	438583935	/nfs/dbraw/zinc/58/39/35/438583935.db2.gz	FJYHQIKCLWIYLP-UHFFFAOYSA-N	-1	3	340.343	0.855	50	0		ECAAHM
CN1CC=C2C(C#N)=C(N)[C@](C#N)(C(=O)[O-])[C@@H](c3cccnc3)[C@@H]2C1	ZINC000075252261	545688832	/nfs/dbraw/zinc/68/88/32/545688832.db2.gz	CUHCMHSJVFTXHA-RVKKMQEKSA-N	-1	3	335.367	0.998	50	0		ECAAHM
CN(Cc1nc2c(cnn2C)c(=O)[n-]1)C[C@H]1COc2ccccc2O1	ZINC000054418059	214237480	/nfs/dbraw/zinc/23/74/80/214237480.db2.gz	ORGKWLBNXAOFQW-NSHDSACASA-N	-1	3	341.371	0.928	50	0		ECAAHM
CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000003303249	210001768	/nfs/dbraw/zinc/00/17/68/210001768.db2.gz	KARBQPAUYIEGGD-UHFFFAOYSA-N	-1	3	345.355	0.984	50	0		ECAAHM
O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)c1c[nH]c(=O)[n-]c1=O	ZINC000067852075	215232272	/nfs/dbraw/zinc/23/22/72/215232272.db2.gz	BPLLSYNOIINZAQ-NSHDSACASA-N	-1	3	332.360	0.298	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CCN2CCN(c3ccccc3)CC2)c1	ZINC000069097212	215359704	/nfs/dbraw/zinc/35/97/04/215359704.db2.gz	JNXHTYCGQGWGJP-UHFFFAOYSA-N	-1	3	349.460	0.521	50	0		ECAAHM
Nc1nc2c(c(=O)[n-]1)CCN(C(=O)COCC(F)(F)C(F)F)C2	ZINC000072146559	216033931	/nfs/dbraw/zinc/03/39/31/216033931.db2.gz	ASOXDTQQLRAQEZ-UHFFFAOYSA-N	-1	3	338.261	0.154	50	0		ECAAHM
O=C(N[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1c[nH]c(=O)[n-]c1=O	ZINC000072156539	216046152	/nfs/dbraw/zinc/04/61/52/216046152.db2.gz	RKXYTAZKFZGUOX-SNVBAGLBSA-N	-1	3	334.376	0.117	50	0		ECAAHM
CS(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)nc2sccn21	ZINC000037750733	213164279	/nfs/dbraw/zinc/16/42/79/213164279.db2.gz	GXMNNRRPVQYKHZ-UHFFFAOYSA-N	-1	3	343.839	0.372	50	0		ECAAHM
Cc1cccc(CN2CCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)CC2)c1	ZINC000072453846	216241011	/nfs/dbraw/zinc/24/10/11/216241011.db2.gz	MJKWKHSOXRTPHD-UHFFFAOYSA-N	-1	3	328.372	0.742	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CCNC(=O)c2ccc(F)c(F)c2)c1	ZINC000206633271	241047528	/nfs/dbraw/zinc/04/75/28/241047528.db2.gz	YSUVIZRDHSAFNC-UHFFFAOYSA-N	-1	3	344.343	0.407	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)NCc1csc(Cc2ccccc2)n1	ZINC000215910242	241154631	/nfs/dbraw/zinc/15/46/31/241154631.db2.gz	VZRBXXFNUHOJML-GFCCVEGCSA-N	-1	3	344.396	0.948	50	0		ECAAHM
CS(=O)(=O)NCCc1ccc(C(=O)[N-]c2nncs2)s1	ZINC000021215292	212216321	/nfs/dbraw/zinc/21/63/21/212216321.db2.gz	JXVOMZBQDTXODR-UHFFFAOYSA-N	-1	3	332.432	0.944	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCCc1noc(-c2ccccc2)n1	ZINC000091694128	218049036	/nfs/dbraw/zinc/04/90/36/218049036.db2.gz	CCMYGDWDICLOLR-LLVKDONJSA-N	-1	3	343.343	0.384	50	0		ECAAHM
CCn1c(CCNC(=O)CC[C@H]2NC(=O)[N-]C2=O)nc2ccccc21	ZINC000091625374	218034866	/nfs/dbraw/zinc/03/48/66/218034866.db2.gz	IWSJYDVBVYUXTN-GFCCVEGCSA-N	-1	3	343.387	0.703	50	0		ECAAHM
COc1cccc2c1OC[C@H](C[N-]S(=O)(=O)c1cn(C)cn1)C2	ZINC000095377296	218310092	/nfs/dbraw/zinc/31/00/92/218310092.db2.gz	DAXGPEMZQQETOV-NSHDSACASA-N	-1	3	337.401	0.958	50	0		ECAAHM
CCOC(C[N-]S(=O)(=O)CCNC(=O)c1ccccc1)OCC	ZINC000004940897	210331875	/nfs/dbraw/zinc/33/18/75/210331875.db2.gz	NJEUADICAPSYLQ-UHFFFAOYSA-N	-1	3	344.433	0.735	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H]2C(=O)[O-])CC1=O	ZINC000262692474	285254563	/nfs/dbraw/zinc/25/45/63/285254563.db2.gz	GRXLBYMBDBBBCD-MJBXVCDLSA-N	-1	3	337.420	0.395	50	0		ECAAHM
CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC[C@@H]2C(=O)[O-])CC1=O	ZINC000262692467	285284371	/nfs/dbraw/zinc/28/43/71/285284371.db2.gz	GRXLBYMBDBBBCD-HZSPNIEDSA-N	-1	3	337.420	0.395	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](CO)c3ccccc32)cn1	ZINC000293958032	257936040	/nfs/dbraw/zinc/93/60/40/257936040.db2.gz	QTCDQOLFJFGSGN-LBPRGKRZSA-N	-1	3	347.396	0.726	50	0		ECAAHM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(Cc2ccccc2)S(C)(=O)=O)C1	ZINC000299745770	258008306	/nfs/dbraw/zinc/00/83/06/258008306.db2.gz	SHAWSLMCGZZZSW-XJKSGUPXSA-N	-1	3	339.413	0.966	50	0		ECAAHM
Cc1[n-][nH]c(=O)c1CC(=O)N1CCN(C2Cc3ccccc3C2)CC1	ZINC000299776154	258086487	/nfs/dbraw/zinc/08/64/87/258086487.db2.gz	KLDDTSLPPQNDDY-UHFFFAOYSA-N	-1	3	340.427	0.866	50	0		ECAAHM
O=C(Cc1ccccc1)N1CCN(c2nc3nncc-3c(O)[n-]2)CC1	ZINC000225578018	258072705	/nfs/dbraw/zinc/07/27/05/258072705.db2.gz	LKPJCNBXHKSSLE-UHFFFAOYSA-N	-1	3	338.371	0.538	50	0		ECAAHM
COc1ccc(NC(=O)C[C@H](CN2CCN(C)CC2)C(=O)[O-])cc1	ZINC000071280335	295157914	/nfs/dbraw/zinc/15/79/14/295157914.db2.gz	YTXXRDUMYFSBKF-CYBMUJFWSA-N	-1	3	335.404	0.972	50	0		ECAAHM
NS(=O)(=O)c1ccc(CC[N-]S(=O)(=O)c2cccs2)cc1	ZINC000002865838	435971829	/nfs/dbraw/zinc/97/18/29/435971829.db2.gz	GZVULUWLNYNYPV-UHFFFAOYSA-N	-1	3	346.455	0.917	50	0		ECAAHM
CC[C@@H](C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C(=O)OC	ZINC000069622135	435951266	/nfs/dbraw/zinc/95/12/66/435951266.db2.gz	DLMYCVQHSSMVJS-BXKDBHETSA-N	-1	3	348.446	0.730	50	0		ECAAHM
O=C(CSc1nnc2c(=O)[n-]c(=O)[nH]n12)c1ccc(Cl)cc1	ZINC000000388800	435952414	/nfs/dbraw/zinc/95/24/14/435952414.db2.gz	MBVFTKAOZVJQMH-UHFFFAOYSA-N	-1	3	337.748	0.734	50	0		ECAAHM
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)[N-]C3=NCCS3)C2=O)cc1	ZINC000007038876	436009144	/nfs/dbraw/zinc/00/91/44/436009144.db2.gz	LQZDOINPKJZNMT-INIZCTEOSA-N	-1	3	346.412	0.981	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@H](c2ccc(Cl)cc2)C1	ZINC000071821376	436013902	/nfs/dbraw/zinc/01/39/02/436013902.db2.gz	ZHOTWABKJBJYMQ-RYUDHWBXSA-N	-1	3	337.763	0.838	50	0		ECAAHM
COc1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)c([O-])c1	ZINC000071847175	436018846	/nfs/dbraw/zinc/01/88/46/436018846.db2.gz	ZDJKMBXVTTUHKL-UHFFFAOYSA-N	-1	3	342.417	0.203	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N2CCN(Cc3ccco3)CC2)c(=O)[n-]1	ZINC000042357993	436301746	/nfs/dbraw/zinc/30/17/46/436301746.db2.gz	CPLLYPHLJUNNLO-UHFFFAOYSA-N	-1	3	330.388	0.867	50	0		ECAAHM
COc1cccc(OC[C@H](O)CNc2nc3c(c(=O)[n-]2)CCNC3)c1	ZINC000082125229	436361000	/nfs/dbraw/zinc/36/10/00/436361000.db2.gz	DUFAPACPDRAFPU-LLVKDONJSA-N	-1	3	346.387	0.688	50	0		ECAAHM
CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CCCC1	ZINC000048251550	436446799	/nfs/dbraw/zinc/44/67/99/436446799.db2.gz	YZGSVLFZGPYLRS-UHFFFAOYSA-N	-1	3	330.182	0.700	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CCn2ccc(-c3ccccn3)n2)c1	ZINC000096098949	436512247	/nfs/dbraw/zinc/51/22/47/436512247.db2.gz	GRYPRCZSPUZJLL-UHFFFAOYSA-N	-1	3	332.389	0.657	50	0		ECAAHM
CC(C)CN1C[C@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1=O	ZINC000065374204	436655312	/nfs/dbraw/zinc/65/53/12/436655312.db2.gz	GPYQSBIALQMSMU-CQSZACIVSA-N	-1	3	342.403	0.987	50	0		ECAAHM
CC(C)CN1C[C@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1=O	ZINC000065374204	436655315	/nfs/dbraw/zinc/65/53/15/436655315.db2.gz	GPYQSBIALQMSMU-CQSZACIVSA-N	-1	3	342.403	0.987	50	0		ECAAHM
CC(C)C1=NO[C@H](C(=O)N2CCc3nc(N(C)C)[n-]c(=O)c3CC2)C1	ZINC000065371619	436655753	/nfs/dbraw/zinc/65/57/53/436655753.db2.gz	QMHUYICAXLZCKZ-AWEZNQCLSA-N	-1	3	347.419	0.564	50	0		ECAAHM
CNC(=O)c1ccc(CN(C)Cc2nc3c(cnn3C)c(=O)[n-]2)cc1	ZINC000065415556	436659295	/nfs/dbraw/zinc/65/92/95/436659295.db2.gz	RHWKBNDESSYZDU-UHFFFAOYSA-N	-1	3	340.387	0.648	50	0		ECAAHM
O=C(Cc1cnc[n-]c1=O)N[C@@H]1COCC[C@H]1OCc1ccccn1	ZINC000219731608	436697819	/nfs/dbraw/zinc/69/78/19/436697819.db2.gz	JSDFZNSDTDNHGO-HUUCEWRRSA-N	-1	3	344.371	0.198	50	0		ECAAHM
O=C([C@H]1COc2ccccc2O1)N1CC[C@H](n2c([O-])coc2=O)C1	ZINC000225699621	436712874	/nfs/dbraw/zinc/71/28/74/436712874.db2.gz	GVMDPQZIMNVQPO-GXFFZTMASA-N	-1	3	332.312	0.406	50	0		ECAAHM
COc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)c(OC)c1	ZINC000065465434	436663319	/nfs/dbraw/zinc/66/33/19/436663319.db2.gz	VPXYQNKLDCJXAB-STQMWFEESA-N	-1	3	347.371	0.965	50	0		ECAAHM
COCc1nc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)n[n-]1	ZINC000252540575	436838254	/nfs/dbraw/zinc/83/82/54/436838254.db2.gz	PNGFUVZQWBPHPX-SNVBAGLBSA-N	-1	3	344.331	0.680	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](CO)c3ccccc32)cn1	ZINC000293958028	436923991	/nfs/dbraw/zinc/92/39/91/436923991.db2.gz	QTCDQOLFJFGSGN-GFCCVEGCSA-N	-1	3	347.396	0.726	50	0		ECAAHM
C[C@@H]1c2ccccc2CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000176470896	437145096	/nfs/dbraw/zinc/14/50/96/437145096.db2.gz	OBTSHPUNMQFAFX-GFCCVEGCSA-N	-1	3	348.428	0.844	50	0		ECAAHM
Cn1cc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)c(=O)[n-]c1=O	ZINC000291106415	437558376	/nfs/dbraw/zinc/55/83/76/437558376.db2.gz	IIWGYXKITONBAZ-LLVKDONJSA-N	-1	3	346.362	0.881	50	0		ECAAHM
COc1ccccc1CCNC(=O)NCCNc1nc(C)cc(=O)[n-]1	ZINC000426373874	438053695	/nfs/dbraw/zinc/05/36/95/438053695.db2.gz	WCIIVZPUZNNSJP-UHFFFAOYSA-N	-1	3	345.403	1.453	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)NCc2noc(C(C)C)n2)n1	ZINC000426435386	438058468	/nfs/dbraw/zinc/05/84/68/438058468.db2.gz	JSJKHIGKAXEDJT-UHFFFAOYSA-N	-1	3	335.368	0.908	50	0		ECAAHM
CN(C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CN(C)Cc2ccccc2F)C1	ZINC000426574931	438068881	/nfs/dbraw/zinc/06/88/81/438068881.db2.gz	AQVMICHYRRZLCX-HIFRSBDPSA-N	-1	3	337.395	0.873	50	0		ECAAHM
COc1ccc(C(=O)NCCn2c([O-])coc2=O)c(OC)c1OC	ZINC000575616938	438751977	/nfs/dbraw/zinc/75/19/77/438751977.db2.gz	RDRJUDPJWXCZDI-UHFFFAOYSA-N	-1	3	338.316	0.421	50	0		ECAAHM
CC(C)Cn1[n-]ccc1=NC(=O)CN1CCO[C@@H](Cn2cccn2)C1	ZINC000588085732	438817307	/nfs/dbraw/zinc/81/73/07/438817307.db2.gz	OSSSBNPMKXFVNX-OAHLLOKOSA-N	-1	3	346.435	0.497	50	0		ECAAHM
CCCCN(C)S(=O)(=O)[N-][C@@H](c1cnn(C)c1)c1noc(C)n1	ZINC000585114550	439632340	/nfs/dbraw/zinc/63/23/40/439632340.db2.gz	JAUJCKNLVVPGMQ-LBPRGKRZSA-N	-1	3	342.425	0.767	50	0		ECAAHM
Cc1cc(C)cc(N(C)C(=O)CCn2cc(C(N)=O)c(=O)[n-]c2=O)c1	ZINC000585140865	439634013	/nfs/dbraw/zinc/63/40/13/439634013.db2.gz	LWKZEDAGMGYOKF-UHFFFAOYSA-N	-1	3	344.371	0.718	50	0		ECAAHM
CCc1nc(C)c(CC(=O)NC2CCS(=O)(=O)CC2)c(=O)[n-]1	ZINC000584885672	439624264	/nfs/dbraw/zinc/62/42/64/439624264.db2.gz	UVYYQUQHIKJARC-UHFFFAOYSA-N	-1	3	327.406	0.289	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCn2c(nnc2C2CC2)C1	ZINC000617390988	439879256	/nfs/dbraw/zinc/87/92/56/439879256.db2.gz	DLRYYTTWERQYBL-UHFFFAOYSA-N	-1	3	329.408	0.638	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2nccc(C)n2)cn1	ZINC000585088023	578132650	/nfs/dbraw/zinc/13/26/50/578132650.db2.gz	HJOOCQJOFAFUPM-JTQLQIEISA-N	-1	3	335.389	0.579	50	0		ECAAHM
COCCN(CCOC)C1CN(C(=O)c2ccc([O-])c(F)c2)C1	ZINC000863947634	590046992	/nfs/dbraw/zinc/04/69/92/590046992.db2.gz	PCHKXMIEUSFQTA-UHFFFAOYSA-N	-1	3	326.368	0.951	50	0		ECAAHM
CCOC([O-])=NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000003377046	210022548	/nfs/dbraw/zinc/02/25/48/210022548.db2.gz	YWKZTXBPDROINI-SNVBAGLBSA-N	-1	3	338.316	0.444	50	0		ECAAHM
CCOC(=O)[N-]C(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000003377046	210022551	/nfs/dbraw/zinc/02/25/51/210022551.db2.gz	YWKZTXBPDROINI-SNVBAGLBSA-N	-1	3	338.316	0.444	50	0		ECAAHM
O=C([C@H]1CCC(=O)N1)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1	ZINC000072126572	216018338	/nfs/dbraw/zinc/01/83/38/216018338.db2.gz	VDIBXWVQVJNJDU-CYBMUJFWSA-N	-1	3	338.367	0.600	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@@H](Nc2cccc(F)c2)C1	ZINC000072139149	216026522	/nfs/dbraw/zinc/02/65/22/216026522.db2.gz	OKOHHFPHVARBQF-CYBMUJFWSA-N	-1	3	334.351	0.780	50	0		ECAAHM
Cc1nc(C)c(CCC(=O)Nc2ccc(-n3cncn3)nc2)c(=O)[n-]1	ZINC000023056368	212345772	/nfs/dbraw/zinc/34/57/72/212345772.db2.gz	GXKUDNCYKKYDHQ-UHFFFAOYSA-N	-1	3	339.359	0.934	50	0		ECAAHM
CCc1nc(C)c(CC(=O)NCCc2nc(C3CC3)no2)c(=O)[n-]1	ZINC000215749135	241143258	/nfs/dbraw/zinc/14/32/58/241143258.db2.gz	UAMFDGTVUXWNDE-UHFFFAOYSA-N	-1	3	331.376	0.803	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)NCCc1csc(-c2ccncc2)n1	ZINC000215855710	241151535	/nfs/dbraw/zinc/15/15/35/241151535.db2.gz	JUILIFOOEHJWOJ-LLVKDONJSA-N	-1	3	345.384	0.462	50	0		ECAAHM
Cc1nc(CCNC(=O)c2cn(C)c(=O)[n-]c2=O)nc2c1CCCC2	ZINC000216159910	241169720	/nfs/dbraw/zinc/16/97/20/241169720.db2.gz	JNWXEZXDRHPXCB-UHFFFAOYSA-N	-1	3	343.387	0.023	50	0		ECAAHM
Cc1nc(-c2ccc(CNC(=O)C[C@H]3NC(=O)[N-]C3=O)cc2)no1	ZINC000216363745	241187088	/nfs/dbraw/zinc/18/70/88/241187088.db2.gz	RLYYOAYWAQXALB-LLVKDONJSA-N	-1	3	329.316	0.259	50	0		ECAAHM
Cn1cc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c(=O)[n-]c1=O	ZINC000216387356	241189321	/nfs/dbraw/zinc/18/93/21/241189321.db2.gz	OPAXFUBLNLRHIS-AWEZNQCLSA-N	-1	3	339.355	0.441	50	0		ECAAHM
C[C@H](C(=O)NC1CCCC1)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000253537165	244015097	/nfs/dbraw/zinc/01/50/97/244015097.db2.gz	ZZKAHPNMMAFPBJ-LLVKDONJSA-N	-1	3	334.424	0.334	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)NCCc1ccccc1C(F)(F)F	ZINC000019732525	212058118	/nfs/dbraw/zinc/05/81/18/212058118.db2.gz	QUQRBCIQXYVZHI-UHFFFAOYSA-N	-1	3	329.278	0.916	50	0		ECAAHM
CN(Cc1nc(-c2ccncc2)no1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000091807305	218068515	/nfs/dbraw/zinc/06/85/15/218068515.db2.gz	KHDKPQFUDBXJNR-JTQLQIEISA-N	-1	3	344.331	0.078	50	0		ECAAHM
O=C([O-])[C@H]1CC(=O)NC12CCN(Cc1cccc(OCCO)c1)CC2	ZINC000091756139	218060361	/nfs/dbraw/zinc/06/03/61/218060361.db2.gz	HQDIWJPIVMNTFR-OAHLLOKOSA-N	-1	3	348.399	0.613	50	0		ECAAHM
CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(Cc1cccnc1N)CC2	ZINC000092028947	218107127	/nfs/dbraw/zinc/10/71/27/218107127.db2.gz	ADCAIJKKYWJEJT-AWEZNQCLSA-N	-1	3	332.404	0.951	50	0		ECAAHM
O=C([O-])[C@H]1CC(=O)NC12CCN(c1cc(N3CCCC3)cnn1)CC2	ZINC000095381003	218313368	/nfs/dbraw/zinc/31/33/68/218313368.db2.gz	NUFIRKFNSWABAJ-CYBMUJFWSA-N	-1	3	345.403	0.637	50	0		ECAAHM
CC(C)n1nccc1NC(=O)[C@H](C)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000095407435	218343739	/nfs/dbraw/zinc/34/37/39/218343739.db2.gz	ICRFJOWOMHETLN-QWRGUYRKSA-N	-1	3	334.380	0.027	50	0		ECAAHM
Cc1nonc1CN1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1	ZINC000299772475	258084945	/nfs/dbraw/zinc/08/49/45/258084945.db2.gz	YZNMTYKLVCPDNJ-UHFFFAOYSA-N	-1	3	327.348	0.607	50	0		ECAAHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CCN1C[C@@H](C)O[C@@H](C)C1)C2	ZINC000299799157	258103233	/nfs/dbraw/zinc/10/32/33/258103233.db2.gz	PTXZKVYQFAXBQI-TXEJJXNPSA-N	-1	3	334.420	0.875	50	0		ECAAHM
COCC(C)(C)[N-]S(=O)(=O)[C@H]1CS(=O)(=O)c2ccccc21	ZINC000065592848	292203433	/nfs/dbraw/zinc/20/34/33/292203433.db2.gz	CSUFWZUAQSVAHA-LBPRGKRZSA-N	-1	3	333.431	0.859	50	0		ECAAHM
COc1ccc2c(c1)[C@@]1(SC([N-]C(C)=O)=NN1C(C)=O)C(=O)N2C	ZINC000000527194	286425468	/nfs/dbraw/zinc/42/54/68/286425468.db2.gz	QXOSOOWNZWNZSZ-OAHLLOKOSA-N	-1	3	348.384	0.827	50	0		ECAAHM
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccnc2ccnn21	ZINC000122929208	222183740	/nfs/dbraw/zinc/18/37/40/222183740.db2.gz	NMCZGHPGXVXGCF-NSHDSACASA-N	-1	3	325.394	0.632	50	0		ECAAHM
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)[C@]1([O-])C(F)(F)F	ZINC000004751679	435980410	/nfs/dbraw/zinc/98/04/10/435980410.db2.gz	FDUAZTXCKBNRLW-GFCCVEGCSA-N	-1	3	327.218	0.228	50	0		ECAAHM
COCCC[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2	ZINC000006873977	436005066	/nfs/dbraw/zinc/00/50/66/436005066.db2.gz	POAGOMZTKIBRCI-UHFFFAOYSA-N	-1	3	334.781	0.986	50	0		ECAAHM
CC(C)[C@H]1CCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000071829991	436017010	/nfs/dbraw/zinc/01/70/10/436017010.db2.gz	AYFYEANDXHIWAT-SNVBAGLBSA-N	-1	3	344.209	0.946	50	0		ECAAHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)Nc1ccccc1	ZINC000015881203	436086319	/nfs/dbraw/zinc/08/63/19/436086319.db2.gz	WZXGBLZAGDEDOC-UHFFFAOYSA-N	-1	3	345.384	0.843	50	0		ECAAHM
CN(C)CCN1CC2(CCN(C(=O)c3ncccc3[O-])CC2)OC1=O	ZINC000077459593	436238825	/nfs/dbraw/zinc/23/88/25/436238825.db2.gz	LJNITARPXPCBAQ-UHFFFAOYSA-N	-1	3	348.403	0.776	50	0		ECAAHM
O=C(CCC(=O)N1CCNC(=O)C1)[N-]C1=N[C@H]2CCCC[C@@H]2S1	ZINC000041127892	436269115	/nfs/dbraw/zinc/26/91/15/436269115.db2.gz	IDJJTGZUIFUBCX-QWRGUYRKSA-N	-1	3	338.433	0.255	50	0		ECAAHM
COc1ccnc(N2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)n1	ZINC000047693848	436430016	/nfs/dbraw/zinc/43/00/16/436430016.db2.gz	QKPZNECDLGKIPA-UHFFFAOYSA-N	-1	3	339.359	0.719	50	0		ECAAHM
Cc1c2c(=O)[n-]n(C)c2[nH]c(=O)c1CCC(=O)NCc1ccoc1	ZINC000048365276	436450635	/nfs/dbraw/zinc/45/06/35/436450635.db2.gz	VLYVQKQMJOOWCI-UHFFFAOYSA-N	-1	3	330.344	0.705	50	0		ECAAHM
CC(C)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccccc1-c1nnn[n-]1	ZINC000065404894	436656934	/nfs/dbraw/zinc/65/69/34/436656934.db2.gz	PJLCMVLMSWVPHC-ZDUSSCGKSA-N	-1	3	343.391	0.404	50	0		ECAAHM
CC(C)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccccc1-c1nn[n-]n1	ZINC000065404894	436656935	/nfs/dbraw/zinc/65/69/35/436656935.db2.gz	PJLCMVLMSWVPHC-ZDUSSCGKSA-N	-1	3	343.391	0.404	50	0		ECAAHM
O=S(=O)([N-][C@@H]1CCOC[C@H]1O)c1c(Cl)nc2sccn21	ZINC000219677549	436697751	/nfs/dbraw/zinc/69/77/51/436697751.db2.gz	ZPCQUWICDJTGIL-RNFRBKRXSA-N	-1	3	337.810	0.477	50	0		ECAAHM
CCn1c(CCNC(=O)c2cn(C)c(=O)[n-]c2=O)nc2ccccc21	ZINC000223575881	436706526	/nfs/dbraw/zinc/70/65/26/436706526.db2.gz	YJCBGCVCWGLTRF-UHFFFAOYSA-N	-1	3	341.371	0.416	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCCC(C)C)cn1C	ZINC000065612331	436669315	/nfs/dbraw/zinc/66/93/15/436669315.db2.gz	NYENOITVXROFRQ-UHFFFAOYSA-N	-1	3	330.454	0.949	50	0		ECAAHM
COCCN1CCN(CC(=O)N=c2cc[n-]n2[C@H](C)C2CC2)C[C@@H]1C	ZINC000252475027	436831052	/nfs/dbraw/zinc/83/10/52/436831052.db2.gz	QUNMFISAKYIYQJ-LSDHHAIUSA-N	-1	3	349.479	0.867	50	0		ECAAHM
CN(CC(=O)Nc1cc(F)cc(F)c1)c1nc2nncc-2c(O)[n-]1	ZINC000170604194	436946936	/nfs/dbraw/zinc/94/69/36/436946936.db2.gz	WAHXBUUWDOMCJJ-UHFFFAOYSA-N	-1	3	334.286	0.999	50	0		ECAAHM
CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	ZINC000299741585	437108299	/nfs/dbraw/zinc/10/82/99/437108299.db2.gz	GPQUDSJEQMELLP-GFCCVEGCSA-N	-1	3	325.409	0.252	50	0		ECAAHM
O=C1c2cccnc2C(=O)N1CC[N-]S(=O)(=O)c1ccccc1F	ZINC000390830014	438434031	/nfs/dbraw/zinc/43/40/31/438434031.db2.gz	IDJLZLUUWIGJFX-UHFFFAOYSA-N	-1	3	349.343	0.795	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]Cc2ccnc(N3CCCC3=O)c2)cn1C	ZINC000575606841	438751016	/nfs/dbraw/zinc/75/10/16/438751016.db2.gz	FUBXUVOOYNWONP-UHFFFAOYSA-N	-1	3	349.416	0.729	50	0		ECAAHM
CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cnnn1-c1ccccc1	ZINC000583651522	439495389	/nfs/dbraw/zinc/49/53/89/439495389.db2.gz	NUGCMCQEXYTVBU-ZYHUDNBSSA-N	-1	3	342.446	0.658	50	0		ECAAHM
O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@](O)(CO)CC1	ZINC000534676846	439534868	/nfs/dbraw/zinc/53/48/68/439534868.db2.gz	AZHKCQUCOIHRFE-MRXNPFEDSA-N	-1	3	346.391	0.286	50	0		ECAAHM
O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@](O)(CO)CC1	ZINC000534676846	439534873	/nfs/dbraw/zinc/53/48/73/439534873.db2.gz	AZHKCQUCOIHRFE-MRXNPFEDSA-N	-1	3	346.391	0.286	50	0		ECAAHM
CCO[C@H]1CN(CC)C[C@@H]1NC(=O)N1Cc2nc(C)[n-]c(=O)c2C1	ZINC000584887891	439624529	/nfs/dbraw/zinc/62/45/29/439624529.db2.gz	PQLXHRVABNWYQL-KBPBESRZSA-N	-1	3	335.408	0.625	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCCN2c2ncccn2)cn1C	ZINC000618256235	440090395	/nfs/dbraw/zinc/09/03/95/440090395.db2.gz	FMSGXJKKRMPHFW-LBPRGKRZSA-N	-1	3	336.421	0.466	50	0		ECAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(S(=O)(=O)c1ccccc1)CC2	ZINC000169750645	609646374	/nfs/dbraw/zinc/64/63/74/609646374.db2.gz	MZAFSOOJUDMNSH-UHFFFAOYSA-N	-1	3	348.428	0.625	50	0		ECAAHM
COC(=O)c1n[nH]cc1CN1CCC[C@@H](c2cc(=O)[n-]c(C)n2)C1	ZINC000072170578	610703224	/nfs/dbraw/zinc/70/32/24/610703224.db2.gz	CBVAKYCVJOKLBU-LLVKDONJSA-N	-1	3	331.376	0.968	50	0		ECAAHM
Cc1nc(CCNC(=O)c2cc(-c3cccn3C)n[nH]2)cc(=O)[n-]1	ZINC000023380475	738257703	/nfs/dbraw/zinc/25/77/03/738257703.db2.gz	AVHGDIJNRZQZHJ-UHFFFAOYSA-N	-1	3	326.360	0.779	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCN(CCc2cccs2)CC1	ZINC000056302501	214369324	/nfs/dbraw/zinc/36/93/24/214369324.db2.gz	KMQXBIFHYGSWPN-GFCCVEGCSA-N	-1	3	336.417	0.033	50	0		ECAAHM
Cc1cc(C)n(-c2ccc(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)cn2)n1	ZINC000097915069	219059823	/nfs/dbraw/zinc/05/98/23/219059823.db2.gz	AHWCUBJATNOJBV-LBPRGKRZSA-N	-1	3	342.359	0.098	50	0		ECAAHM
COC(=O)Cc1cc(=O)n2nc(NCc3ccccc3OC)[n-]c2n1	ZINC000101483920	219129074	/nfs/dbraw/zinc/12/90/74/219129074.db2.gz	UOOXIQDTTIHDMG-UHFFFAOYSA-N	-1	3	343.343	0.754	50	0		ECAAHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CN(C)CCO1	ZINC000067833629	215224297	/nfs/dbraw/zinc/22/42/97/215224297.db2.gz	VSAWOIWHFBVWJH-SNVBAGLBSA-N	-1	3	336.845	0.381	50	0		ECAAHM
CN(C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H]1CCCO1)C2	ZINC000067935210	215254766	/nfs/dbraw/zinc/25/47/66/215254766.db2.gz	KBWNSFVHNKYGLU-ZDUSSCGKSA-N	-1	3	336.392	0.207	50	0		ECAAHM
CCN1CCN([C@@H](C)C[N-]S(=O)(=O)c2ncn(C)c2Cl)CC1	ZINC000040527728	213335840	/nfs/dbraw/zinc/33/58/40/213335840.db2.gz	NHKUZUQBZRKBHE-NSHDSACASA-N	-1	3	349.888	0.378	50	0		ECAAHM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCN2CCOCC2)c1	ZINC000069703800	215543618	/nfs/dbraw/zinc/54/36/18/215543618.db2.gz	FYSJMHNEJHWLSN-UHFFFAOYSA-N	-1	3	346.380	0.223	50	0		ECAAHM
CCOC(=O)N[C@@H](C(=O)c1ccccc1)n1cc(F)c(=O)[n-]c1=O	ZINC000035681919	213046484	/nfs/dbraw/zinc/04/64/84/213046484.db2.gz	BBEWXEXVABILJE-GFCCVEGCSA-N	-1	3	335.291	0.803	50	0		ECAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC(C(=O)N2CCCCC2)CC1	ZINC000072438291	216232476	/nfs/dbraw/zinc/23/24/76/216232476.db2.gz	VRGFYNQMGZOUFF-UHFFFAOYSA-N	-1	3	334.376	0.340	50	0		ECAAHM
Cc1ncc(CC(=O)N2CCC(C(=O)N3CCCCC3)CC2)c(=O)[n-]1	ZINC000072458674	216244361	/nfs/dbraw/zinc/24/43/61/216244361.db2.gz	BKEVOFVQSSPTDU-UHFFFAOYSA-N	-1	3	346.431	0.872	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CCNC(=O)c2ccc(Cl)s2)c1	ZINC000206633809	241047107	/nfs/dbraw/zinc/04/71/07/241047107.db2.gz	KKYAALCFCPQDJP-UHFFFAOYSA-N	-1	3	348.837	0.843	50	0		ECAAHM
O=C(NCC[N-]S(=O)(=O)c1cccc2nonc21)c1ccco1	ZINC000012390952	211366239	/nfs/dbraw/zinc/36/62/39/211366239.db2.gz	ZUULEOUJOXENTD-UHFFFAOYSA-N	-1	3	336.329	0.524	50	0		ECAAHM
Cc1cc([N-]C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)on1	ZINC000012262283	211331913	/nfs/dbraw/zinc/33/19/13/211331913.db2.gz	AZDFMTDNKXKQOV-UHFFFAOYSA-N	-1	3	342.311	0.944	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1cccc(N2CCCC2)c1	ZINC000091535889	218019086	/nfs/dbraw/zinc/01/90/86/218019086.db2.gz	JXVPDNBNEPEZDF-AWEZNQCLSA-N	-1	3	330.388	0.891	50	0		ECAAHM
Cc1ccnc(N2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2)c1	ZINC000091693577	218049093	/nfs/dbraw/zinc/04/90/93/218049093.db2.gz	NQHJCNOHWPYNCE-GFCCVEGCSA-N	-1	3	331.376	0.027	50	0		ECAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)N1CCC(O)CC1)CNCC2	ZINC000067872389	304218277	/nfs/dbraw/zinc/21/82/77/304218277.db2.gz	QQZOAFANZFKFEW-UHFFFAOYSA-N	-1	3	346.430	0.237	50	0		ECAAHM
O=C(c1cnc(-c2cccnc2)nc1)N1CCc2nc[n-]c(=O)c2CC1	ZINC000095356773	218290524	/nfs/dbraw/zinc/29/05/24/218290524.db2.gz	UKMYLOYMJIPFBH-UHFFFAOYSA-N	-1	3	348.366	0.863	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H]2C(=O)[O-])CC1=O	ZINC000262692470	285255481	/nfs/dbraw/zinc/25/54/81/285255481.db2.gz	GRXLBYMBDBBBCD-MCIONIFRSA-N	-1	3	337.420	0.395	50	0		ECAAHM
CO[C@]12CCN(Cc3cnc(NCC(=O)[O-])nc3)[C@H]1C[C@@H](O)CC2	ZINC000299778704	258088348	/nfs/dbraw/zinc/08/83/48/258088348.db2.gz	QKJZSXOYDRMYJE-HEHGZKQESA-N	-1	3	336.392	0.477	50	0		ECAAHM
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@]([O-])(C(F)(F)F)C(=O)N3)cc1	ZINC000002504104	280739015	/nfs/dbraw/zinc/73/90/15/280739015.db2.gz	ZVQWOXPMBIKVSS-CYBMUJFWSA-N	-1	3	341.245	0.536	50	0		ECAAHM
O=C([O-])[C@@H](CC(=O)NCc1ccccc1)CN1CCN(CCO)CC1	ZINC000071280517	436007363	/nfs/dbraw/zinc/00/73/63/436007363.db2.gz	IEGSSTGEVURIDG-INIZCTEOSA-N	-1	3	349.431	0.004	50	0		ECAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCCCCC1	ZINC000012792103	436053405	/nfs/dbraw/zinc/05/34/05/436053405.db2.gz	KQUMCMFBNXQYQA-UHFFFAOYSA-N	-1	3	330.182	0.702	50	0		ECAAHM
Cc1ccc(NC(=O)[C@H](C)OC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000012792197	436054217	/nfs/dbraw/zinc/05/42/17/436054217.db2.gz	HNVJPSVHYJQFKP-JQWIXIFHSA-N	-1	3	333.344	0.853	50	0		ECAAHM
Cc1ccn2c(c1)nc([O-])c(C(=O)NCCCN1CCCC1=O)c2=O	ZINC000015943849	436087389	/nfs/dbraw/zinc/08/73/89/436087389.db2.gz	XDTFMWIEZDIFJE-UHFFFAOYSA-N	-1	3	344.371	0.451	50	0		ECAAHM
CCCS(=O)(=O)c1ccc2nc(NC(=O)C(=O)OC)[n-]c2c1	ZINC000075278290	436157919	/nfs/dbraw/zinc/15/79/19/436157919.db2.gz	GLDDRPVTQGZMIR-UHFFFAOYSA-N	-1	3	325.346	0.280	50	0		ECAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NCCOC)cc(C(C)C)nc21	ZINC000032031881	436235439	/nfs/dbraw/zinc/23/54/39/436235439.db2.gz	RBZAPSMMMPDTML-UHFFFAOYSA-N	-1	3	334.376	0.604	50	0		ECAAHM
Cc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)NC(=O)[N-]C2=O	ZINC000032417182	436240240	/nfs/dbraw/zinc/24/02/40/436240240.db2.gz	WRTCXRZRWKBPTB-UHFFFAOYSA-N	-1	3	341.364	0.497	50	0		ECAAHM
Cc1nc(C)c(CC(=O)NCc2cccnc2-n2cccn2)c(=O)[n-]1	ZINC000031388127	436228114	/nfs/dbraw/zinc/22/81/14/436228114.db2.gz	RLWJIFKPPABTCP-UHFFFAOYSA-N	-1	3	338.371	0.826	50	0		ECAAHM
COCCOc1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cn1	ZINC000031413506	436229119	/nfs/dbraw/zinc/22/91/19/436229119.db2.gz	BEFJXZAULGJENB-UHFFFAOYSA-N	-1	3	332.360	0.988	50	0		ECAAHM
O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCC[C@@H]1CN1CCOCC1	ZINC000077322803	436230704	/nfs/dbraw/zinc/23/07/04/436230704.db2.gz	NOYLYSJKEFYWRS-CQSZACIVSA-N	-1	3	346.431	0.974	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(N2CCCC2=O)cc1	ZINC000044873430	436351235	/nfs/dbraw/zinc/35/12/35/436351235.db2.gz	SEIKZQHENFPNBJ-ZDUSSCGKSA-N	-1	3	344.371	0.418	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)NCCc1ccc(OC(F)(F)F)cc1	ZINC000049131170	436465027	/nfs/dbraw/zinc/46/50/27/436465027.db2.gz	NRNKVQWVVCXKDY-SNVBAGLBSA-N	-1	3	345.277	0.842	50	0		ECAAHM
COc1ccc(Cc2noc(C[N-]S(C)(=O)=O)n2)cc1OC	ZINC000096405298	436530298	/nfs/dbraw/zinc/53/02/98/436530298.db2.gz	LJPQOXCQNQLBMU-UHFFFAOYSA-N	-1	3	327.362	0.727	50	0		ECAAHM
CCOC(=O)c1c[n-]n(CC(=O)NCCN2CCCCCC2)c1=N	ZINC000100994465	436547798	/nfs/dbraw/zinc/54/77/98/436547798.db2.gz	GNGAVZFEHSMSCW-UHFFFAOYSA-N	-1	3	337.424	0.465	50	0		ECAAHM
CC[C@H](NC(=O)c1ccc(-n2cnnn2)cc1[O-])c1cnn(C)c1	ZINC000221447330	436700600	/nfs/dbraw/zinc/70/06/00/436700600.db2.gz	CVGRXFPFQDUHCR-ZDUSSCGKSA-N	-1	3	327.348	0.983	50	0		ECAAHM
O=S(=O)([N-][C@@H]1COCC[C@H]1Oc1ccccn1)N1CCCCC1	ZINC000223748510	436708981	/nfs/dbraw/zinc/70/89/81/436708981.db2.gz	UOZIFLZZYDNOOX-ZIAGYGMSSA-N	-1	3	341.433	0.938	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]CCn2cnc3ccsc3c2=O)c1	ZINC000238881180	436755901	/nfs/dbraw/zinc/75/59/01/436755901.db2.gz	PHFUFJLVNGZWMM-UHFFFAOYSA-N	-1	3	339.402	0.170	50	0		ECAAHM
O=C(c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)N1CCOCC1	ZINC000069418997	436772117	/nfs/dbraw/zinc/77/21/17/436772117.db2.gz	GJVHDLSCNDGRGU-UHFFFAOYSA-N	-1	3	346.355	0.878	50	0		ECAAHM
Cn1nc(N2CC[C@@H]([N-]S(=O)(=O)c3cccs3)C2)ccc1=O	ZINC000257184528	436856736	/nfs/dbraw/zinc/85/67/36/436856736.db2.gz	IPRGDMUDUZSUPC-SNVBAGLBSA-N	-1	3	340.430	0.399	50	0		ECAAHM
O=S(=O)([N-]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccco1	ZINC000188754611	437568544	/nfs/dbraw/zinc/56/85/44/437568544.db2.gz	RVUGHWVHHFKQJR-UHFFFAOYSA-N	-1	3	334.419	0.515	50	0		ECAAHM
CN(C)c1cccc(C(=O)N2CCN(c3cc(=O)[n-]c(N)n3)CC2)c1	ZINC000426651975	438071290	/nfs/dbraw/zinc/07/12/90/438071290.db2.gz	HJTBWEKOUNYDLG-UHFFFAOYSA-N	-1	3	342.403	0.793	50	0		ECAAHM
COc1ccccc1S(=O)(=O)[N-]Cc1nc(OC)nc(OC)n1	ZINC000575605684	438750489	/nfs/dbraw/zinc/75/04/89/438750489.db2.gz	CYMUZHFZTISGFH-UHFFFAOYSA-N	-1	3	340.361	0.376	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1nccnc1-c1cnn(C)c1	ZINC000575618515	438751937	/nfs/dbraw/zinc/75/19/37/438751937.db2.gz	AXDPHLPDBHRESK-UHFFFAOYSA-N	-1	3	348.388	0.960	50	0		ECAAHM
COCCN1CCN(C(=O)c2cccc(-c3n[n-]c(OC)n3)c2)CC1	ZINC000584888173	439624370	/nfs/dbraw/zinc/62/43/70/439624370.db2.gz	JSYBIROFSMOTKF-UHFFFAOYSA-N	-1	3	345.403	0.885	50	0		ECAAHM
COCCN1CCN(C(=O)c2cccc(-c3nc(OC)n[n-]3)c2)CC1	ZINC000584888173	439624372	/nfs/dbraw/zinc/62/43/72/439624372.db2.gz	JSYBIROFSMOTKF-UHFFFAOYSA-N	-1	3	345.403	0.885	50	0		ECAAHM
CC(C)Cc1cc(C(=O)NCCSc2nncn2C)[n-]c(=O)n1	ZINC000215543903	535335414	/nfs/dbraw/zinc/33/54/14/535335414.db2.gz	UNMNSSDBONRPFN-UHFFFAOYSA-N	-1	3	336.421	0.619	50	0		ECAAHM
CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cn(C)c(=O)[n-]c1=O	ZINC000215928239	545919632	/nfs/dbraw/zinc/91/96/32/545919632.db2.gz	JWXCNNUFROCZIU-UHFFFAOYSA-N	-1	3	339.355	0.736	50	0		ECAAHM
CCOC(=O)[C@@H]1CSCCN1Cc1nc2c(cnn2C)c(=O)[n-]1	ZINC000054418190	214237812	/nfs/dbraw/zinc/23/78/12/214237812.db2.gz	JWAGTBVTEVKTQO-JTQLQIEISA-N	-1	3	337.405	0.137	50	0		ECAAHM
CCN1C[C@H](CN(C)C(=O)C[C@H]2NC(=O)[N-]C2=O)Oc2ccccc21	ZINC000097740524	219052585	/nfs/dbraw/zinc/05/25/85/219052585.db2.gz	ROWRMUYCTAOGCP-NWDGAFQWSA-N	-1	3	346.387	0.330	50	0		ECAAHM
O=c1cc(CN2C[C@H]3CC[C@H](CN3CC3CC3)C2)nc2[n-]cnn21	ZINC000102777084	219230281	/nfs/dbraw/zinc/23/02/81/219230281.db2.gz	CIHVVNBKGXAOKY-DZGCQCFKSA-N	-1	3	328.420	0.724	50	0		ECAAHM
CN1CCC(C(=O)N2CCN(C)[C@H](C(=O)[O-])C2)(c2ccccc2)CC1	ZINC000067758431	215206297	/nfs/dbraw/zinc/20/62/97/215206297.db2.gz	QKHYAVORZHXZCL-INIZCTEOSA-N	-1	3	345.443	0.877	50	0		ECAAHM
Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCCCCC3)cnc21	ZINC000068460982	215309189	/nfs/dbraw/zinc/30/91/89/215309189.db2.gz	XURZKMBHEXAFQN-UHFFFAOYSA-N	-1	3	338.389	0.187	50	0		ECAAHM
Cc1n[nH]c(C)c1CCC(=O)N1CCc2c(nc(N(C)C)[n-]c2=O)C1	ZINC000072170100	216062682	/nfs/dbraw/zinc/06/26/82/216062682.db2.gz	XMSHQMUAVOAHQJ-UHFFFAOYSA-N	-1	3	344.419	0.693	50	0		ECAAHM
CCOc1cc(CN2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)ccc1OC	ZINC000072475889	216253114	/nfs/dbraw/zinc/25/31/14/216253114.db2.gz	PPSGSJNPJQWWOB-YVEFUNNKSA-N	-1	3	334.372	0.727	50	0		ECAAHM
Cc1cc(NC(=O)C(=O)N2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)no1	ZINC000023250745	212364815	/nfs/dbraw/zinc/36/48/15/212364815.db2.gz	XFFIPJYOQNMGLY-LLVKDONJSA-N	-1	3	345.359	0.719	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCC(OCc2ccccn2)CC1	ZINC000215001074	241099200	/nfs/dbraw/zinc/09/92/00/241099200.db2.gz	OFTYSMHMOXEWLE-CYBMUJFWSA-N	-1	3	332.360	0.187	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N[C@@H](Cn1cccn1)c1ccccc1	ZINC000216234875	241174040	/nfs/dbraw/zinc/17/40/40/241174040.db2.gz	PVBMSGPBKJQQRR-ZDUSSCGKSA-N	-1	3	327.344	0.292	50	0		ECAAHM
Cc1ncc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c(=O)[n-]1	ZINC000215514239	241129685	/nfs/dbraw/zinc/12/96/85/241129685.db2.gz	GRVIOCIHHPYLPC-LBPRGKRZSA-N	-1	3	328.376	0.515	50	0		ECAAHM
Cn1nc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c2c1cccc2Cl	ZINC000215578187	241133852	/nfs/dbraw/zinc/13/38/52/241133852.db2.gz	CEPXYBJBNDAHHS-QMMMGPOBSA-N	-1	3	335.751	0.441	50	0		ECAAHM
Nc1nc(N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)cc(=O)[n-]1	ZINC000218849604	241348354	/nfs/dbraw/zinc/34/83/54/241348354.db2.gz	ZPQSUPSHARUSOF-UHFFFAOYSA-N	-1	3	347.806	0.897	50	0		ECAAHM
O=C([O-])c1[nH]c(=O)[nH]c(=O)c1CN1CCN(Cc2ccccc2)CC1	ZINC000226756658	242114474	/nfs/dbraw/zinc/11/44/74/242114474.db2.gz	FSZWFVOOIKBCSI-UHFFFAOYSA-N	-1	3	344.371	0.079	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c(=O)[n-]1	ZINC000253535013	244007037	/nfs/dbraw/zinc/00/70/37/244007037.db2.gz	CZLIAQXQHRFXER-PVXIVEMSSA-N	-1	3	345.403	0.703	50	0		ECAAHM
Cc1cc(C)n(CC(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]cn3)C2)c(=O)n1	ZINC000253535159	244009889	/nfs/dbraw/zinc/00/98/89/244009889.db2.gz	FLTYTAVWFPANNL-TXEJJXNPSA-N	-1	3	329.360	0.418	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNc2cc([C@H]3C[C@@H](O)C3)nc(N)n2)n1	ZINC000253535247	244010578	/nfs/dbraw/zinc/01/05/78/244010578.db2.gz	MEPQGVOOWLKADO-AOOOYVTPSA-N	-1	3	331.380	0.625	50	0		ECAAHM
O=C(N[C@@H]1CCc2n[nH]cc2C1)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000091713358	218054109	/nfs/dbraw/zinc/05/41/09/218054109.db2.gz	LVCXSPLYWUTXGZ-GFCCVEGCSA-N	-1	3	339.355	0.753	50	0		ECAAHM
O=C([O-])[C@@H]1CC(=O)NC12CCN(Cc1cccc(OCCO)c1)CC2	ZINC000091756135	218060940	/nfs/dbraw/zinc/06/09/40/218060940.db2.gz	HQDIWJPIVMNTFR-HNNXBMFYSA-N	-1	3	348.399	0.613	50	0		ECAAHM
CN1CCN([C@H]2CCN(Cc3ncc[nH]3)C[C@H]2CCC(=O)[O-])CC1	ZINC000091830063	218073071	/nfs/dbraw/zinc/07/30/71/218073071.db2.gz	QTMGDUYVLNBWAX-CABCVRRESA-N	-1	3	335.452	0.712	50	0		ECAAHM
Cc1nccn1-c1ccccc1CNC(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000092066093	218113435	/nfs/dbraw/zinc/11/34/35/218113435.db2.gz	NWLAIGXOIDJCQM-CYBMUJFWSA-N	-1	3	341.371	0.785	50	0		ECAAHM
COc1ccc2c(c1)C[C@H](C(=O)N(CCN(C)C)CC(=O)[O-])CO2	ZINC000299747751	258008487	/nfs/dbraw/zinc/00/84/87/258008487.db2.gz	DXVFIYJDRFDSHT-ZDUSSCGKSA-N	-1	3	336.388	0.721	50	0		ECAAHM
O=C(c1ccc2n[n-]nc2c1)N1CC[C@H]2OCc3cnnn3[C@H]2C1	ZINC000299793991	258099392	/nfs/dbraw/zinc/09/93/92/258099392.db2.gz	JFMUOOXESFJOBH-UONOGXRCSA-N	-1	3	325.332	0.535	50	0		ECAAHM
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1	ZINC000340230876	437613121	/nfs/dbraw/zinc/61/31/21/437613121.db2.gz	IRNMXMJUAAKMHS-UHFFFAOYSA-N	-1	3	341.414	0.555	50	0		ECAAHM
CN1C(=O)N[C@]([N-]S(=O)(=O)c2ccccc2)(C(F)(F)F)C1=O	ZINC000002503952	435967445	/nfs/dbraw/zinc/96/74/45/435967445.db2.gz	HYOXTYDIAMASKL-SNVBAGLBSA-N	-1	3	337.279	0.405	50	0		ECAAHM
CCOC([O-])=NC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O	ZINC000003480407	435974246	/nfs/dbraw/zinc/97/42/46/435974246.db2.gz	PXCJQRYHLAIJLQ-LBPRGKRZSA-N	-1	3	333.344	0.812	50	0		ECAAHM
CCOC(=O)[N-]C(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O	ZINC000003480407	435974252	/nfs/dbraw/zinc/97/42/52/435974252.db2.gz	PXCJQRYHLAIJLQ-LBPRGKRZSA-N	-1	3	333.344	0.812	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]C[C@H](Cc2ccc(F)cc2)C(N)=O)c1	ZINC000069653572	435953516	/nfs/dbraw/zinc/95/35/16/435953516.db2.gz	DZDLBSWEFLLTFU-NSHDSACASA-N	-1	3	340.380	0.182	50	0		ECAAHM
COC(=O)Cc1cc(=O)[n-]c(N2CCN(c3ccc(F)cc3)CC2)n1	ZINC000008993048	436036054	/nfs/dbraw/zinc/03/60/54/436036054.db2.gz	CRGKJMPTWYSCMT-UHFFFAOYSA-N	-1	3	346.362	0.951	50	0		ECAAHM
O=C(CCn1ccc2ccccc21)N1CC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000072290664	436041713	/nfs/dbraw/zinc/04/17/13/436041713.db2.gz	IQWXRGGKFXAWFV-KRWDZBQOSA-N	-1	3	326.356	0.842	50	0		ECAAHM
CCCN1CCN(C(=O)c2ccc([O-])cc2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000072462697	436046013	/nfs/dbraw/zinc/04/60/13/436046013.db2.gz	XHYGXCFPVAQDKG-CABCVRRESA-N	-1	3	338.429	0.726	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CN(CC(C)C)CCO1	ZINC000044869271	436350425	/nfs/dbraw/zinc/35/04/25/436350425.db2.gz	WESUTQWHBBTCOJ-ZDUSSCGKSA-N	-1	3	331.438	0.927	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCCN(Cc2cccs2)CC1	ZINC000042722586	436313585	/nfs/dbraw/zinc/31/35/85/436313585.db2.gz	MCBMZSPUMXHLER-GFCCVEGCSA-N	-1	3	336.417	0.381	50	0		ECAAHM
CCN1CC[C@@]2(CN(c3cncc(C(=O)[O-])n3)CCN2C)CCC1=O	ZINC000091305398	436449313	/nfs/dbraw/zinc/44/93/13/436449313.db2.gz	GCHAXLNPBPMNCP-QGZVFWFLSA-N	-1	3	347.419	0.698	50	0		ECAAHM
CC(=O)N1CCN(CC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1	ZINC000048325275	436449970	/nfs/dbraw/zinc/44/99/70/436449970.db2.gz	OHBROJWUNKRVLU-UHFFFAOYSA-N	-1	3	347.387	0.407	50	0		ECAAHM
COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@@H](C)O	ZINC000095945064	436499390	/nfs/dbraw/zinc/49/93/90/436499390.db2.gz	VNXSGIUVPDWJSJ-LDWIPMOCSA-N	-1	3	325.745	0.680	50	0		ECAAHM
C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O	ZINC000096404112	436530709	/nfs/dbraw/zinc/53/07/09/436530709.db2.gz	MSSPHPBGZKMARI-SNVBAGLBSA-N	-1	3	344.418	0.049	50	0		ECAAHM
C[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)O[C@H]1CCOC1=O	ZINC000097212219	436542470	/nfs/dbraw/zinc/54/24/70/436542470.db2.gz	HOQCNKKVOMNOER-XPHDJTGDSA-N	-1	3	339.369	0.824	50	0		ECAAHM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1C[C@H](C)N[C@@H](C)C1	ZINC000153434976	436756487	/nfs/dbraw/zinc/75/64/87/436756487.db2.gz	GQFURWXKZODURY-QWRGUYRKSA-N	-1	3	342.403	0.287	50	0		ECAAHM
Cc1ccccc1[C@H](O)Cc1nc2c(=O)[nH]c(=O)n(C)c2[n-]c1=O	ZINC000253536173	436846984	/nfs/dbraw/zinc/84/69/84/436846984.db2.gz	GVTVMUOSOKXFHB-LLVKDONJSA-N	-1	3	328.328	0.719	50	0		ECAAHM
Cn1cc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)c(=O)[n-]c1=O	ZINC000291106419	437558233	/nfs/dbraw/zinc/55/82/33/437558233.db2.gz	IIWGYXKITONBAZ-NSHDSACASA-N	-1	3	346.362	0.881	50	0		ECAAHM
CCc1ccc([C@@H](COC)[N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)o1	ZINC000585115733	439632271	/nfs/dbraw/zinc/63/22/71/439632271.db2.gz	QHMYMSFATASDOE-UONOGXRCSA-N	-1	3	346.449	0.780	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]C2CCN(c3cnsn3)CC2)cn1C	ZINC000585148951	439635690	/nfs/dbraw/zinc/63/56/90/439635690.db2.gz	RFDFPUDVQDWFSO-UHFFFAOYSA-N	-1	3	342.450	0.527	50	0		ECAAHM
CCn1cc(CN(CC(C)C)C(=O)c2cn(C)c(=O)[n-]c2=O)cn1	ZINC000220253193	536045059	/nfs/dbraw/zinc/04/50/59/536045059.db2.gz	DSKQWFDFWAUFGB-UHFFFAOYSA-N	-1	3	333.392	0.588	50	0		ECAAHM
O=S(=O)(CC[N-]S(=O)(=O)c1cccs1)NCC1CCC1	ZINC000068938851	215346780	/nfs/dbraw/zinc/34/67/80/215346780.db2.gz	IFCVYXGBGGXZLL-UHFFFAOYSA-N	-1	3	338.476	0.746	50	0		ECAAHM
C[C@@H](OC(=O)CC[C@H]1NC(=O)[N-]C1=O)C(=O)Nc1ccc(F)cc1	ZINC000032515503	212807318	/nfs/dbraw/zinc/80/73/18/212807318.db2.gz	VSWJWVKHKNRECB-LDYMZIIASA-N	-1	3	337.307	0.684	50	0		ECAAHM
CN(C)C[C@]1(O)CCCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1	ZINC000072151625	216039949	/nfs/dbraw/zinc/03/99/49/216039949.db2.gz	SHOXTTCSYCXLFY-GOSISDBHSA-N	-1	3	344.415	0.694	50	0		ECAAHM
CC(=O)N1CCCN(C(=O)Cn2[n-]c(=O)c3ccccc3c2=O)CC1	ZINC000023418116	212375045	/nfs/dbraw/zinc/37/50/45/212375045.db2.gz	UMYSMPZCMGPIHO-UHFFFAOYSA-N	-1	3	344.371	0.183	50	0		ECAAHM
CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccc4n[n-]nc4c3)C[C@@]2(C(=O)[O-])C1	ZINC000215867174	241149590	/nfs/dbraw/zinc/14/95/90/241149590.db2.gz	SYJZGZJVEFVUGB-SJCJKPOMSA-N	-1	3	343.387	0.827	50	0		ECAAHM
CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc4n[n-]nc4c3)C[C@@]2(C(=O)[O-])C1	ZINC000215867174	241149595	/nfs/dbraw/zinc/14/95/95/241149595.db2.gz	SYJZGZJVEFVUGB-SJCJKPOMSA-N	-1	3	343.387	0.827	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N[C@@H]2CCCN(c3cnccn3)C2)c(=O)[n-]1	ZINC000215596962	241134780	/nfs/dbraw/zinc/13/47/80/241134780.db2.gz	CPWKNXDYICPHCU-CYBMUJFWSA-N	-1	3	342.403	0.504	50	0		ECAAHM
C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)C[C@@]1(O)C1CC1	ZINC000091713036	218052201	/nfs/dbraw/zinc/05/22/01/218052201.db2.gz	PCUPZEJOFHXOJI-YGRLFVJLSA-N	-1	3	344.458	0.646	50	0		ECAAHM
COc1cc(C)c(CN(C)C(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1OC	ZINC000009315602	211066980	/nfs/dbraw/zinc/06/69/80/211066980.db2.gz	AWNXIRNGYJHHPP-GFCCVEGCSA-N	-1	3	349.387	0.959	50	0		ECAAHM
O=C(Cc1cnc[n-]c1=O)N1CCCN(Cc2ccncc2)CC1	ZINC000299797479	258101812	/nfs/dbraw/zinc/10/18/12/258101812.db2.gz	NZMRTIHXZBKNNC-UHFFFAOYSA-N	-1	3	327.388	0.854	50	0		ECAAHM
Nc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@H]1COc3ccccc3O1)C2	ZINC000071754637	295369303	/nfs/dbraw/zinc/36/93/03/295369303.db2.gz	YCDZZFTVLSRILN-CYBMUJFWSA-N	-1	3	328.328	0.077	50	0		ECAAHM
O=C1[N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc3cccc1c32	ZINC000001926360	435960381	/nfs/dbraw/zinc/96/03/81/435960381.db2.gz	QMEUJPSTHPPQMX-UHFFFAOYSA-N	-1	3	346.364	0.744	50	0		ECAAHM
CC(C)c1ccc(C(=O)N2CCCN(S(N)(=O)=O)CC2)c([O-])c1	ZINC000069700782	435960490	/nfs/dbraw/zinc/96/04/90/435960490.db2.gz	YLOGYOLFXAERIC-UHFFFAOYSA-N	-1	3	341.433	0.867	50	0		ECAAHM
Cc1c(NC(=O)c2cc(=O)[n-]c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C	ZINC000000033022	435949275	/nfs/dbraw/zinc/94/92/75/435949275.db2.gz	LBMHNWYMQJOOIR-UHFFFAOYSA-N	-1	3	341.327	0.526	50	0		ECAAHM
CC(C)(C)c1nc(CC(=O)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)cs1	ZINC000072290716	436043834	/nfs/dbraw/zinc/04/38/34/436043834.db2.gz	LEAUYPIRAZLTLM-HNNXBMFYSA-N	-1	3	336.417	0.794	50	0		ECAAHM
O=C1OCC[C@@H]1N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000012740765	436054122	/nfs/dbraw/zinc/05/41/22/436054122.db2.gz	XRSLCDLEXKBMKF-NSHDSACASA-N	-1	3	330.431	0.806	50	0		ECAAHM
O=C1OCC[C@H]1N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000012740767	436054414	/nfs/dbraw/zinc/05/44/14/436054414.db2.gz	XRSLCDLEXKBMKF-LLVKDONJSA-N	-1	3	330.431	0.806	50	0		ECAAHM
COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1Cl	ZINC000016648178	436095308	/nfs/dbraw/zinc/09/53/08/436095308.db2.gz	PQWZWYWDJLSCCF-UHFFFAOYSA-N	-1	3	345.764	0.834	50	0		ECAAHM
CCCN1CCN(S(=O)(=O)c2[n-]ncc2C(=O)OCC)CC1	ZINC000016842616	436096589	/nfs/dbraw/zinc/09/65/89/436096589.db2.gz	GBANYKNZGVDPBJ-UHFFFAOYSA-N	-1	3	330.410	0.303	50	0		ECAAHM
CCCN1CCN(S(=O)(=O)c2n[n-]cc2C(=O)OCC)CC1	ZINC000016842616	436096596	/nfs/dbraw/zinc/09/65/96/436096596.db2.gz	GBANYKNZGVDPBJ-UHFFFAOYSA-N	-1	3	330.410	0.303	50	0		ECAAHM
O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cnn[n-]1	ZINC000075134681	436153229	/nfs/dbraw/zinc/15/32/29/436153229.db2.gz	SGFYSOKKIZSIHY-UHFFFAOYSA-N	-1	3	325.325	0.736	50	0		ECAAHM
O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1c[n-]nn1	ZINC000075134681	436153237	/nfs/dbraw/zinc/15/32/37/436153237.db2.gz	SGFYSOKKIZSIHY-UHFFFAOYSA-N	-1	3	325.325	0.736	50	0		ECAAHM
O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cn[n-]n1	ZINC000075134681	436153242	/nfs/dbraw/zinc/15/32/42/436153242.db2.gz	SGFYSOKKIZSIHY-UHFFFAOYSA-N	-1	3	325.325	0.736	50	0		ECAAHM
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000077407173	436236895	/nfs/dbraw/zinc/23/68/95/436236895.db2.gz	UMJYNLRGIGZSPE-UHFFFAOYSA-N	-1	3	325.328	0.933	50	0		ECAAHM
C[C@@H]1CCC[C@@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1	ZINC000033183602	436250820	/nfs/dbraw/zinc/25/08/20/436250820.db2.gz	SAWYORIHUPZYPL-RKDXNWHRSA-N	-1	3	344.209	0.994	50	0		ECAAHM
CC1(C)Cc2cccc(OCCNC(=O)C[C@@H]3NC(=O)[N-]C3=O)c2O1	ZINC000042724009	436315362	/nfs/dbraw/zinc/31/53/62/436315362.db2.gz	GPUOWDLMWXFHPC-NSHDSACASA-N	-1	3	347.371	0.493	50	0		ECAAHM
COc1ccccc1OC1(C(=O)[O-])CCN(C[C@H](O)CO)CC1	ZINC000082120337	436360730	/nfs/dbraw/zinc/36/07/30/436360730.db2.gz	HFYNSHBRFSTEPE-LBPRGKRZSA-N	-1	3	325.361	0.346	50	0		ECAAHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cc2n(n1)CCNC2	ZINC000082138654	436363456	/nfs/dbraw/zinc/36/34/56/436363456.db2.gz	PUDDROVFHLDULN-UHFFFAOYSA-N	-1	3	344.828	0.160	50	0		ECAAHM
CCS(=O)(=O)N1C[C@H]2CN(Cc3ccncc3)C[C@@]2(C(=O)[O-])C1	ZINC000091320163	436449488	/nfs/dbraw/zinc/44/94/88/436449488.db2.gz	ZLYKXXFOTDKGLA-UKRRQHHQSA-N	-1	3	339.417	0.250	50	0		ECAAHM
C[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000048304002	436449579	/nfs/dbraw/zinc/44/95/79/436449579.db2.gz	QSMDSSVUXWRGFK-VIFPVBQESA-N	-1	3	326.316	0.639	50	0		ECAAHM
COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@H](C)O	ZINC000095945065	436499723	/nfs/dbraw/zinc/49/97/23/436499723.db2.gz	VNXSGIUVPDWJSJ-QUBYGPBYSA-N	-1	3	325.745	0.680	50	0		ECAAHM
O=c1ccc(-c2csc(S(=O)(=O)[N-]C[C@@H]3CCCO3)c2)n[nH]1	ZINC000065119349	436651394	/nfs/dbraw/zinc/65/13/94/436651394.db2.gz	UEHVHMKVAMYEJA-JTQLQIEISA-N	-1	3	341.414	0.956	50	0		ECAAHM
COc1cccc(S(=O)(=O)N2C[C@@H]3CN(C)C[C@]3(C(=O)[O-])C2)c1	ZINC000065424765	436660313	/nfs/dbraw/zinc/66/03/13/436660313.db2.gz	CAUWSFHAAZOWHP-NHYWBVRUSA-N	-1	3	340.401	0.332	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNc2nccc(N3CCC[C@@H](O)C3)n2)n1	ZINC000065380981	436655247	/nfs/dbraw/zinc/65/52/47/436655247.db2.gz	RTMJVZFJACOYLP-GFCCVEGCSA-N	-1	3	345.407	0.353	50	0		ECAAHM
Cc1nc(CCNc2nccc(N3CCC[C@@H](O)C3)n2)cc(=O)[n-]1	ZINC000065399055	436657471	/nfs/dbraw/zinc/65/74/71/436657471.db2.gz	DCGNWNDXLRUUCI-CYBMUJFWSA-N	-1	3	330.392	0.484	50	0		ECAAHM
Cn1ncc(N2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)cc1=O	ZINC000220003012	436697164	/nfs/dbraw/zinc/69/71/64/436697164.db2.gz	INQNBPDSDAGKSE-UHFFFAOYSA-N	-1	3	339.359	0.014	50	0		ECAAHM
C[C@H](C(=O)NCc1c[nH]c(=O)[n-]c1=O)N1CCc2ccccc2C1	ZINC000220061251	436697890	/nfs/dbraw/zinc/69/78/90/436697890.db2.gz	NTDCVIVPZNZMMM-LLVKDONJSA-N	-1	3	328.372	0.126	50	0		ECAAHM
Cc1ncc(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)c(=O)[n-]1	ZINC000223303320	436704869	/nfs/dbraw/zinc/70/48/69/436704869.db2.gz	JQUQMTFHWLGABE-ZIAGYGMSSA-N	-1	3	344.371	0.369	50	0		ECAAHM
CN(CC(=O)NCCc1nc(N)cc(=O)[n-]1)Cc1ccc(F)cc1	ZINC000223730278	436708160	/nfs/dbraw/zinc/70/81/60/436708160.db2.gz	YKFQOLBKMZLFHP-UHFFFAOYSA-N	-1	3	333.367	0.694	50	0		ECAAHM
CN(C)c1noc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)n1	ZINC000225434205	436710076	/nfs/dbraw/zinc/71/00/76/436710076.db2.gz	QXDBAKRDKXRYBW-UHFFFAOYSA-N	-1	3	330.304	0.341	50	0		ECAAHM
COc1ccc([C@H]2CCCN2C(=O)C[C@H]2NC(=O)[N-]C2=O)c(OC)c1	ZINC000065465429	436663803	/nfs/dbraw/zinc/66/38/03/436663803.db2.gz	VPXYQNKLDCJXAB-CHWSQXEVSA-N	-1	3	347.371	0.965	50	0		ECAAHM
O=S(=O)([N-]C[C@H]1CCCO1)[C@H]1CS(=O)(=O)c2ccccc21	ZINC000065605893	436669103	/nfs/dbraw/zinc/66/91/03/436669103.db2.gz	WDBOQOLFEOGADE-MFKMUULPSA-N	-1	3	331.415	0.613	50	0		ECAAHM
COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2CCN2Cc2ccccc2)n1	ZINC000240244167	436758150	/nfs/dbraw/zinc/75/81/50/436758150.db2.gz	DKMCQTUOQBHPNW-LBPRGKRZSA-N	-1	3	329.360	0.733	50	0		ECAAHM
COC(=O)Cc1nc(NC(=O)[C@@H]2CCN2Cc2ccccc2)n[n-]1	ZINC000240244167	436758153	/nfs/dbraw/zinc/75/81/53/436758153.db2.gz	DKMCQTUOQBHPNW-LBPRGKRZSA-N	-1	3	329.360	0.733	50	0		ECAAHM
COC(=O)Cc1nnc(NC(=O)[C@@H]2CCN2Cc2ccccc2)[n-]1	ZINC000240244167	436758155	/nfs/dbraw/zinc/75/81/55/436758155.db2.gz	DKMCQTUOQBHPNW-LBPRGKRZSA-N	-1	3	329.360	0.733	50	0		ECAAHM
C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000248680825	436809939	/nfs/dbraw/zinc/80/99/39/436809939.db2.gz	OKLNHDXPNQUROG-PFHKOEEOSA-N	-1	3	336.436	0.553	50	0		ECAAHM
O=C(Cn1nnc2ccccc21)N1CCC(n2c([O-])coc2=O)CC1	ZINC000253401180	436841822	/nfs/dbraw/zinc/84/18/22/436841822.db2.gz	MOQWAPZOHGLARS-UHFFFAOYSA-N	-1	3	343.343	0.401	50	0		ECAAHM
Cc1cccc(Cn2[n-]ccc2=NC(=O)CN2CCC[C@@H]2C(N)=O)c1	ZINC000253618390	436847578	/nfs/dbraw/zinc/84/75/78/436847578.db2.gz	VOZLKRDSBYVXQG-OAHLLOKOSA-N	-1	3	341.415	0.550	50	0		ECAAHM
Cc1cccc(Cn2[n-]ccc2=NC(=O)CN2CCC[C@H]2C(N)=O)c1	ZINC000253618389	436847944	/nfs/dbraw/zinc/84/79/44/436847944.db2.gz	VOZLKRDSBYVXQG-HNNXBMFYSA-N	-1	3	341.415	0.550	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000588079235	438816015	/nfs/dbraw/zinc/81/60/15/438816015.db2.gz	BHFLGFWDMBUGFN-ZDUSSCGKSA-N	-1	3	345.451	0.973	50	0		ECAAHM
O=C(NCc1n[nH]c(=O)[n-]1)NC[C@H]1CCN(Cc2ccccc2F)C1	ZINC000534644072	439531227	/nfs/dbraw/zinc/53/12/27/439531227.db2.gz	WNLXKQGYCVWWCS-LLVKDONJSA-N	-1	3	348.382	0.971	50	0		ECAAHM
COc1cc(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)on1	ZINC000660010226	440569071	/nfs/dbraw/zinc/56/90/71/440569071.db2.gz	HTSSPLJACPQBQW-UHFFFAOYSA-N	-1	3	346.386	0.565	50	0		ECAAHM
CCc1nc(=N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)s[n-]1	ZINC000585092164	546287544	/nfs/dbraw/zinc/28/75/44/546287544.db2.gz	HQTLKOZZIVHHPE-LLVKDONJSA-N	-1	3	327.454	0.113	50	0		ECAAHM
O=C(N[C@@H]1CC[C@@H](N2CCN3C(=O)CC[C@H]3C2)C1)c1ncccc1[O-]	ZINC000585079776	752394287	/nfs/dbraw/zinc/39/42/87/752394287.db2.gz	HNXUXBSKTLDPPL-MCIONIFRSA-N	-1	3	344.415	0.745	50	0		ECAAHM
COc1cc2c(cc1OC)CCN(C(=O)C[C@H]1NC(=O)[N-]C1=O)CC2	ZINC000056462589	214376138	/nfs/dbraw/zinc/37/61/38/214376138.db2.gz	RJJOPBIITSOQAF-GFCCVEGCSA-N	-1	3	347.371	0.229	50	0		ECAAHM
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000004263879	210155804	/nfs/dbraw/zinc/15/58/04/210155804.db2.gz	LZBZPKYCLWXKNW-UHFFFAOYSA-N	-1	3	349.302	0.805	50	0		ECAAHM
Cc1nc2sccn2c1C(=O)N1CCc2c(nc(N)[n-]c2=O)C1	ZINC000072169564	216060535	/nfs/dbraw/zinc/06/05/35/216060535.db2.gz	IUDVGISTZBWTRP-UHFFFAOYSA-N	-1	3	330.373	0.568	50	0		ECAAHM
Cc1cccnc1CN1CCN(C(=O)c2cc(=O)[n-]c(=O)[nH]2)CC1	ZINC000072431587	216225109	/nfs/dbraw/zinc/22/51/09/216225109.db2.gz	KUFKAETZQLNGPY-UHFFFAOYSA-N	-1	3	329.360	0.137	50	0		ECAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCCN(Cc2cccs2)CC1	ZINC000072463697	216246732	/nfs/dbraw/zinc/24/67/32/216246732.db2.gz	IRASGDKOVBWYRV-UHFFFAOYSA-N	-1	3	334.401	0.885	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1csc(Cc2ccccc2)n1	ZINC000215910286	241153472	/nfs/dbraw/zinc/15/34/72/241153472.db2.gz	VZRBXXFNUHOJML-LBPRGKRZSA-N	-1	3	344.396	0.948	50	0		ECAAHM
Cc1cncnc1C1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)CC1	ZINC000216227800	241174504	/nfs/dbraw/zinc/17/45/04/241174504.db2.gz	IZJUVYOQNRKWJO-LBPRGKRZSA-N	-1	3	331.376	0.479	50	0		ECAAHM
O=C(NCCCN1CCOCC1)[C@@H]1CC(c2ccccc2[O-])=NO1	ZINC000020028797	212094464	/nfs/dbraw/zinc/09/44/64/212094464.db2.gz	WNLQHUGEEQTITO-INIZCTEOSA-N	-1	3	333.388	0.724	50	0		ECAAHM
CCc1nc(C)c(CC(=O)N2CCC3(CC2)OCCC[C@@H]3O)c(=O)[n-]1	ZINC000091445056	218007350	/nfs/dbraw/zinc/00/73/50/218007350.db2.gz	AAOVIMNHWCTWNA-AWEZNQCLSA-N	-1	3	349.431	0.716	50	0		ECAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)OC)cc(-c3cccnc3)nc21	ZINC000008345989	210941058	/nfs/dbraw/zinc/94/10/58/210941058.db2.gz	MALXDKUZMZFKHX-UHFFFAOYSA-N	-1	3	326.312	0.953	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCC(=O)[O-])CC1=O	ZINC000299750562	258007569	/nfs/dbraw/zinc/00/75/69/258007569.db2.gz	NWPNOZUUTMFIMD-CHWSQXEVSA-N	-1	3	325.409	0.252	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCN(c3ccccn3)CC1)[n-]c2=O	ZINC000052798570	132185799	/nfs/dbraw/zinc/18/57/99/132185799.db2.gz	GLCUITHRQKEFQR-UHFFFAOYSA-N	-1	3	325.376	0.374	50	0		ECAAHM
COC([O-])=NC(=O)c1cn(Cc2ccc(Cl)cc2)c(=O)[nH]c1=O	ZINC000005719899	435990511	/nfs/dbraw/zinc/99/05/11/435990511.db2.gz	BVKOEGBKQFNDBO-UHFFFAOYSA-N	-1	3	337.719	0.735	50	0		ECAAHM
COC(=O)[N-]C(=O)c1cn(Cc2ccc(Cl)cc2)c(=O)[nH]c1=O	ZINC000005719899	435990517	/nfs/dbraw/zinc/99/05/17/435990517.db2.gz	BVKOEGBKQFNDBO-UHFFFAOYSA-N	-1	3	337.719	0.735	50	0		ECAAHM
CCOC(=O)C1=C(N)Oc2[nH]c(=O)[n-]c(=O)c2[C@@H]1c1ccccc1F	ZINC000000405750	435951719	/nfs/dbraw/zinc/95/17/19/435951719.db2.gz	VCLKXEYULJBEBE-SECBINFHSA-N	-1	3	347.302	0.460	50	0		ECAAHM
O=C([O-])c1[nH]c(=O)[nH]c(=O)c1CN1CCN(c2ccccc2)CC1	ZINC000001432680	435957718	/nfs/dbraw/zinc/95/77/18/435957718.db2.gz	YOYUZVWGEDMNMZ-UHFFFAOYSA-N	-1	3	330.344	0.084	50	0		ECAAHM
CN1CCN(C(=O)[C@@H]2C[C@H](C(=O)[O-])CN(Cc3ccncc3)C2)CC1	ZINC000071750027	436010385	/nfs/dbraw/zinc/01/03/85/436010385.db2.gz	NAUZDPCEIXVDDI-CVEARBPZSA-N	-1	3	346.431	0.378	50	0		ECAAHM
Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[C@H]1NC(=O)[N-]C1=O	ZINC000071839998	436017543	/nfs/dbraw/zinc/01/75/43/436017543.db2.gz	AAIBQQHBDQBDDS-YPMHNXCESA-N	-1	3	341.371	0.835	50	0		ECAAHM
Cc1ccc([O-])c(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1	ZINC000071890873	436029064	/nfs/dbraw/zinc/02/90/64/436029064.db2.gz	TYGYZXXNGJKCPS-UHFFFAOYSA-N	-1	3	340.445	0.939	50	0		ECAAHM
COc1ccccc1N1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)CC1	ZINC000012555630	436050822	/nfs/dbraw/zinc/05/08/22/436050822.db2.gz	MXXDNXVZZLLILP-LBPRGKRZSA-N	-1	3	346.387	0.332	50	0		ECAAHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCOCC1	ZINC000015783165	436084465	/nfs/dbraw/zinc/08/44/65/436084465.db2.gz	SCOQDEQEENKWFZ-GFCCVEGCSA-N	-1	3	332.447	0.910	50	0		ECAAHM
Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[n-]c(N2CCCC2)n1	ZINC000022607767	436119039	/nfs/dbraw/zinc/11/90/39/436119039.db2.gz	ZBIWLHMHMQPTLY-UHFFFAOYSA-N	-1	3	342.403	0.972	50	0		ECAAHM
Cc1nc(C)c(CCC(=O)Nn2cnc3ccccc3c2=O)c(=O)[n-]1	ZINC000032842956	436244452	/nfs/dbraw/zinc/24/44/52/436244452.db2.gz	FKWIDMWSEFDWKF-UHFFFAOYSA-N	-1	3	339.355	0.800	50	0		ECAAHM
Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(C)C[C@@H]1C	ZINC000089499570	436412401	/nfs/dbraw/zinc/41/24/01/436412401.db2.gz	PMKOZRAFMIOBOH-LBPRGKRZSA-N	-1	3	341.415	0.845	50	0		ECAAHM
CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc(-c2cccnc2)[n-]c1=O	ZINC000096166505	436519196	/nfs/dbraw/zinc/51/91/96/436519196.db2.gz	ABUCMWPGRBBALB-KBPBESRZSA-N	-1	3	343.387	0.693	50	0		ECAAHM
Cc1ccccc1C[C@H](CNC(=O)C(C)S(C)(=O)=O)C(=O)[O-]	ZINC000095970677	436501622	/nfs/dbraw/zinc/50/16/22/436501622.db2.gz	RMHJPMIXKYQQRW-DGCLKSJQSA-N	-1	3	327.402	0.788	50	0		ECAAHM
Cc1ccccc1C[C@@H](CNC(=O)C(C)S(C)(=O)=O)C(=O)[O-]	ZINC000095970676	436501695	/nfs/dbraw/zinc/50/16/95/436501695.db2.gz	RMHJPMIXKYQQRW-YPMHNXCESA-N	-1	3	327.402	0.788	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1nc2ccccc2n1-c1ccccc1	ZINC000097931195	436544502	/nfs/dbraw/zinc/54/45/02/436544502.db2.gz	CUZZYZUCFNAYCZ-ZDUSSCGKSA-N	-1	3	349.350	1.562	50	0		ECAAHM
Cc1nc(CCNc2ncc(F)c(N3CCOCC3)n2)cc(=O)[n-]1	ZINC000065372247	436655931	/nfs/dbraw/zinc/65/59/31/436655931.db2.gz	VKOKIXXGBFYFSG-UHFFFAOYSA-N	-1	3	334.355	0.499	50	0		ECAAHM
Cn1cc(C(=O)NCc2nc(C3CCCCC3)no2)c(=O)[n-]c1=O	ZINC000220574862	436699992	/nfs/dbraw/zinc/69/99/92/436699992.db2.gz	UGZKAIYUDRNPSG-UHFFFAOYSA-N	-1	3	333.348	0.434	50	0		ECAAHM
Cn1ncc2c1nc(CN1CC[C@@H](CNc3ccccn3)C1)[n-]c2=O	ZINC000065523310	436666954	/nfs/dbraw/zinc/66/69/54/436666954.db2.gz	UIFOHGPEUCTADD-LBPRGKRZSA-N	-1	3	339.403	0.986	50	0		ECAAHM
O=C(NCCCN1CCCc2ccccc21)c1c[nH]c(=O)[n-]c1=O	ZINC000067695271	436720694	/nfs/dbraw/zinc/72/06/94/436720694.db2.gz	AFNRSJOJBUBMLM-UHFFFAOYSA-N	-1	3	328.372	0.636	50	0		ECAAHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@@H](CNc3cccnn3)C2)on1	ZINC000229300630	436715559	/nfs/dbraw/zinc/71/55/59/436715559.db2.gz	RHBBLNFRYFUWAO-OLZOCXBDSA-N	-1	3	346.391	0.913	50	0		ECAAHM
O=C1[N-]C(=O)c2cc(S(=O)(=O)NCCc3ccccn3)ccc21	ZINC000069415488	436771093	/nfs/dbraw/zinc/77/10/93/436771093.db2.gz	YGZRJOUVPZVKLA-UHFFFAOYSA-N	-1	3	331.353	0.486	50	0		ECAAHM
CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)[O-])CC1	ZINC000248091460	436800153	/nfs/dbraw/zinc/80/01/53/436800153.db2.gz	VRWZLFVPHZTUAR-NDKCEZKHSA-N	-1	3	341.452	0.872	50	0		ECAAHM
CC[C@@H](C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)CC)C(=O)[O-]	ZINC000248252677	436801261	/nfs/dbraw/zinc/80/12/61/436801261.db2.gz	JNTMAZFVYNDPLB-MQLXINIDSA-N	-1	3	341.452	0.966	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)COC(=O)C[C@H]1CCS(=O)(=O)C1	ZINC000253390082	436839388	/nfs/dbraw/zinc/83/93/88/436839388.db2.gz	IPZXEYNGLUYZFJ-LLVKDONJSA-N	-1	3	343.405	0.022	50	0		ECAAHM
COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc([O-])cc2)C1	ZINC000253378516	436839719	/nfs/dbraw/zinc/83/97/19/436839719.db2.gz	PSCKMVIAMDLVKE-BETUJISGSA-N	-1	3	346.387	0.798	50	0		ECAAHM
Cc1ccc([C@H](O)Cc2nc3c(=O)[nH]c(=O)n(C)c3[n-]c2=O)cc1	ZINC000253536366	436848301	/nfs/dbraw/zinc/84/83/01/436848301.db2.gz	XRIAZFVPHSVWOI-LLVKDONJSA-N	-1	3	328.328	0.719	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCC(N2CCO[C@@H](C)C2)CC1	ZINC000254906087	436849415	/nfs/dbraw/zinc/84/94/15/436849415.db2.gz	PFAPUFVHKASONE-HNNXBMFYSA-N	-1	3	349.479	0.839	50	0		ECAAHM
CC(=O)N1CC[C@@H](NC(=O)c2c[n-]c3ccc(F)cc3c2=O)[C@H](O)C1	ZINC000252488241	436834677	/nfs/dbraw/zinc/83/46/77/436834677.db2.gz	IOBKEIYAALPLII-HUUCEWRRSA-N	-1	3	347.346	0.791	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCN(c2nccs2)CC1	ZINC000252498044	436835615	/nfs/dbraw/zinc/83/56/15/436835615.db2.gz	KQHKEOONISYLSP-UHFFFAOYSA-N	-1	3	334.449	0.932	50	0		ECAAHM
CC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[n-]n2c1=O	ZINC000252550186	436837477	/nfs/dbraw/zinc/83/74/77/436837477.db2.gz	SERPNIZVGIVJCA-CABZTGNLSA-N	-1	3	336.392	0.492	50	0		ECAAHM
Cc1nc(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)no1	ZINC000331849917	437168884	/nfs/dbraw/zinc/16/88/84/437168884.db2.gz	CGKYPBMOESTLAX-UHFFFAOYSA-N	-1	3	345.359	0.751	50	0		ECAAHM
C[C@@H](Cn1cccn1)C(=O)NC1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000426434106	438060874	/nfs/dbraw/zinc/06/08/74/438060874.db2.gz	MMEPSFXTZXOSDY-NSHDSACASA-N	-1	3	345.407	0.382	50	0		ECAAHM
CN1CCc2c(CNC(=O)[C@@H]3CCCO3)c3c(c([O-])c2C1=O)OCO3	ZINC000604405085	439312093	/nfs/dbraw/zinc/31/20/93/439312093.db2.gz	PRPIHTQSYOYFRF-NSHDSACASA-N	-1	3	348.355	0.544	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCc2nnc(OC)cc2C1	ZINC000606375817	439405715	/nfs/dbraw/zinc/40/57/15/439405715.db2.gz	NLZXQUYWCDMKEC-UHFFFAOYSA-N	-1	3	330.392	0.510	50	0		ECAAHM
CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cnnn1-c1ccccc1	ZINC000583651518	439494263	/nfs/dbraw/zinc/49/42/63/439494263.db2.gz	NUGCMCQEXYTVBU-CMPLNLGQSA-N	-1	3	342.446	0.658	50	0		ECAAHM
CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cnnn1-c1ccccc1	ZINC000583651520	439496288	/nfs/dbraw/zinc/49/62/88/439496288.db2.gz	NUGCMCQEXYTVBU-JQWIXIFHSA-N	-1	3	342.446	0.658	50	0		ECAAHM
COc1ccc(C=Cc2nc3c(=O)[nH]c(=O)n(C)c3[n-]c2=O)cc1	ZINC000585152458	439636062	/nfs/dbraw/zinc/63/60/62/439636062.db2.gz	JRBLGVVKIBHKGD-VMPITWQZSA-N	-1	3	326.312	0.901	50	0		ECAAHM
CCN(CC)c1nc(Oc2ccc(=O)[n-]n2)nc(N2CCOCC2)n1	ZINC000004818228	520928645	/nfs/dbraw/zinc/92/86/45/520928645.db2.gz	HCUUAQFDYFZIGK-UHFFFAOYSA-N	-1	3	347.379	0.430	50	0		ECAAHM
COc1cc[n-]c(=NNC(=O)C(C)(C)CN2CCn3ccnc3C2)n1	ZINC000095465148	545729839	/nfs/dbraw/zinc/72/98/39/545729839.db2.gz	RJZQSDAGJXZABL-UHFFFAOYSA-N	-1	3	345.407	0.667	50	0		ECAAHM
CC(C)CN1C[C@@H](C(=O)N2CCC(c3cc(=O)[n-]cn3)CC2)CC1=O	ZINC000097610276	219041666	/nfs/dbraw/zinc/04/16/66/219041666.db2.gz	ULFGWAFBJCLNEA-AWEZNQCLSA-N	-1	3	346.431	0.980	50	0		ECAAHM
CN(Cc1nc2c(cnn2C)c(=O)[n-]1)C[C@@H]1COc2ccccc2O1	ZINC000054418057	214237528	/nfs/dbraw/zinc/23/75/28/214237528.db2.gz	ORGKWLBNXAOFQW-LLVKDONJSA-N	-1	3	341.371	0.928	50	0		ECAAHM
Cc1cc(C)n(CCC(=O)NCCc2cc(=O)[n-]c(C)n2)c(=O)n1	ZINC000055154043	214280892	/nfs/dbraw/zinc/28/08/92/214280892.db2.gz	QDAUVAWMVWRKFI-UHFFFAOYSA-N	-1	3	331.376	0.001	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCCN(c2ccccc2)CC1	ZINC000097915094	219060061	/nfs/dbraw/zinc/06/00/61/219060061.db2.gz	LNASBTQYLJOKFP-AWEZNQCLSA-N	-1	3	330.388	0.714	50	0		ECAAHM
COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1	ZINC000004324749	210172012	/nfs/dbraw/zinc/17/20/12/210172012.db2.gz	OBDVBPLRNSSBHW-ZETCQYMHSA-N	-1	3	339.416	0.000	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1ccc2c(c1)OCCCO2	ZINC000066775457	215078951	/nfs/dbraw/zinc/07/89/51/215078951.db2.gz	JYMIDCMYSHXRRO-NSHDSACASA-N	-1	3	333.344	0.452	50	0		ECAAHM
O=C1[N-]C(=O)[C@@](c2cccnc2)(C2CCN(Cc3c[nH]cn3)CC2)N1	ZINC000067871863	215236589	/nfs/dbraw/zinc/23/65/89/215236589.db2.gz	VTPFQNCPHNPJTA-KRWDZBQOSA-N	-1	3	340.387	0.752	50	0		ECAAHM
NC(=O)CN1CCC([N-]S(=O)(=O)c2cccc(Cl)c2F)CC1	ZINC000040523835	213334643	/nfs/dbraw/zinc/33/46/43/213334643.db2.gz	KBFPGLVMNJSHSM-UHFFFAOYSA-N	-1	3	349.815	0.707	50	0		ECAAHM
O=C([O-])CNc1cccc(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c1	ZINC000055167925	304069673	/nfs/dbraw/zinc/06/96/73/304069673.db2.gz	AFVVUAHHOUWDBP-HOTGVXAUSA-N	-1	3	347.415	0.854	50	0		ECAAHM
CCOC(=O)N[C@H](C(=O)c1ccccc1)n1cc(F)c(=O)[n-]c1=O	ZINC000035681920	213046206	/nfs/dbraw/zinc/04/62/06/213046206.db2.gz	BBEWXEXVABILJE-LBPRGKRZSA-N	-1	3	335.291	0.803	50	0		ECAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1	ZINC000072146397	216033313	/nfs/dbraw/zinc/03/33/13/216033313.db2.gz	RWXKNNVEFNYCDY-LBPRGKRZSA-N	-1	3	348.403	0.046	50	0		ECAAHM
O=S(=O)([N-]Cc1nc(-c2ncccn2)no1)NCc1ccccc1	ZINC000072163930	216053133	/nfs/dbraw/zinc/05/31/33/216053133.db2.gz	BHBQNVASWQBZLC-UHFFFAOYSA-N	-1	3	346.372	0.651	50	0		ECAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)CCCc1cn[nH]c1)C2	ZINC000072166632	216055299	/nfs/dbraw/zinc/05/52/99/216055299.db2.gz	GYODBDRHMVLKGV-UHFFFAOYSA-N	-1	3	330.392	0.467	50	0		ECAAHM
Nc1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccc(-c3cc[nH]n3)cc1)C2	ZINC000072169349	216061030	/nfs/dbraw/zinc/06/10/30/216061030.db2.gz	GIBJCYQZMUUKDE-UHFFFAOYSA-N	-1	3	336.355	0.941	50	0		ECAAHM
Cc1ccc(-c2cc(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)no2)cc1	ZINC000215352477	241120583	/nfs/dbraw/zinc/12/05/83/241120583.db2.gz	YREPWDXSQLRDLL-LBPRGKRZSA-N	-1	3	328.328	0.864	50	0		ECAAHM
Cn1cc(C(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)c(=O)[n-]c1=O	ZINC000215148391	241107971	/nfs/dbraw/zinc/10/79/71/241107971.db2.gz	UVHZXTRXBKMUQY-LLVKDONJSA-N	-1	3	342.355	0.204	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@@H]1CCc1ccccn1	ZINC000215296269	241116984	/nfs/dbraw/zinc/11/69/84/241116984.db2.gz	KLJBFIPKDFHPFQ-CQSZACIVSA-N	-1	3	330.388	0.947	50	0		ECAAHM
Cc1nc(-c2ccc(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2)no1	ZINC000216363785	241185344	/nfs/dbraw/zinc/18/53/44/241185344.db2.gz	RLYYOAYWAQXALB-NSHDSACASA-N	-1	3	329.316	0.259	50	0		ECAAHM
Cc1csc(SCC(=O)NCCc2nc(N)cc(=O)[n-]2)n1	ZINC000218980793	241357425	/nfs/dbraw/zinc/35/74/25/241357425.db2.gz	YOVCNKQNGUAISF-UHFFFAOYSA-N	-1	3	325.419	0.980	50	0		ECAAHM
CC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[n-]n2c1=O	ZINC000230274681	242259017	/nfs/dbraw/zinc/25/90/17/242259017.db2.gz	HYNYKFOMMSWFBJ-JOYOIKCWSA-N	-1	3	336.392	0.080	50	0		ECAAHM
COc1cncc([C@H](NC(=O)c2cc(=O)[n-]c(=O)[nH]2)[C@H]2C[C@@H](O)C2)c1	ZINC000253535274	244010825	/nfs/dbraw/zinc/01/08/25/244010825.db2.gz	NEMPQQGRVFHCOI-IPURGOFSSA-N	-1	3	346.343	0.533	50	0		ECAAHM
Cc1cc(=O)[n-]c(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)n1	ZINC000253536796	244015125	/nfs/dbraw/zinc/01/51/25/244015125.db2.gz	OWNCYYYQEGUCQA-UHFFFAOYSA-N	-1	3	335.408	0.543	50	0		ECAAHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccc(=O)[nH]c3)CC2)n1	ZINC000253537310	244016660	/nfs/dbraw/zinc/01/66/60/244016660.db2.gz	LTZPQAYGJBOUDR-UHFFFAOYSA-N	-1	3	329.360	0.990	50	0		ECAAHM
O=C([O-])[C@]12CN(C(=O)C3CCOCC3)C[C@H]1CN(c1ccncc1)C2	ZINC000092076858	304215412	/nfs/dbraw/zinc/21/54/12/304215412.db2.gz	YDJKWQMDEBREBE-RDTXWAMCSA-N	-1	3	345.399	0.858	50	0		ECAAHM
Cc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2	ZINC000008994290	211030576	/nfs/dbraw/zinc/03/05/76/211030576.db2.gz	SCGGWOATLZJTBV-NSHDSACASA-N	-1	3	328.328	0.417	50	0		ECAAHM
O=C(COc1ccc2ccccc2c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000095407674	218343920	/nfs/dbraw/zinc/34/39/20/218343920.db2.gz	VAWRBNMINLXREL-HNNXBMFYSA-N	-1	3	339.351	0.981	50	0		ECAAHM
CS(=O)(=O)C(Cc1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000299752410	258007205	/nfs/dbraw/zinc/00/72/05/258007205.db2.gz	UAJWLWCVZPDASY-AWEZNQCLSA-N	-1	3	339.413	0.966	50	0		ECAAHM
COCCn1cncc1CN1C[C@H](CC(=O)[O-])[C@H](c2cn(C)nn2)C1	ZINC000299775335	258085810	/nfs/dbraw/zinc/08/58/10/258085810.db2.gz	IISUDDVJGOZEGH-GXTWGEPZSA-N	-1	3	348.407	0.348	50	0		ECAAHM
CC(C)Cc1cc(C(=O)N2CCc3c(nc(N)[n-]c3=O)C2)nc(N)n1	ZINC000299798361	258102637	/nfs/dbraw/zinc/10/26/37/258102637.db2.gz	REEKEGUWJZHIGB-UHFFFAOYSA-N	-1	3	343.391	0.534	50	0		ECAAHM
C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000248680828	279211054	/nfs/dbraw/zinc/21/10/54/279211054.db2.gz	OKLNHDXPNQUROG-ZHRONYKTSA-N	-1	3	336.436	0.553	50	0		ECAAHM
Cn1c2[n-]c(=O)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O	ZINC000000381689	435953365	/nfs/dbraw/zinc/95/33/65/435953365.db2.gz	KJVYLNZAXIOLEI-UHFFFAOYSA-N	-1	3	338.726	0.980	50	0		ECAAHM
O=C([O-])[C@H](CC(=O)Nc1ccccc1)CN1CCN(CCO)CC1	ZINC000071282631	436007040	/nfs/dbraw/zinc/00/70/40/436007040.db2.gz	VYCSNCDPXDBUQU-CQSZACIVSA-N	-1	3	335.404	0.326	50	0		ECAAHM
O=C1C[C@@H](Nc2cc(=O)[n-]c(=O)[nH]2)C(=O)N1c1ccccc1Cl	ZINC000071776180	436010649	/nfs/dbraw/zinc/01/06/49/436010649.db2.gz	HPTYSYFZDQQZJS-MRVPVSSYSA-N	-1	3	334.719	0.600	50	0		ECAAHM
O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(CCOCCO)CC1	ZINC000032095519	436234689	/nfs/dbraw/zinc/23/46/89/436234689.db2.gz	JTEBYJQRSKVCNI-KRWDZBQOSA-N	-1	3	347.415	0.920	50	0		ECAAHM
Cn1ccnc1CC[C@@H]1CCCCN1C(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000077542035	436243230	/nfs/dbraw/zinc/24/32/30/436243230.db2.gz	IEEYWAPLMCMCAO-NSHDSACASA-N	-1	3	331.376	0.837	50	0		ECAAHM
CN(Cc1nc(-c2ccccn2)no1)C(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000077356034	436233301	/nfs/dbraw/zinc/23/33/01/436233301.db2.gz	PVXTVFAIWDSBIF-UHFFFAOYSA-N	-1	3	328.288	0.193	50	0		ECAAHM
Cn1c(=O)c2ccc(C(=O)Nc3ccccc3[O-])nc2n(C)c1=O	ZINC000032778307	436245980	/nfs/dbraw/zinc/24/59/80/436245980.db2.gz	BAMLUOUTZXXOKD-UHFFFAOYSA-N	-1	3	326.312	0.590	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)N1CCN(C)CC1	ZINC000044936175	436354131	/nfs/dbraw/zinc/35/41/31/436354131.db2.gz	PJYGDXSTFIUQKP-UHFFFAOYSA-N	-1	3	330.454	0.596	50	0		ECAAHM
Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cc2c(C)nc(C)[n-]c2=O)on1	ZINC000096179536	436519845	/nfs/dbraw/zinc/51/98/45/436519845.db2.gz	GHAZHSBLJBFENJ-DOMZBBRYSA-N	-1	3	346.387	0.600	50	0		ECAAHM
Cc1cc(N2CCN(C(=O)c3ccc[nH]3)C[C@H](C(=O)[O-])C2)nc(N)n1	ZINC000097155649	436537419	/nfs/dbraw/zinc/53/74/19/436537419.db2.gz	AOZAIRSHFDPJSZ-LLVKDONJSA-N	-1	3	344.375	0.359	50	0		ECAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@@H](C)O)cc(C3CC3)nc21	ZINC000097177804	436539925	/nfs/dbraw/zinc/53/99/25/436539925.db2.gz	YWINMEAXGLTLHS-MRVPVSSYSA-N	-1	3	332.360	0.093	50	0		ECAAHM
O=C(CNC(=O)c1ccccn1)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000058222943	436621778	/nfs/dbraw/zinc/62/17/78/436621778.db2.gz	DYSBGYDBXBSIGT-UHFFFAOYSA-N	-1	3	339.311	0.392	50	0		ECAAHM
O=C(CNC(=O)c1ccccn1)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000058222943	436621781	/nfs/dbraw/zinc/62/17/81/436621781.db2.gz	DYSBGYDBXBSIGT-UHFFFAOYSA-N	-1	3	339.311	0.392	50	0		ECAAHM
CCN1C[C@@H](CN(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)Oc2ccccc21	ZINC000108482544	436618771	/nfs/dbraw/zinc/61/87/71/436618771.db2.gz	ROWRMUYCTAOGCP-NEPJUHHUSA-N	-1	3	346.387	0.330	50	0		ECAAHM
CC(C)C(=O)NC1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000065408908	436660320	/nfs/dbraw/zinc/66/03/20/436660320.db2.gz	FOXABSMRBGZJJQ-UHFFFAOYSA-N	-1	3	332.408	0.806	50	0		ECAAHM
O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1c[nH]c(=O)[n-]c1=O	ZINC000221160222	436700197	/nfs/dbraw/zinc/70/01/97/436700197.db2.gz	MLOQIDBVQXNDJL-OLZOCXBDSA-N	-1	3	349.318	0.169	50	0		ECAAHM
CCn1nc(CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)c2ccccc21	ZINC000223379999	436706244	/nfs/dbraw/zinc/70/62/44/436706244.db2.gz	FRRHUMIOQGSJMZ-NSHDSACASA-N	-1	3	329.360	0.661	50	0		ECAAHM
CNS(=O)(=O)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1	ZINC000298992165	437057979	/nfs/dbraw/zinc/05/79/79/437057979.db2.gz	PVNHBZAKLZMRLH-UHFFFAOYSA-N	-1	3	333.797	0.268	50	0		ECAAHM
Cc1n[nH]c(C)c1CCCNC(=O)NCCNc1nc(C)cc(=O)[n-]1	ZINC000426493143	438062792	/nfs/dbraw/zinc/06/27/92/438062792.db2.gz	HVSHFRRGWXSBSQ-UHFFFAOYSA-N	-1	3	347.423	1.174	50	0		ECAAHM
COCCc1noc([C@@H](C)NC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)n1	ZINC000426563103	438065937	/nfs/dbraw/zinc/06/59/37/438065937.db2.gz	RMEKRBUJXZPTEL-MRVPVSSYSA-N	-1	3	348.363	0.849	50	0		ECAAHM
CCOC(=O)CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]C)nc1	ZINC000353316864	438505379	/nfs/dbraw/zinc/50/53/79/438505379.db2.gz	VCKURUAXQLXEDR-UHFFFAOYSA-N	-1	3	329.378	0.015	50	0		ECAAHM
COc1nc(C[N-]S(=O)(=O)Cc2cccc(C)c2)nc(OC)n1	ZINC000575608422	438750373	/nfs/dbraw/zinc/75/03/73/438750373.db2.gz	UIGGSCYNWZBRLP-UHFFFAOYSA-N	-1	3	338.389	0.817	50	0		ECAAHM
C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN[C@H]1CCc2ncnn2C1	ZINC000588084851	438817149	/nfs/dbraw/zinc/81/71/49/438817149.db2.gz	FBBZSZGPAGVQNX-YPMHNXCESA-N	-1	3	329.408	0.411	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCc2nn(CC)c(=O)cc2C1	ZINC000588085154	438817424	/nfs/dbraw/zinc/81/74/24/438817424.db2.gz	BQNGRMHXDUSGNS-UHFFFAOYSA-N	-1	3	344.419	0.288	50	0		ECAAHM
C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCN(C[C@H](C)O)[C@@H](C)C1	ZINC000588080564	438817718	/nfs/dbraw/zinc/81/77/18/438817718.db2.gz	HONCRPNMOVYTPM-SOUVJXGZSA-N	-1	3	349.479	0.601	50	0		ECAAHM
CCCNC(=O)[C@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[n-]2)C1	ZINC000051043438	214076161	/nfs/dbraw/zinc/07/61/61/214076161.db2.gz	AKMORMPKDGOUPY-NSHDSACASA-N	-1	3	332.408	0.395	50	0		ECAAHM
Cc1nc2ncnn2c2ccn(-c3nnc(C(F)(F)F)[n-]3)c(=O)c12	ZINC000080339460	282132198	/nfs/dbraw/zinc/13/21/98/282132198.db2.gz	LDRNEIYCOINOLR-UHFFFAOYSA-N	-1	3	336.237	0.874	50	0		ECAAHM
Cc1nc2ncnn2c2ccn(-c3n[n-]c(C(F)(F)F)n3)c(=O)c12	ZINC000080339460	282132204	/nfs/dbraw/zinc/13/22/04/282132204.db2.gz	LDRNEIYCOINOLR-UHFFFAOYSA-N	-1	3	336.237	0.874	50	0		ECAAHM
Cc1nc2ncnn2c2ccn(-c3nc(C(F)(F)F)n[n-]3)c(=O)c12	ZINC000080339460	282132208	/nfs/dbraw/zinc/13/22/08/282132208.db2.gz	LDRNEIYCOINOLR-UHFFFAOYSA-N	-1	3	336.237	0.874	50	0		ECAAHM
CN1CCN2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C[C@H]2C1=O	ZINC000067841313	215227194	/nfs/dbraw/zinc/22/71/94/215227194.db2.gz	DXROLZHTHMNOPC-HNNXBMFYSA-N	-1	3	340.383	0.127	50	0		ECAAHM
O=S(=O)([N-]CCOCCO)c1ccc(Br)cc1F	ZINC000068741068	215330530	/nfs/dbraw/zinc/33/05/30/215330530.db2.gz	XTDWRRDBBHCAST-UHFFFAOYSA-N	-1	3	342.186	0.875	50	0		ECAAHM
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)CC3	ZINC000036390714	213094780	/nfs/dbraw/zinc/09/47/80/213094780.db2.gz	ZRHRUJWYIGQCKV-AWEZNQCLSA-N	-1	3	326.356	0.959	50	0		ECAAHM
CN(Cc1cc(-c2ccccc2)no1)C(=O)C[C@H]1NC(=O)[N-]C1=O	ZINC000072436375	216231098	/nfs/dbraw/zinc/23/10/98/216231098.db2.gz	ZSMXXLNVMAYKPA-CYBMUJFWSA-N	-1	3	328.328	0.898	50	0		ECAAHM
COc1cccc2c1OCC(CN1C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C1)=C2	ZINC000072469696	216249167	/nfs/dbraw/zinc/24/91/67/216249167.db2.gz	LRRCELQGQOJTBZ-SCLBCKFNSA-N	-1	3	344.367	0.604	50	0		ECAAHM
COc1cc(F)c(S(=O)(=O)[N-]CC(=O)NC(C)C)cc1OC	ZINC000023148607	212355548	/nfs/dbraw/zinc/35/55/48/212355548.db2.gz	VZYCNLRXRLBXNI-UHFFFAOYSA-N	-1	3	334.369	0.646	50	0		ECAAHM
COc1cccc(C(=O)NCC[N-]S(=O)(=O)c2cn(C)cn2)c1	ZINC000206633147	241047064	/nfs/dbraw/zinc/04/70/64/241047064.db2.gz	HWXOWLPIUVNGNA-UHFFFAOYSA-N	-1	3	338.389	0.137	50	0		ECAAHM
c1ncn(CCN2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)n1	ZINC000216128986	241165529	/nfs/dbraw/zinc/16/55/29/241165529.db2.gz	COHWGFYFGHMMLT-UHFFFAOYSA-N	-1	3	339.407	0.276	50	0		ECAAHM
c1ncn(CCN2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1	ZINC000216128986	241165534	/nfs/dbraw/zinc/16/55/34/241165534.db2.gz	COHWGFYFGHMMLT-UHFFFAOYSA-N	-1	3	339.407	0.276	50	0		ECAAHM
Cn1nccc1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000225656655	241973681	/nfs/dbraw/zinc/97/36/81/241973681.db2.gz	LYRRONJNWZFNEK-UHFFFAOYSA-N	-1	3	344.343	0.407	50	0		ECAAHM
Nc1nc(CC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc(=O)[n-]1	ZINC000253535360	244009820	/nfs/dbraw/zinc/00/98/20/244009820.db2.gz	VKRXOIOUUQBGMS-XDMRBOTDSA-N	-1	3	329.360	0.330	50	0		ECAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-]CCN1CCOCC1	ZINC000019812985	212071408	/nfs/dbraw/zinc/07/14/08/212071408.db2.gz	BBDRJXSNTQBLMR-UHFFFAOYSA-N	-1	3	334.825	0.959	50	0		ECAAHM
Cc1cccn2c(=O)c(C(=O)NCCCN3CCOCC3)c([O-])nc12	ZINC000009830138	211127623	/nfs/dbraw/zinc/12/76/23/211127623.db2.gz	FPVQOCYIUAGNHW-UHFFFAOYSA-N	-1	3	346.387	0.161	50	0		ECAAHM
O=C([O-])[C@@H]1CC(=O)NC12CCN(c1cc(N3CCCC3)cnn1)CC2	ZINC000095381002	218313998	/nfs/dbraw/zinc/31/39/98/218313998.db2.gz	NUFIRKFNSWABAJ-ZDUSSCGKSA-N	-1	3	345.403	0.637	50	0		ECAAHM
COc1ccccc1NC(=O)[C@@H](C)OC(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000008851101	211011331	/nfs/dbraw/zinc/01/13/31/211011331.db2.gz	CGNZQORDPLWFIF-MWLCHTKSSA-N	-1	3	349.343	0.554	50	0		ECAAHM
COc1ccccc1NC(=O)[C@@H](C)OC(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000008851106	211012730	/nfs/dbraw/zinc/01/27/30/211012730.db2.gz	CGNZQORDPLWFIF-KOLCDFICSA-N	-1	3	349.343	0.554	50	0		ECAAHM
COc1cccc([C@@]2(CC(=O)[O-])CC(=O)N(CCN(C)C)C2=O)c1	ZINC000299799948	258103628	/nfs/dbraw/zinc/10/36/28/258103628.db2.gz	WTNNTPHWNOPJHR-KRWDZBQOSA-N	-1	3	334.372	0.728	50	0		ECAAHM
COCC(C)(C)[N-]S(=O)(=O)[C@@H]1CS(=O)(=O)c2ccccc21	ZINC000065592846	292203357	/nfs/dbraw/zinc/20/33/57/292203357.db2.gz	CSUFWZUAQSVAHA-GFCCVEGCSA-N	-1	3	333.431	0.859	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3nn(C)cc32)cn1	ZINC000282487763	264048710	/nfs/dbraw/zinc/04/87/10/264048710.db2.gz	METFXIJDISZNJI-GFCCVEGCSA-N	-1	3	349.416	0.531	50	0		ECAAHM
CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC1	ZINC000004083777	279174807	/nfs/dbraw/zinc/17/48/07/279174807.db2.gz	RFDCKFWYWJRVGY-KBPBESRZSA-N	-1	3	341.452	0.824	50	0		ECAAHM
CCN1CC2(CCC1=O)CCN(C(=O)c1cnc(C)[n-]c1=O)CC2	ZINC000091896557	279256201	/nfs/dbraw/zinc/25/62/01/279256201.db2.gz	FIOVTJOZKCIMOC-UHFFFAOYSA-N	-1	3	332.404	0.943	50	0		ECAAHM
CC(C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])S(C)(=O)=O	ZINC000261978554	298183659	/nfs/dbraw/zinc/18/36/59/298183659.db2.gz	ZXLQEOGVDALJIY-NOZJJQNGSA-N	-1	3	338.385	0.713	50	0		ECAAHM
C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1nnc(N)s1	ZINC000244701200	299059891	/nfs/dbraw/zinc/05/98/91/299059891.db2.gz	KCCHWTFLCQPBAS-LURJTMIESA-N	-1	3	347.447	0.338	50	0		ECAAHM
Cc1n[nH]c(CCC(=O)N2CCc3c(nc(N(C)C)[n-]c3=O)C2)c1C	ZINC000071775690	436010476	/nfs/dbraw/zinc/01/04/76/436010476.db2.gz	RMFVVMKARRGABL-UHFFFAOYSA-N	-1	3	344.419	0.693	50	0		ECAAHM
CCOC(=O)Cc1ccc(NC(=O)Nc2c[nH]c(=O)[n-]c2=O)cc1	ZINC000008604242	436032488	/nfs/dbraw/zinc/03/24/88/436032488.db2.gz	IZXXYAJYSLBWCI-UHFFFAOYSA-N	-1	3	332.316	0.813	50	0		ECAAHM
CCOCCN1CCC[C@]2(C(=O)[O-])CN(c3nccc(N)n3)CC[C@@H]12	ZINC000072435337	436045994	/nfs/dbraw/zinc/04/59/94/436045994.db2.gz	AQUPRYYXHUMUQD-DYVFJYSZSA-N	-1	3	349.435	0.841	50	0		ECAAHM
Cc1c([O-])ccc2c(C)c(CC(=O)N3CCNC(=O)C3)c(=O)oc12	ZINC000012900488	436056612	/nfs/dbraw/zinc/05/66/12/436056612.db2.gz	JHVDRSKIMIGCNK-UHFFFAOYSA-N	-1	3	330.340	0.616	50	0		ECAAHM
NC(=O)[C@@H]1CC(C(=O)Nc2ncccc2[O-])=NN1c1ccccc1	ZINC000030516283	436217999	/nfs/dbraw/zinc/21/79/99/436217999.db2.gz	SLXFRXOAFFWVON-LBPRGKRZSA-N	-1	3	325.328	0.846	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c(=O)[n-]1	ZINC000031416635	436227667	/nfs/dbraw/zinc/22/76/67/436227667.db2.gz	XINHVDNTMMSPOM-UHFFFAOYSA-N	-1	3	344.371	0.507	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCN1CCc2ccccc2C1	ZINC000045918406	436381333	/nfs/dbraw/zinc/38/13/33/436381333.db2.gz	LEPRSGPXWFNYRX-AWEZNQCLSA-N	-1	3	330.388	0.149	50	0		ECAAHM
CN1C[C@H]2CN(S(=O)(=O)Cc3ccccc3F)C[C@@]2(C(=O)[O-])C1	ZINC000096132646	436515977	/nfs/dbraw/zinc/51/59/77/436515977.db2.gz	ZOHYPZXJIAOHAG-WFASDCNBSA-N	-1	3	342.392	0.604	50	0		ECAAHM
Cc1ccc(CS(=O)(=O)N2C[C@@H]3CN(C)C[C@]3(C(=O)[O-])C2)cc1	ZINC000096140709	436516246	/nfs/dbraw/zinc/51/62/46/436516246.db2.gz	RMZFJQXTQGDYHG-HOCLYGCPSA-N	-1	3	338.429	0.773	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)c(=O)[n-]1	ZINC000095366091	436492347	/nfs/dbraw/zinc/49/23/47/436492347.db2.gz	NRUBYDRSAHBWCP-CYBMUJFWSA-N	-1	3	340.383	0.851	50	0		ECAAHM
Cc1cc2ncc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)c(=O)n2[n-]1	ZINC000102370936	436552406	/nfs/dbraw/zinc/55/24/06/436552406.db2.gz	PZQDCTYSRWDALL-CYBMUJFWSA-N	-1	3	347.419	0.514	50	0		ECAAHM
CCc1ccc([O-])c(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1	ZINC000058280781	436623652	/nfs/dbraw/zinc/62/36/52/436623652.db2.gz	RZMOXXHBWRVLRV-UHFFFAOYSA-N	-1	3	345.399	0.518	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCC(=O)N(C)CCC(C)C)cn1C	ZINC000058393876	436625186	/nfs/dbraw/zinc/62/51/86/436625186.db2.gz	WSSNHGDYTNLGIJ-UHFFFAOYSA-N	-1	3	330.454	0.901	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCC(C(=O)NC(C)(C)C)CC1)[n-]c2=O	ZINC000065415470	436659845	/nfs/dbraw/zinc/65/98/45/436659845.db2.gz	ODCARMNLZROKFD-UHFFFAOYSA-N	-1	3	346.435	0.783	50	0		ECAAHM
COC(=O)Cc1n[n-]c(NC(=O)[C@H]2CCN2Cc2ccccc2)n1	ZINC000240244166	436758047	/nfs/dbraw/zinc/75/80/47/436758047.db2.gz	DKMCQTUOQBHPNW-GFCCVEGCSA-N	-1	3	329.360	0.733	50	0		ECAAHM
COC(=O)Cc1nc(NC(=O)[C@H]2CCN2Cc2ccccc2)n[n-]1	ZINC000240244166	436758050	/nfs/dbraw/zinc/75/80/50/436758050.db2.gz	DKMCQTUOQBHPNW-GFCCVEGCSA-N	-1	3	329.360	0.733	50	0		ECAAHM
COC(=O)Cc1nnc(NC(=O)[C@H]2CCN2Cc2ccccc2)[n-]1	ZINC000240244166	436758053	/nfs/dbraw/zinc/75/80/53/436758053.db2.gz	DKMCQTUOQBHPNW-GFCCVEGCSA-N	-1	3	329.360	0.733	50	0		ECAAHM
COc1ccc(S(=O)(=O)N2CC(n3c([O-])coc3=O)C2)cc1C	ZINC000245060725	436761167	/nfs/dbraw/zinc/76/11/67/436761167.db2.gz	PXVREYDJBCSSFR-UHFFFAOYSA-N	-1	3	340.357	0.355	50	0		ECAAHM
COCCOCC[N-]S(=O)(=O)[C@@H]1CS(=O)(=O)c2ccccc21	ZINC000069416572	436771076	/nfs/dbraw/zinc/77/10/76/436771076.db2.gz	YFNUHBWLUYFDIN-CYBMUJFWSA-N	-1	3	349.430	0.097	50	0		ECAAHM
COCCN1CCN(CC(=O)N=c2cc[n-]n2[C@@H](C)C2CC2)C[C@@H]1C	ZINC000252475025	436831630	/nfs/dbraw/zinc/83/16/30/436831630.db2.gz	QUNMFISAKYIYQJ-GJZGRUSLSA-N	-1	3	349.479	0.867	50	0		ECAAHM
Cc1cc2c(cc1C(=O)N1C[C@H](N(C)C)C[C@H]1C(=O)[O-])OCCO2	ZINC000252494404	436833537	/nfs/dbraw/zinc/83/35/37/436833537.db2.gz	NUNHBKMZTMVQDT-YPMHNXCESA-N	-1	3	334.372	0.996	50	0		ECAAHM
Cc1cccc(Cn2[n-]ccc2=NC(=O)CN2CC[C@H](C(N)=O)C2)c1	ZINC000252497840	436836644	/nfs/dbraw/zinc/83/66/44/436836644.db2.gz	CZBJDARXISTHMZ-HNNXBMFYSA-N	-1	3	341.415	0.407	50	0		ECAAHM
O=C(Cn1cc(Cl)c(=O)[n-]c1=O)NC(=O)NCc1cccs1	ZINC000174126659	437074860	/nfs/dbraw/zinc/07/48/60/437074860.db2.gz	NNFUVEIWUFDUDH-UHFFFAOYSA-N	-1	3	342.764	0.278	50	0		ECAAHM
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1nc(C)ccc1[O-]	ZINC000330573300	437555880	/nfs/dbraw/zinc/55/58/80/437555880.db2.gz	KPACLYQHDGUCFU-GFCCVEGCSA-N	-1	3	341.433	0.221	50	0		ECAAHM
C[C@@H](CCC(=O)NC1(C(=O)[O-])CCOCC1)N1CCN(C)CC1	ZINC000426490629	438060650	/nfs/dbraw/zinc/06/06/50/438060650.db2.gz	SOQKUTXFEVQETM-ZDUSSCGKSA-N	-1	3	327.425	0.153	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H](OC)C2CC2)cn1	ZINC000408520765	438581186	/nfs/dbraw/zinc/58/11/86/438581186.db2.gz	WCNCXUIARQRCDO-RNCFNFMXSA-N	-1	3	327.406	0.533	50	0		ECAAHM
CC[C@H](NC(=O)CCn1cc(C(N)=O)c(=O)[n-]c1=O)c1ccccc1	ZINC000585121249	439633082	/nfs/dbraw/zinc/63/30/82/439633082.db2.gz	JTAANSUAKSSBHI-ZDUSSCGKSA-N	-1	3	344.371	0.705	50	0		ECAAHM
CCc1nc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)cn1CC1CC1	ZINC000585094216	546287708	/nfs/dbraw/zinc/28/77/08/546287708.db2.gz	REQNTUREIFRUOH-AWEZNQCLSA-N	-1	3	329.422	0.285	50	0		ECAAHM
CCc1nc(S(=O)(=O)[N-]CCCCCN2CCOCC2)c[nH]1	ZINC000670455056	548016083	/nfs/dbraw/zinc/01/60/83/548016083.db2.gz	DTSQEZIOBGDPOA-UHFFFAOYSA-N	-1	3	330.454	0.753	50	0		ECAAHM
Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)N1S(=O)(=O)c1cn(C)cn1	ZINC000675011210	741324551	/nfs/dbraw/zinc/32/45/51/741324551.db2.gz	QNNNYCGAIGIQMV-MNOVXSKESA-N	-1	3	349.416	0.545	50	0		ECAAHM
CCOCCn1c2ncc(C(=O)[O-])cc2n(CCCN(C)C)c1=O	ZINC000055119993	214276348	/nfs/dbraw/zinc/27/63/48/214276348.db2.gz	NIMQMLLSQAJFNJ-UHFFFAOYSA-N	-1	3	336.392	0.884	50	0		ECAAHM
COC(=O)c1ccc(S(=O)(=O)[N-]CCNC(C)=O)c(Cl)c1	ZINC000058265803	214521663	/nfs/dbraw/zinc/52/16/63/214521663.db2.gz	CSAHLNKSGDVIPH-UHFFFAOYSA-N	-1	3	334.781	0.541	50	0		ECAAHM
O=C1C[C@H](Nc2cc(=O)[n-]c(=O)[nH]2)C(=O)N1c1ccccc1Cl	ZINC000100593932	219103075	/nfs/dbraw/zinc/10/30/75/219103075.db2.gz	JXERPFJWDKQVHB-QMMMGPOBSA-N	-1	3	334.719	0.461	50	0		ECAAHM
CCN1CCN([C@H](C)C[N-]S(=O)(=O)c2ncn(C)c2Cl)CC1	ZINC000040527729	213336446	/nfs/dbraw/zinc/33/64/46/213336446.db2.gz	NHKUZUQBZRKBHE-LLVKDONJSA-N	-1	3	349.888	0.378	50	0		ECAAHM
CCOC(=O)CCn1cc(I)c(=O)[n-]c1=O	ZINC000000292460	209521703	/nfs/dbraw/zinc/52/17/03/209521703.db2.gz	BGFOIJUSMUQFKD-UHFFFAOYSA-N	-1	3	338.101	0.094	50	0		ECAAHM
CC(=O)C1(c2ccccc2)CCN(C(=O)C[C@H]2NC(=O)[N-]C2=O)CC1	ZINC000072457633	216241927	/nfs/dbraw/zinc/24/19/27/216241927.db2.gz	NOIIXVDVTPWXBS-CQSZACIVSA-N	-1	3	343.383	0.734	50	0		ECAAHM
Cc1nccn1CCCNC(=O)c1ccc(-n2cnnn2)cc1[O-]	ZINC000215100365	241104318	/nfs/dbraw/zinc/10/43/18/241104318.db2.gz	JVCVZVNCPXUSSY-UHFFFAOYSA-N	-1	3	327.348	0.693	50	0		ECAAHM
Cn1cc(C(=O)NCCOc2cccc3cccnc32)c(=O)[n-]c1=O	ZINC000218962435	241354881	/nfs/dbraw/zinc/35/48/81/241354881.db2.gz	JUFKHGFDSVVPCS-UHFFFAOYSA-N	-1	3	340.339	0.431	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C1CC(O)C1	ZINC000219130611	241368071	/nfs/dbraw/zinc/36/80/71/241368071.db2.gz	ZYWWJIGMBZFYKM-KGPNIALWSA-N	-1	3	340.405	0.815	50	0		ECAAHM
O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cc(=O)[n-]c(=O)[nH]1	ZINC000253534763	244006228	/nfs/dbraw/zinc/00/62/28/244006228.db2.gz	ASFOBTQTUDPXDF-DLOVCJGASA-N	-1	3	330.344	0.395	50	0		ECAAHM
COc1cc2nc(O)c(C(=O)NCCN(C)C)c([O-])c2cc1OC	ZINC000019939807	212088652	/nfs/dbraw/zinc/08/86/52/212088652.db2.gz	YTDMQYZYDDTHRZ-UHFFFAOYSA-N	-1	3	335.360	0.542	50	0		ECAAHM
COC(=O)c1ccc(S(=O)(=O)[N-]CCCS(C)(=O)=O)s1	ZINC000040556372	213351270	/nfs/dbraw/zinc/35/12/70/213351270.db2.gz	MGLPURWGZQAMGG-UHFFFAOYSA-N	-1	3	341.432	0.248	50	0		ECAAHM
Cc1nc(CNC(=O)Cn2nc(C)c3ccccc3c2=O)cc(=O)[n-]1	ZINC000091645559	218038930	/nfs/dbraw/zinc/03/89/30/218038930.db2.gz	QQYCZPNQRCQVLR-UHFFFAOYSA-N	-1	3	339.355	0.413	50	0		ECAAHM
CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000299749074	258007675	/nfs/dbraw/zinc/00/76/75/258007675.db2.gz	JCZPCQOEFBJNJG-MRXNPFEDSA-N	-1	3	349.431	0.362	50	0		ECAAHM
C[C@@H]1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CCN1	ZINC000188387460	263161748	/nfs/dbraw/zinc/16/17/48/263161748.db2.gz	ZYIRMYLLVORMFC-LLVKDONJSA-N	-1	3	328.372	0.491	50	0		ECAAHM
Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000071840000	436017721	/nfs/dbraw/zinc/01/77/21/436017721.db2.gz	AAIBQQHBDQBDDS-AAEUAGOBSA-N	-1	3	341.371	0.835	50	0		ECAAHM
Cc1ccc([O-])c(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1	ZINC000071914172	436030642	/nfs/dbraw/zinc/03/06/42/436030642.db2.gz	QWYRUDOFNJGOAO-AWEZNQCLSA-N	-1	3	347.415	0.364	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCN(c2ccccc2F)CC1	ZINC000015433386	436081314	/nfs/dbraw/zinc/08/13/14/436081314.db2.gz	YZTAWHNTVMIFJE-GFCCVEGCSA-N	-1	3	334.351	0.463	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC(OCc2cccnc2)CC1	ZINC000077487298	436240040	/nfs/dbraw/zinc/24/00/40/436240040.db2.gz	WOHHUQWLGQEZMO-CQSZACIVSA-N	-1	3	346.387	0.577	50	0		ECAAHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@H](CNc3cccnn3)C2)on1	ZINC000076049812	436188815	/nfs/dbraw/zinc/18/88/15/436188815.db2.gz	RHBBLNFRYFUWAO-CHWSQXEVSA-N	-1	3	346.391	0.913	50	0		ECAAHM
Cc1nc(C)c(CC(=O)Nc2ccc(N3CCOCC3)cn2)c(=O)[n-]1	ZINC000031275222	436227166	/nfs/dbraw/zinc/22/71/66/436227166.db2.gz	WJUVORFMODQWJN-UHFFFAOYSA-N	-1	3	343.387	0.800	50	0		ECAAHM
COc1ccc(CCN(C)C(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1OC	ZINC000041958897	436289816	/nfs/dbraw/zinc/28/98/16/436289816.db2.gz	MCDMGGHFNAQWRT-GFCCVEGCSA-N	-1	3	349.387	0.693	50	0		ECAAHM
COc1ccc2[n-]cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)c2c1	ZINC000044889804	436350493	/nfs/dbraw/zinc/35/04/93/436350493.db2.gz	FROZJYSGWVUYKE-VIFPVBQESA-N	-1	3	336.369	0.454	50	0		ECAAHM
C[C@@H](C1CC1)N(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000089894147	436419409	/nfs/dbraw/zinc/41/94/09/436419409.db2.gz	ZLLDVAARGXRFRG-ZETCQYMHSA-N	-1	3	330.182	0.556	50	0		ECAAHM
Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC(=O)N(C)C	ZINC000058265824	436622244	/nfs/dbraw/zinc/62/22/44/436622244.db2.gz	TVLSKZOQYADIEB-UHFFFAOYSA-N	-1	3	343.387	0.277	50	0		ECAAHM
CN1CC[C@H](CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)c2ccccc21	ZINC000108483114	436619823	/nfs/dbraw/zinc/61/98/23/436619823.db2.gz	GAEDBWMKUFNMPZ-YPMHNXCESA-N	-1	3	330.388	0.715	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCCC[C@H]1C(=O)N1CCCC1)[n-]c2=O	ZINC000065412520	436659027	/nfs/dbraw/zinc/65/90/27/436659027.db2.gz	YHPRWZBXZIZJGC-ZDUSSCGKSA-N	-1	3	344.419	0.634	50	0		ECAAHM
C[C@@H](C(=O)NCc1c[nH]c(=O)[n-]c1=O)N1CCc2ccccc2C1	ZINC000220061207	436697873	/nfs/dbraw/zinc/69/78/73/436697873.db2.gz	NTDCVIVPZNZMMM-NSHDSACASA-N	-1	3	328.372	0.126	50	0		ECAAHM
Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)n1	ZINC000065459652	436662564	/nfs/dbraw/zinc/66/25/64/436662564.db2.gz	DSQJWCRZELIUNA-FZKQIMNGSA-N	-1	3	345.399	0.851	50	0		ECAAHM
Cc1ccc([O-])c(C[N@H+]2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)n1	ZINC000065459652	436662567	/nfs/dbraw/zinc/66/25/67/436662567.db2.gz	DSQJWCRZELIUNA-FZKQIMNGSA-N	-1	3	345.399	0.851	50	0		ECAAHM
CN(CC(=O)[O-])[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)C[C@H]1O	ZINC000240551429	436757612	/nfs/dbraw/zinc/75/76/12/436757612.db2.gz	GTPJSHABQFXJGK-HZPDHXFCSA-N	-1	3	343.383	0.883	50	0		ECAAHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCn3nccc3C2)s1	ZINC000245015135	436760526	/nfs/dbraw/zinc/76/05/26/436760526.db2.gz	LNLDQTZGDZZJNT-VIFPVBQESA-N	-1	3	341.418	0.591	50	0		ECAAHM
COCCN1CCN(CC(=O)N=c2cc[n-]n2[C@H](C)C2CC2)C[C@H]1C	ZINC000252475026	436830737	/nfs/dbraw/zinc/83/07/37/436830737.db2.gz	QUNMFISAKYIYQJ-HUUCEWRRSA-N	-1	3	349.479	0.867	50	0		ECAAHM
O=C(NCc1nnn[n-]1)NC[C@H](c1ccc(F)cc1)N1CCCC1	ZINC000426691352	438070670	/nfs/dbraw/zinc/07/06/70/438070670.db2.gz	WBKCYJJBCQASST-CYBMUJFWSA-N	-1	3	333.371	0.975	50	0		ECAAHM
O=C(NCc1nn[n-]n1)NC[C@H](c1ccc(F)cc1)N1CCCC1	ZINC000426691352	438070672	/nfs/dbraw/zinc/07/06/72/438070672.db2.gz	WBKCYJJBCQASST-CYBMUJFWSA-N	-1	3	333.371	0.975	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]C[C@](O)(c2ccoc2)c2ccco2)c1	ZINC000390827450	438433569	/nfs/dbraw/zinc/43/35/69/438433569.db2.gz	XYGOLQOEZKCDSP-AWEZNQCLSA-N	-1	3	337.357	0.821	50	0		ECAAHM
CS(=O)(=O)N1CCN(C(=O)c2nnc3ccccc3c2[O-])CC1	ZINC000408512875	438580804	/nfs/dbraw/zinc/58/08/04/438580804.db2.gz	LNJJWTMKGZAIQZ-UHFFFAOYSA-N	-1	3	336.373	0.053	50	0		ECAAHM
O=C([C@@H]1CCc2ccccc2O1)N1CC(Cn2c([O-])coc2=O)C1	ZINC000575617216	438751517	/nfs/dbraw/zinc/75/15/17/438751517.db2.gz	UNTMRFRCPKFBGD-AWEZNQCLSA-N	-1	3	330.340	0.817	50	0		ECAAHM
CC(C)CCC[C@@H](C)NC(=O)CCn1cc(C(N)=O)c(=O)[n-]c1=O	ZINC000585132472	439633870	/nfs/dbraw/zinc/63/38/70/439633870.db2.gz	XODOHGQDDWVQLE-LLVKDONJSA-N	-1	3	338.408	0.769	50	0		ECAAHM
Cc1nc2c(c(=O)[n-]1)CN(C1CCN(C(=O)[C@@H]3CCCO3)CC1)C2	ZINC000584887802	439624795	/nfs/dbraw/zinc/62/47/95/439624795.db2.gz	FRLYKOOXLQUBOJ-HNNXBMFYSA-N	-1	3	332.404	0.976	50	0		ECAAHM
CC(C)[C@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)N1CCCC1	ZINC000670462589	548016669	/nfs/dbraw/zinc/01/66/69/548016669.db2.gz	PNQPBLRBPKMDMB-AWEZNQCLSA-N	-1	3	347.481	0.738	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCC[C@@H](C(=O)NCC3CC3)C1)[n-]c2=O	ZINC000052828340	214148509	/nfs/dbraw/zinc/14/85/09/214148509.db2.gz	MZGXOGBBJVQRDT-GFCCVEGCSA-N	-1	3	344.419	0.395	50	0		ECAAHM
Cn1ncc2c1nc(CN(C[C@H]1CCCO1)C[C@H]1CCCO1)[n-]c2=O	ZINC000052828178	214148882	/nfs/dbraw/zinc/14/88/82/214148882.db2.gz	GELBRNCKBJIOPS-CHWSQXEVSA-N	-1	3	347.419	0.817	50	0		ECAAHM
NC(=O)C1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCOCC1	ZINC000055246072	214294912	/nfs/dbraw/zinc/29/49/12/214294912.db2.gz	IWHXMEYSTUKRQV-UHFFFAOYSA-N	-1	3	338.838	0.962	50	0		ECAAHM
Cn1c2[nH]c(=S)n(C[C@@H](O)COc3ccccc3)c2c(=O)[n-]c1=O	ZINC000100639732	219103488	/nfs/dbraw/zinc/10/34/88/219103488.db2.gz	BDHANQWERUNOJW-SECBINFHSA-N	-1	3	348.384	0.152	50	0		ECAAHM
CCCN(Cc1nc2c(cnn2C)c(=O)[n-]1)[C@H]1CCS(=O)(=O)C1	ZINC000065434449	214908527	/nfs/dbraw/zinc/90/85/27/214908527.db2.gz	MQZKGLWOSOXRFO-JTQLQIEISA-N	-1	3	339.421	0.056	50	0		ECAAHM
C[C@H](Cn1cnc2ccccc2c1=O)NCCn1[n-]c(=O)ccc1=O	ZINC000067982003	215266121	/nfs/dbraw/zinc/26/61/21/215266121.db2.gz	MDCWLTVXZVPFDM-GFCCVEGCSA-N	-1	3	341.371	0.337	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-][C@@H]2CC(=O)N(c3ccccc3)C2)cn1C	ZINC000072137121	216024629	/nfs/dbraw/zinc/02/46/29/216024629.db2.gz	GRZYJYGNTOAGPZ-GFCCVEGCSA-N	-1	3	334.401	0.812	50	0		ECAAHM
O=C(c1ccccc1-c1nnn[n-]1)N1CCC[C@]2(CNC(=O)O2)C1	ZINC000072170208	216061626	/nfs/dbraw/zinc/06/16/26/216061626.db2.gz	PVZRTKDPHKXKKF-HNNXBMFYSA-N	-1	3	328.332	0.581	50	0		ECAAHM
O=C(c1ccccc1-c1nn[n-]n1)N1CCC[C@]2(CNC(=O)O2)C1	ZINC000072170208	216061631	/nfs/dbraw/zinc/06/16/31/216061631.db2.gz	PVZRTKDPHKXKKF-HNNXBMFYSA-N	-1	3	328.332	0.581	50	0		ECAAHM
CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)Nc1nc[nH]n1	ZINC000218518324	241328585	/nfs/dbraw/zinc/32/85/85/241328585.db2.gz	WOKGMBNSULYAQL-UHFFFAOYSA-N	-1	3	334.361	0.770	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N2CCC(O)(Cn3ccnc3)CC2)c(=O)[n-]1	ZINC000219019285	241360076	/nfs/dbraw/zinc/36/00/76/241360076.db2.gz	LNBMIYCUQDVTGD-UHFFFAOYSA-N	-1	3	345.403	0.179	50	0		ECAAHM
O=C(NCCCN1CCOCC1)[C@H]1CC(c2ccccc2[O-])=NO1	ZINC000020028795	212094837	/nfs/dbraw/zinc/09/48/37/212094837.db2.gz	WNLQHUGEEQTITO-MRXNPFEDSA-N	-1	3	333.388	0.724	50	0		ECAAHM
O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)[C@H]1CCCO1	ZINC000012391635	211366454	/nfs/dbraw/zinc/36/64/54/211366454.db2.gz	BPCGINPCXYPUEY-CYBMUJFWSA-N	-1	3	339.355	0.904	50	0		ECAAHM
Cc1ncc(C(=O)NCc2nncn2CCc2ccccc2)c(=O)[n-]1	ZINC000091424913	218003191	/nfs/dbraw/zinc/00/31/91/218003191.db2.gz	APRQOQSHXDOXND-UHFFFAOYSA-N	-1	3	338.371	0.843	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NC1CCN(c2ccccc2F)CC1	ZINC000091526267	218017742	/nfs/dbraw/zinc/01/77/42/218017742.db2.gz	PKXBVVWVTRKQSM-ZDUSSCGKSA-N	-1	3	348.378	0.899	50	0		ECAAHM
COc1c(C)cnc(CN(C)C(=O)CC[C@@H]2NC(=O)[N-]C2=O)c1C	ZINC000091724602	218053629	/nfs/dbraw/zinc/05/36/29/218053629.db2.gz	GNHRXEURMMRHLC-NSHDSACASA-N	-1	3	334.376	0.654	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCCN(c2ccc(F)cc2)CC1	ZINC000092028224	218106021	/nfs/dbraw/zinc/10/60/21/218106021.db2.gz	MIIWHSVEDOLBEM-CQSZACIVSA-N	-1	3	348.378	0.853	50	0		ECAAHM
Nc1cc(=O)[n-]c(CCNC(=O)[C@@H](c2cccnc2)N2CCCC2)n1	ZINC000095389136	218320691	/nfs/dbraw/zinc/32/06/91/218320691.db2.gz	CTGWISLZQUBJFM-MRXNPFEDSA-N	-1	3	342.403	0.243	50	0		ECAAHM
O=C(CN1CCN(C(=O)c2cccc([O-])c2)CC1)N1CCOCC1	ZINC000095407619	218343835	/nfs/dbraw/zinc/34/38/35/218343835.db2.gz	HBPNGXPVHWXYDA-UHFFFAOYSA-N	-1	3	333.388	0.009	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H]2C(=O)[O-])CC1=O	ZINC000262692466	285254625	/nfs/dbraw/zinc/25/46/25/285254625.db2.gz	GRXLBYMBDBBBCD-BFHYXJOUSA-N	-1	3	337.420	0.395	50	0		ECAAHM
CO[C@]12CCN(Cc3cnc(N)nc3)[C@H]1C[C@@H](OCC(=O)[O-])CC2	ZINC000299796834	258101053	/nfs/dbraw/zinc/10/10/53/258101053.db2.gz	QXKCQPZWVFVNCG-HEHGZKQESA-N	-1	3	336.392	0.672	50	0		ECAAHM
CO[C@]12CCN(C(=O)Cc3c(C)nc(C)[n-]c3=O)[C@H]1C[C@@H](O)CC2	ZINC000299797375	258101503	/nfs/dbraw/zinc/10/15/03/258101503.db2.gz	NVGMTQLNDLDUQV-RVSPLBMKSA-N	-1	3	335.404	0.872	50	0		ECAAHM
O=C([O-])C[C@H]1CN(CC(=O)NCc2cccs2)C[C@H]1c1c[nH]nn1	ZINC000299765086	258080101	/nfs/dbraw/zinc/08/01/01/258080101.db2.gz	VDVKRLMZOTVPRB-CMPLNLGQSA-N	-1	3	349.416	0.673	50	0		ECAAHM
CC(C)[C@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)C(N)=O	ZINC000230272630	280328139	/nfs/dbraw/zinc/32/81/39/280328139.db2.gz	URRJIEXURAYXOY-WBIUFABUSA-N	-1	3	330.450	0.811	50	0		ECAAHM
C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000002637970	435968207	/nfs/dbraw/zinc/96/82/07/435968207.db2.gz	WZMDLDFVJKKFKV-NSHDSACASA-N	-1	3	345.355	0.358	50	0		ECAAHM
O=C(COc1ccc(Br)cc1)Nc1c[nH]c(=O)[n-]c1=O	ZINC000000094238	435948679	/nfs/dbraw/zinc/94/86/79/435948679.db2.gz	PQVVREJOQYJMBI-UHFFFAOYSA-N	-1	3	340.133	0.843	50	0		ECAAHM
O=C(CC[N-]S(=O)(=O)c1cccc2nonc21)NC1CCCC1	ZINC000000212839	435952364	/nfs/dbraw/zinc/95/23/64/435952364.db2.gz	KJOHKIGDIGEDLR-UHFFFAOYSA-N	-1	3	338.389	0.950	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)NCc1cccnc1OCC(F)(F)F	ZINC000069626189	435954375	/nfs/dbraw/zinc/95/43/75/435954375.db2.gz	MBBCPGYKMTTWLC-UHFFFAOYSA-N	-1	3	346.265	0.191	50	0		ECAAHM
Cc1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)c([O-])c1	ZINC000071847174	436019116	/nfs/dbraw/zinc/01/91/16/436019116.db2.gz	MFAQLCUBJHYKII-UHFFFAOYSA-N	-1	3	326.418	0.503	50	0		ECAAHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@H](Cn3nc(C)nc3C)C2)on1	ZINC000072253479	436036418	/nfs/dbraw/zinc/03/64/18/436036418.db2.gz	DWPKWFQNYJCNER-RISCZKNCSA-N	-1	3	348.407	0.919	50	0		ECAAHM
CCc1[nH]nc(S(=O)(=O)[N-]CCc2ccccn2)c1C(=O)OC	ZINC000075343930	436161533	/nfs/dbraw/zinc/16/15/33/436161533.db2.gz	HKELVRPOHRRDKB-UHFFFAOYSA-N	-1	3	338.389	0.675	50	0		ECAAHM
CS(=O)(=O)N1CCC(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1	ZINC000029389745	436201152	/nfs/dbraw/zinc/20/11/52/436201152.db2.gz	JCYPINXWUZBAQC-UHFFFAOYSA-N	-1	3	341.315	0.434	50	0		ECAAHM
CS(=O)(=O)N1CCC(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1	ZINC000029389745	436201155	/nfs/dbraw/zinc/20/11/55/436201155.db2.gz	JCYPINXWUZBAQC-UHFFFAOYSA-N	-1	3	341.315	0.434	50	0		ECAAHM
Cc1nc(C)c(CC(=O)NC[C@H]2COc3ccccc3O2)c(=O)[n-]1	ZINC000031214093	436225752	/nfs/dbraw/zinc/22/57/52/436225752.db2.gz	POZYOVGDWNRVGR-LBPRGKRZSA-N	-1	3	329.356	0.885	50	0		ECAAHM
COc1ccc(CCN(C)C(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1OC	ZINC000041958900	436289229	/nfs/dbraw/zinc/28/92/29/436289229.db2.gz	MCDMGGHFNAQWRT-LBPRGKRZSA-N	-1	3	349.387	0.693	50	0		ECAAHM
CN(Cc1cnn(-c2ccccc2)c1)C(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000042816312	436318881	/nfs/dbraw/zinc/31/88/81/436318881.db2.gz	AADPKNBBMCWDMF-ZDUSSCGKSA-N	-1	3	327.344	0.429	50	0		ECAAHM
COc1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c([O-])c1	ZINC000045319719	436364408	/nfs/dbraw/zinc/36/44/08/436364408.db2.gz	XETPKYYXBYVJHC-UHFFFAOYSA-N	-1	3	328.390	0.508	50	0		ECAAHM
O=C1COc2cc(S(=O)(=O)[N-]C[C@H]3CCOC3)c(Cl)cc2N1	ZINC000045743033	436374690	/nfs/dbraw/zinc/37/46/90/436374690.db2.gz	ZWIGMZMLBRPIBM-MRVPVSSYSA-N	-1	3	346.792	0.986	50	0		ECAAHM
O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2ccccn2)n[n-]1	ZINC000058331417	436624578	/nfs/dbraw/zinc/62/45/78/436624578.db2.gz	AVWZJCXFATZLPD-UHFFFAOYSA-N	-1	3	336.311	0.835	50	0		ECAAHM
O=c1ccc(-c2csc(S(=O)(=O)[N-]C[C@H]3CCCO3)c2)n[nH]1	ZINC000065119350	436651129	/nfs/dbraw/zinc/65/11/29/436651129.db2.gz	UEHVHMKVAMYEJA-SNVBAGLBSA-N	-1	3	341.414	0.956	50	0		ECAAHM
COc1ccc(O)cc1CN1C[C@@H]2CN(C(C)=O)C[C@]2(C(=O)[O-])C1	ZINC000065395554	436658723	/nfs/dbraw/zinc/65/87/23/436658723.db2.gz	XIYGZIPHCSVEHK-CXAGYDPISA-N	-1	3	334.372	0.766	50	0		ECAAHM
CC[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1[O-])c1cnn(C)c1	ZINC000221447389	436701169	/nfs/dbraw/zinc/70/11/69/436701169.db2.gz	CVGRXFPFQDUHCR-CYBMUJFWSA-N	-1	3	327.348	0.983	50	0		ECAAHM
O=C(CN1CSCC1=O)N1CCN(C(=O)c2cccc([O-])c2)CC1	ZINC000069434858	436773308	/nfs/dbraw/zinc/77/33/08/436773308.db2.gz	OTSVOWDUVYWIMT-UHFFFAOYSA-N	-1	3	349.412	0.210	50	0		ECAAHM
CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1=O	ZINC000287306670	437177973	/nfs/dbraw/zinc/17/79/73/437177973.db2.gz	JTPLRJUZZHALGI-ZCFIWIBFSA-N	-1	3	337.279	0.136	50	0		ECAAHM
COc1nc(C[N-]S(=O)(=O)/C=C/c2ccccc2)nc(OC)n1	ZINC000575607766	438750802	/nfs/dbraw/zinc/75/08/02/438750802.db2.gz	QHMCDVYJHOIUSZ-CMDGGOBGSA-N	-1	3	336.373	0.979	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN[C@@H]1CCc2nc(CC)nn2C1	ZINC000588079236	438816033	/nfs/dbraw/zinc/81/60/33/438816033.db2.gz	JWMQPXCEZGPXLV-GFCCVEGCSA-N	-1	3	331.424	0.412	50	0		ECAAHM
C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCC[C@@H]1Cn1cncn1	ZINC000588079240	438816418	/nfs/dbraw/zinc/81/64/18/438816418.db2.gz	JVJKOSUHQNTFAO-UKRRQHHQSA-N	-1	3	343.435	0.971	50	0		ECAAHM
C[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CS(=O)(=O)[N-]Cc2ccco2)C1	ZINC000521397004	439117610	/nfs/dbraw/zinc/11/76/10/439117610.db2.gz	GBDNWGIGWWLYKU-KWCYVHTRSA-N	-1	3	342.417	0.582	50	0		ECAAHM
CCn1cnnc1CCNC(=O)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1	ZINC000534577293	439529527	/nfs/dbraw/zinc/52/95/27/439529527.db2.gz	FNZGKETXTRAJEN-GFCCVEGCSA-N	-1	3	345.407	0.925	50	0		ECAAHM
COC(=O)c1ncccc1S(=O)(=O)[N-]CC(C)(C)CCCO	ZINC000585142180	439635877	/nfs/dbraw/zinc/63/58/77/439635877.db2.gz	QXHMFIIUYZZZOT-UHFFFAOYSA-N	-1	3	330.406	0.945	50	0		ECAAHM
Cn1ncc2c1nc(CN1CCC[C@H](C(=O)NCC3CC3)C1)[n-]c2=O	ZINC000052828339	214148045	/nfs/dbraw/zinc/14/80/45/214148045.db2.gz	MZGXOGBBJVQRDT-LBPRGKRZSA-N	-1	3	344.419	0.395	50	0		ECAAHM
Cc1cc(=O)[n-]c(CNC(=O)C(C)(C)NC(=O)c2cccs2)n1	ZINC000055099824	214273608	/nfs/dbraw/zinc/27/36/08/214273608.db2.gz	NIUUBCPSBUEUFA-UHFFFAOYSA-N	-1	3	334.401	0.965	50	0		ECAAHM
O=C([O-])CN1CCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C[C@@H](O)C1	ZINC000097757764	219054594	/nfs/dbraw/zinc/05/45/94/219054594.db2.gz	NGSZZYTZLDAWAL-AWEZNQCLSA-N	-1	3	344.371	0.280	50	0		ECAAHM
O=C(COc1ccc(NC(=O)c2nc[n-]n2)cc1)N1CCOCC1	ZINC000004604654	210230015	/nfs/dbraw/zinc/23/00/15/210230015.db2.gz	MEFQZXBTPYZZGE-UHFFFAOYSA-N	-1	3	331.332	0.295	50	0		ECAAHM
COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1	ZINC000004324748	210172054	/nfs/dbraw/zinc/17/20/54/210172054.db2.gz	OBDVBPLRNSSBHW-SSDOTTSWSA-N	-1	3	339.416	0.000	50	0		ECAAHM
Cc1c(CCO)c(=O)[n-]n1S(=O)(=O)c1cccc2cccnc21	ZINC000004089438	210117597	/nfs/dbraw/zinc/11/75/97/210117597.db2.gz	STRBGZBXEOAKIV-UHFFFAOYSA-N	-1	3	333.369	0.805	50	0		ECAAHM
CN(C)CCN(C)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067787827	215211964	/nfs/dbraw/zinc/21/19/64/215211964.db2.gz	VAFVSBIROWHPKA-UHFFFAOYSA-N	-1	3	347.462	0.274	50	0		ECAAHM
CN1CCN(C(=O)C2CCN(Cc3ccco3)CC2)C[C@H]1C(=O)[O-]	ZINC000067855017	215233461	/nfs/dbraw/zinc/23/34/61/215233461.db2.gz	OESAIVALPRIORW-HNNXBMFYSA-N	-1	3	335.404	0.719	50	0		ECAAHM
Cc1nc2c(c(N(C)C)n1)CCN(C(=O)Cc1cnc(C)[n-]c1=O)C2	ZINC000072144122	216030166	/nfs/dbraw/zinc/03/01/66/216030166.db2.gz	ZEQCKNTVCKOKRO-UHFFFAOYSA-N	-1	3	342.403	0.370	50	0		ECAAHM
CCN1C[C@]2(CCCN(C(=O)Cc3cnc(C)[n-]c3=O)C2)CCC1=O	ZINC000072422328	216212323	/nfs/dbraw/zinc/21/23/23/216212323.db2.gz	JNNYHSJGEKSIQG-SFHVURJKSA-N	-1	3	346.431	0.872	50	0		ECAAHM
Cc1nc(C)c(CC(=O)N2CCCO[C@@H](Cn3cccn3)C2)c(=O)[n-]1	ZINC000215246470	241113536	/nfs/dbraw/zinc/11/35/36/241113536.db2.gz	RGXZTMRDIISNOZ-CQSZACIVSA-N	-1	3	345.403	0.443	50	0		ECAAHM
CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1nnn[n-]1	ZINC000022033996	212272618	/nfs/dbraw/zinc/27/26/18/212272618.db2.gz	WWSIPWKUCVBUDQ-UHFFFAOYSA-N	-1	3	325.292	0.606	50	0		ECAAHM
CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1nn[n-]n1	ZINC000022033996	212272622	/nfs/dbraw/zinc/27/26/22/212272622.db2.gz	WWSIPWKUCVBUDQ-UHFFFAOYSA-N	-1	3	325.292	0.606	50	0		ECAAHM
NC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1	ZINC000010044242	211143956	/nfs/dbraw/zinc/14/39/56/211143956.db2.gz	RITRGXQSSFZSHP-HNNXBMFYSA-N	-1	3	348.380	0.963	50	0		ECAAHM
O=C(Cc1ccc(-n2cnnn2)cc1)N1NC=C[C@@]1([O-])C(F)(F)F	ZINC000006926316	210745181	/nfs/dbraw/zinc/74/51/81/210745181.db2.gz	MDVRTLQJWDTMDP-GFCCVEGCSA-N	-1	3	340.265	0.674	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ncc(Cl)n2C)cn1	ZINC000408514135	254763086	/nfs/dbraw/zinc/76/30/86/254763086.db2.gz	KMHIJRUBSUCTJY-UHFFFAOYSA-N	-1	3	343.796	0.307	50	0		ECAAHM
CC(C)CNC(=O)COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O	ZINC000002653336	435966963	/nfs/dbraw/zinc/96/69/63/435966963.db2.gz	HXLXAANPNSFGOP-UHFFFAOYSA-N	-1	3	333.344	0.005	50	0		ECAAHM
COC(=O)[C@@]([O-])(CC(=O)Nc1ccccc1C(N)=O)C(F)(F)F	ZINC000005914715	435994730	/nfs/dbraw/zinc/99/47/30/435994730.db2.gz	SFEKZKNGVSLVPM-LBPRGKRZSA-N	-1	3	334.250	0.581	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c1	ZINC000069653569	435954869	/nfs/dbraw/zinc/95/48/69/435954869.db2.gz	DZDLBSWEFLLTFU-LLVKDONJSA-N	-1	3	340.380	0.182	50	0		ECAAHM
C[C@@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)NC(C)(C)C	ZINC000007064209	436008651	/nfs/dbraw/zinc/00/86/51/436008651.db2.gz	NEKNTRAHINKVRF-SNVBAGLBSA-N	-1	3	347.371	0.536	50	0		ECAAHM
Cc1ccccc1N1CCN(C(=O)Cc2c[nH]c(=O)[n-]c2=O)[C@@H](C)C1	ZINC000071776920	436010520	/nfs/dbraw/zinc/01/05/20/436010520.db2.gz	YVVVOLNFUFAEBQ-ZDUSSCGKSA-N	-1	3	342.399	0.651	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000011408922	436042597	/nfs/dbraw/zinc/04/25/97/436042597.db2.gz	CDEPBABNTMKNLE-LBPRGKRZSA-N	-1	3	336.779	0.587	50	0		ECAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1ccccc1O	ZINC000024151339	436132815	/nfs/dbraw/zinc/13/28/15/436132815.db2.gz	OZTLBCVGHXAWQO-UHFFFAOYSA-N	-1	3	340.133	0.643	50	0		ECAAHM
CN1CCN([C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)[O-])CC1	ZINC000022585086	436120205	/nfs/dbraw/zinc/12/02/05/436120205.db2.gz	OKLGWBJBHRWQLE-ZDUSSCGKSA-N	-1	3	327.331	0.994	50	0		ECAAHM
O=C(NCCNc1nc2c(c(=O)[n-]1)CCNC2)c1ccccc1Cl	ZINC000077486077	436240479	/nfs/dbraw/zinc/24/04/79/436240479.db2.gz	NYTKNTTYFXNAPP-UHFFFAOYSA-N	-1	3	347.806	0.911	50	0		ECAAHM
CN1CC2(CCN(Cc3nc4c(cnn4C)c(=O)[n-]3)CC2)OC1=O	ZINC000077489356	436240963	/nfs/dbraw/zinc/24/09/63/436240963.db2.gz	BKOONUVTJRMIIM-UHFFFAOYSA-N	-1	3	332.364	0.073	50	0		ECAAHM
CS(=O)(=O)N1CCc2nc([N-]C(=O)c3ccno3)sc2C1	ZINC000077154997	436226115	/nfs/dbraw/zinc/22/61/15/436226115.db2.gz	CRWQGHOVAOUNHR-UHFFFAOYSA-N	-1	3	328.375	0.701	50	0		ECAAHM
Cc1nc(C)c(CC(=O)NC[C@@H](O)COc2ccccc2)c(=O)[n-]1	ZINC000031418154	436227927	/nfs/dbraw/zinc/22/79/27/436227927.db2.gz	WCMJDGVONQEHNU-CYBMUJFWSA-N	-1	3	331.372	0.485	50	0		ECAAHM
CS(=O)(=O)N1CCC(NC(=O)c2c[n-]c3ccccc3c2=O)CC1	ZINC000032963535	436247902	/nfs/dbraw/zinc/24/79/02/436247902.db2.gz	XGIPZFOOZVNOFB-UHFFFAOYSA-N	-1	3	349.412	0.682	50	0		ECAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1CCS(=O)(=O)C1	ZINC000044457605	436341764	/nfs/dbraw/zinc/34/17/64/436341764.db2.gz	JNTSVJVXROJSJO-VIFPVBQESA-N	-1	3	337.394	0.547	50	0		ECAAHM
CN(Cc1cnn(-c2ccccc2)n1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000046622409	436398379	/nfs/dbraw/zinc/39/83/79/436398379.db2.gz	XEQMYVGARXPVKE-ZDUSSCGKSA-N	-1	3	342.359	0.214	50	0		ECAAHM
O=C1[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)CCCN1Cc1ccccc1	ZINC000090226016	436429786	/nfs/dbraw/zinc/42/97/86/436429786.db2.gz	OJJXVDUSWRAQHI-ZDUSSCGKSA-N	-1	3	334.401	0.879	50	0		ECAAHM
NC(=O)CC[N-]S(=O)(=O)c1cc(F)ccc1Br	ZINC000089769689	436415878	/nfs/dbraw/zinc/41/58/78/436415878.db2.gz	BZODMEJNEOMOLH-UHFFFAOYSA-N	-1	3	325.159	0.742	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)Nc2ccnn2CC2CC2)n1	ZINC000096138190	436516421	/nfs/dbraw/zinc/51/64/21/436516421.db2.gz	BJUNHGUIHBRIDJ-UHFFFAOYSA-N	-1	3	331.380	0.918	50	0		ECAAHM
CN(C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cn2c(=O)oc3ccccc32)C1	ZINC000065398059	436657276	/nfs/dbraw/zinc/65/72/76/436657276.db2.gz	FYUQMILJFNXZJN-PWSUYJOCSA-N	-1	3	333.344	0.210	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]C1CCN(c2nccn2C)CC1	ZINC000241277710	436759166	/nfs/dbraw/zinc/75/91/66/436759166.db2.gz	LIMBYUUAPHHINV-UHFFFAOYSA-N	-1	3	339.421	0.972	50	0		ECAAHM
Cc1c(C(=O)N2CC(n3c([O-])coc3=O)C2)cnn1-c1ccccc1	ZINC000253393991	436842457	/nfs/dbraw/zinc/84/24/57/436842457.db2.gz	AXTQNSGAEZEDND-UHFFFAOYSA-N	-1	3	340.339	0.984	50	0		ECAAHM
C[C@H](C[N-]S(=O)(=O)c1ccco1)N(C)S(=O)(=O)c1ccco1	ZINC000252496359	436833451	/nfs/dbraw/zinc/83/34/51/436833451.db2.gz	PHNOJOAQUSDYPO-SNVBAGLBSA-N	-1	3	348.402	0.860	50	0		ECAAHM
Cn1ncc2c1nc(CN(C[C@H]1CCCO1)C[C@@H]1CCCO1)[n-]c2=O	ZINC000052828177	303059519	/nfs/dbraw/zinc/05/95/19/303059519.db2.gz	GELBRNCKBJIOPS-BETUJISGSA-N	-1	3	347.419	0.817	50	0		ECAAHM
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(Cc2cccs2)CC1	ZINC000330912721	437648288	/nfs/dbraw/zinc/64/82/88/437648288.db2.gz	ZVKSREGCJPUJSI-UHFFFAOYSA-N	-1	3	335.389	0.490	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](OC)C2CC2)cn1	ZINC000408520764	438581663	/nfs/dbraw/zinc/58/16/63/438581663.db2.gz	WCNCXUIARQRCDO-NOZJJQNGSA-N	-1	3	327.406	0.533	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](C)n3ccnc32)cn1	ZINC000408522187	438582343	/nfs/dbraw/zinc/58/23/43/438582343.db2.gz	FERXBKVYJSZUEA-ONGXEEELSA-N	-1	3	335.389	0.622	50	0		ECAAHM
CN(Cc1[nH]nc2c1CCCCC2)C(=O)Cc1cc(=O)[n-]c(N)n1	ZINC000215472664	536485886	/nfs/dbraw/zinc/48/58/86/536485886.db2.gz	IIHIKQNNBAMTLQ-UHFFFAOYSA-N	-1	3	330.392	0.545	50	0		ECAAHM
CN(Cc1n[nH]c2c1CCCCC2)C(=O)Cc1cc(=O)[n-]c(N)n1	ZINC000215472664	536485887	/nfs/dbraw/zinc/48/58/87/536485887.db2.gz	IIHIKQNNBAMTLQ-UHFFFAOYSA-N	-1	3	330.392	0.545	50	0		ECAAHM
CN1CCN([C@@H]2CCN(Cc3ccc(OCC(=O)[O-])cc3)C2)CC1	ZINC000215140957	545919338	/nfs/dbraw/zinc/91/93/38/545919338.db2.gz	IBAGVFBWBTUAGS-MRXNPFEDSA-N	-1	3	333.432	0.972	50	0		ECAAHM
Cn1cnc(S(=O)(=O)[N-][C@@H]2COCC[C@H]2Oc2ccccn2)c1	ZINC000222461759	545922402	/nfs/dbraw/zinc/92/24/02/545922402.db2.gz	MDYMSBSFBOFDDL-VXGBXAGGSA-N	-1	3	338.389	0.330	50	0		ECAAHM
CC[C@@H](NC(=O)c1cc(-n2cnnn2)ccc1[O-])c1ncnn1CC	ZINC000222790994	545923535	/nfs/dbraw/zinc/92/35/35/545923535.db2.gz	LQOJXXZBWIGRBJ-GFCCVEGCSA-N	-1	3	342.363	0.860	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2c2cccnc2)cn1	ZINC000585087427	586374673	/nfs/dbraw/zinc/37/46/73/586374673.db2.gz	FMOFPEHRIRLOJY-OLZOCXBDSA-N	-1	3	332.385	0.671	50	0		ECAAHM
CCN1C[C@@H](CN(C)C(=O)C[C@H]2NC(=O)[N-]C2=O)Oc2ccccc21	ZINC000097740527	219052332	/nfs/dbraw/zinc/05/23/32/219052332.db2.gz	ROWRMUYCTAOGCP-VXGBXAGGSA-N	-1	3	346.387	0.330	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(CCc2cccs2)CC1	ZINC000056302502	214370090	/nfs/dbraw/zinc/37/00/90/214370090.db2.gz	KMQXBIFHYGSWPN-LBPRGKRZSA-N	-1	3	336.417	0.033	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCN(Cc3ccccn3)C2)cn1C	ZINC000067840515	215225534	/nfs/dbraw/zinc/22/55/34/215225534.db2.gz	QEPPPUFJMHIZDS-AWEZNQCLSA-N	-1	3	349.460	0.924	50	0		ECAAHM
COCCS(=O)(=O)[N-]CC(=O)Nc1ccc(F)c(F)c1F	ZINC000072230379	216071057	/nfs/dbraw/zinc/07/10/57/216071057.db2.gz	WFZOHDFOOABBFG-UHFFFAOYSA-N	-1	3	326.296	0.608	50	0		ECAAHM
C[C@@H]1CN(C2CCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)CC2)C[C@H](C)O1	ZINC000072478671	216257298	/nfs/dbraw/zinc/25/72/98/216257298.db2.gz	WNOGMQYPTFEFBT-PHIMTYICSA-N	-1	3	336.392	0.189	50	0		ECAAHM
Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cn(C)cn2)cc1C	ZINC000206633025	241047379	/nfs/dbraw/zinc/04/73/79/241047379.db2.gz	KOPJUBSKIQOOGM-UHFFFAOYSA-N	-1	3	336.417	0.745	50	0		ECAAHM
CCCc1nnc(NC(=O)CS(=O)(=O)[N-]C[C@@H]2CCCO2)s1	ZINC000096405440	284124699	/nfs/dbraw/zinc/12/46/99/284124699.db2.gz	BKNPHBBREULPMW-VIFPVBQESA-N	-1	3	348.450	0.528	50	0		ECAAHM
Cc1nc(CC2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2)no1	ZINC000091646143	218040182	/nfs/dbraw/zinc/04/01/82/218040182.db2.gz	COZXNKQDFOSDEC-NSHDSACASA-N	-1	3	335.364	0.147	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1noc(-c2ccccc2)n1	ZINC000091931745	218090433	/nfs/dbraw/zinc/09/04/33/218090433.db2.gz	FNEJVVNBMUPQPS-JTQLQIEISA-N	-1	3	329.316	0.341	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)NCCOc1cccc2ccccc21	ZINC000095394611	218326592	/nfs/dbraw/zinc/32/65/92/218326592.db2.gz	DRKOLIZOVOEZLF-UHFFFAOYSA-N	-1	3	327.340	0.887	50	0		ECAAHM
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[C@@H]1NC(=O)[N-]C1=O	ZINC000097597393	219038074	/nfs/dbraw/zinc/03/80/74/219038074.db2.gz	PSPUFDVZSSLOEK-AWEZNQCLSA-N	-1	3	341.371	0.703	50	0		ECAAHM
CN1CCN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@H]2C1	ZINC000245328688	258000163	/nfs/dbraw/zinc/00/01/63/258000163.db2.gz	WJMNLNOOSIATJT-DYVFJYSZSA-N	-1	3	328.372	0.058	50	0		ECAAHM
CC(=O)c1ccc(N2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)cc1	ZINC000012607620	135697012	/nfs/dbraw/zinc/69/70/12/135697012.db2.gz	IMEPHQRFYPABIN-AWEZNQCLSA-N	-1	3	344.371	0.136	50	0		ECAAHM
COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)[C@@H](CO)SC	ZINC000341008530	297586674	/nfs/dbraw/zinc/58/66/74/297586674.db2.gz	BVZCFYKEEZZRDP-NKWVEPMBSA-N	-1	3	340.448	0.320	50	0		ECAAHM
COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1	ZINC000069845234	435972349	/nfs/dbraw/zinc/97/23/49/435972349.db2.gz	XZUKHHZBBCFMCU-NXEZZACHSA-N	-1	3	343.405	0.560	50	0		ECAAHM
CS(=O)(=O)N1CCC(C(=O)N2NC=C[C@]2([O-])C(F)(F)F)CC1	ZINC000006519912	436000780	/nfs/dbraw/zinc/00/07/80/436000780.db2.gz	WBFUITSUACFILI-JTQLQIEISA-N	-1	3	343.327	0.127	50	0		ECAAHM
CCc1nc(C)c(CC(=O)N2CCC[C@H](N3CCCC3=O)C2)c(=O)[n-]1	ZINC000071762547	436009609	/nfs/dbraw/zinc/00/96/09/436009609.db2.gz	IQXFLYSQDPWCCT-ZDUSSCGKSA-N	-1	3	346.431	0.797	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCN(C/C=C/c2ccccc2)CC1	ZINC000071795598	436012957	/nfs/dbraw/zinc/01/29/57/436012957.db2.gz	APCVWRIBQNTKMN-NFBGWVBBSA-N	-1	3	342.399	0.442	50	0		ECAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(C/C=C/c2ccccc2)CC1	ZINC000071795599	436013517	/nfs/dbraw/zinc/01/35/17/436013517.db2.gz	APCVWRIBQNTKMN-SZTZYQKNSA-N	-1	3	342.399	0.442	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2cc(C)ccn2)cn1C	ZINC000071853356	436018500	/nfs/dbraw/zinc/01/85/00/436018500.db2.gz	LZYODCMYFKBCIM-UHFFFAOYSA-N	-1	3	337.405	0.739	50	0		ECAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC2(CC1)C(=O)Nc1ccccc12	ZINC000072135229	436032684	/nfs/dbraw/zinc/03/26/84/436032684.db2.gz	ZZSKKTRBDXOUJE-UHFFFAOYSA-N	-1	3	340.339	0.189	50	0		ECAAHM
O=C(CCn1ccc2ccccc21)N1CC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000072290663	436041795	/nfs/dbraw/zinc/04/17/95/436041795.db2.gz	IQWXRGGKFXAWFV-QGZVFWFLSA-N	-1	3	326.356	0.842	50	0		ECAAHM
Cc1nccn1CC[C@H]1CCCCN1C(=O)Cc1c[nH]c(=O)[n-]c1=O	ZINC000077387154	436236339	/nfs/dbraw/zinc/23/63/39/436236339.db2.gz	YSPCOCKTNAZJHY-CQSZACIVSA-N	-1	3	345.403	0.582	50	0		ECAAHM
C[C@H](OC(=O)CC[C@@H]1NC(=O)[N-]C1=O)C(=O)Nc1ccc(F)cc1	ZINC000032515502	436239049	/nfs/dbraw/zinc/23/90/49/436239049.db2.gz	VSWJWVKHKNRECB-KWQFWETISA-N	-1	3	337.307	0.684	50	0		ECAAHM
Cc1ccc(CNC(=O)C[N-]S(=O)(=O)c2cccs2)n1C	ZINC000079042796	436287484	/nfs/dbraw/zinc/28/74/84/436287484.db2.gz	RIXORQJZFFZEGH-UHFFFAOYSA-N	-1	3	327.431	0.990	50	0		ECAAHM
Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n(CCN(C)C)n1	ZINC000091382008	436451195	/nfs/dbraw/zinc/45/11/95/436451195.db2.gz	OPGSROOUKWPGBB-UONOGXRCSA-N	-1	3	334.420	0.936	50	0		ECAAHM
C[C@H](C1CC1)N(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000089894148	436418600	/nfs/dbraw/zinc/41/86/00/436418600.db2.gz	ZLLDVAARGXRFRG-SSDOTTSWSA-N	-1	3	330.182	0.556	50	0		ECAAHM
Cc1ccccc1C[C@@H](CNC(=O)C(C)S(C)(=O)=O)C(=O)[O-]	ZINC000095970678	436501313	/nfs/dbraw/zinc/50/13/13/436501313.db2.gz	RMHJPMIXKYQQRW-AAEUAGOBSA-N	-1	3	327.402	0.788	50	0		ECAAHM
O=c1cc(CN2CCc3c(=O)[n-]cnc3C2)nc2ccc(Cl)cn12	ZINC000096012866	436503579	/nfs/dbraw/zinc/50/35/79/436503579.db2.gz	AGYAYJBVRBNYGR-UHFFFAOYSA-N	-1	3	343.774	0.990	50	0		ECAAHM
Cc1occc1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000058231336	436621712	/nfs/dbraw/zinc/62/17/12/436621712.db2.gz	CHYZLNDXOYSPBU-UHFFFAOYSA-N	-1	3	342.311	0.899	50	0		ECAAHM
Cc1occc1C(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000058231336	436621715	/nfs/dbraw/zinc/62/17/15/436621715.db2.gz	CHYZLNDXOYSPBU-UHFFFAOYSA-N	-1	3	342.311	0.899	50	0		ECAAHM
Cc1ccc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c([O-])c1	ZINC000058266410	436622082	/nfs/dbraw/zinc/62/20/82/436622082.db2.gz	WYKZGQVKUBTCOI-NSHDSACASA-N	-1	3	340.401	0.076	50	0		ECAAHM
O=C(CNC(=O)C1CCCC1)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000058245831	436622408	/nfs/dbraw/zinc/62/24/08/436622408.db2.gz	YLXWFJUBTILZNU-UHFFFAOYSA-N	-1	3	330.344	0.874	50	0		ECAAHM
O=C(CNC(=O)C1CCCC1)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000058245831	436622411	/nfs/dbraw/zinc/62/24/11/436622411.db2.gz	YLXWFJUBTILZNU-UHFFFAOYSA-N	-1	3	330.344	0.874	50	0		ECAAHM
O=C([C@H]1CCCN1Cc1ccccc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000108095884	436615867	/nfs/dbraw/zinc/61/58/67/436615867.db2.gz	VBZZJDSKMLAXBD-HUUCEWRRSA-N	-1	3	342.399	0.414	50	0		ECAAHM
CC(C)(NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1nn[n-]n1	ZINC000530859891	302031896	/nfs/dbraw/zinc/03/18/96/302031896.db2.gz	ULNIEJFRKAAPCT-ZDUSSCGKSA-N	-1	3	329.408	0.858	50	0		ECAAHM
CC(C)(NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1nnn[n-]1	ZINC000530859891	302031898	/nfs/dbraw/zinc/03/18/98/302031898.db2.gz	ULNIEJFRKAAPCT-ZDUSSCGKSA-N	-1	3	329.408	0.858	50	0		ECAAHM
Cc1ccccc1[C@H](C(=O)NCCc1nc(N)cc(=O)[n-]1)N(C)C	ZINC000065398954	436657051	/nfs/dbraw/zinc/65/70/51/436657051.db2.gz	YTRLIZBHOYEMDF-MRXNPFEDSA-N	-1	3	329.404	0.622	50	0		ECAAHM
CCOC(=O)NC1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1	ZINC000065413940	436660366	/nfs/dbraw/zinc/66/03/66/436660366.db2.gz	VWHZJAIYSBKYEE-UHFFFAOYSA-N	-1	3	334.380	0.367	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1	ZINC000219880383	436698043	/nfs/dbraw/zinc/69/80/43/436698043.db2.gz	UJDORGHOIBPWAK-KGLIPLIRSA-N	-1	3	347.371	0.029	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cn1C	ZINC000065576289	436668273	/nfs/dbraw/zinc/66/82/73/436668273.db2.gz	XBWIXMGZKDGVIA-GMXVVIOVSA-N	-1	3	342.465	0.948	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O	ZINC000254927426	436849829	/nfs/dbraw/zinc/84/98/29/436849829.db2.gz	WULZCLNFSTXBQU-INIZCTEOSA-N	-1	3	345.359	0.714	50	0		ECAAHM
CCCn1[n-]ccc1=NC(=O)CN1CCC[C@@H](Cn2cncn2)C1	ZINC000255560859	436854511	/nfs/dbraw/zinc/85/45/11/436854511.db2.gz	MLEIRDDCXNXHAA-CQSZACIVSA-N	-1	3	331.424	0.657	50	0		ECAAHM
Cc1nnc([N-]C(=O)c2nn(C)c3c2CS(=O)(=O)CC3)s1	ZINC000041070397	302820154	/nfs/dbraw/zinc/82/01/54/302820154.db2.gz	ZSPNIYXGMQGVAG-UHFFFAOYSA-N	-1	3	327.391	0.303	50	0		ECAAHM
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(CCc2cccs2)CC1	ZINC000266891962	437262353	/nfs/dbraw/zinc/26/23/53/437262353.db2.gz	WSCFIEABNYDOJA-UHFFFAOYSA-N	-1	3	349.416	0.532	50	0		ECAAHM
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2ccc3n[n-]nc3c2)C1	ZINC000329021436	437305403	/nfs/dbraw/zinc/30/54/03/437305403.db2.gz	MENOBSIMUFAHEV-WFASDCNBSA-N	-1	3	343.387	0.810	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCc3ccncc32)cn1C	ZINC000329674738	437398649	/nfs/dbraw/zinc/39/86/49/437398649.db2.gz	ORGJHHQYZSWKKK-UHFFFAOYSA-N	-1	3	349.416	0.381	50	0		ECAAHM
Cn1cc(Cl)cc1C(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000426420067	438056513	/nfs/dbraw/zinc/05/65/13/438056513.db2.gz	MWHPQSVHKFLCDS-UHFFFAOYSA-N	-1	3	336.783	0.719	50	0		ECAAHM
CCCn1ncc(C(=O)N2CCN(c3cc(=O)[n-]c(N)n3)CC2)c1C	ZINC000426582715	438068744	/nfs/dbraw/zinc/06/87/44/438068744.db2.gz	BLDMDOONVQKJNF-UHFFFAOYSA-N	-1	3	345.407	0.642	50	0		ECAAHM
CC(C)Cn1[n-]ccc1=NC(=O)CN1CCO[C@H](Cn2cccn2)C1	ZINC000588085731	438817599	/nfs/dbraw/zinc/81/75/99/438817599.db2.gz	OSSSBNPMKXFVNX-HNNXBMFYSA-N	-1	3	346.435	0.497	50	0		ECAAHM
C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCN(C[C@H](C)O)[C@H](C)C1	ZINC000588080563	438818313	/nfs/dbraw/zinc/81/83/13/438818313.db2.gz	HONCRPNMOVYTPM-QLFBSQMISA-N	-1	3	349.479	0.601	50	0		ECAAHM
CN(CC(=O)NC[C@@H]1CCCO1)Cc1cccc(-c2nnn[n-]2)c1	ZINC000244899740	545936609	/nfs/dbraw/zinc/93/66/09/545936609.db2.gz	ZPENVQZMEMAMSR-AWEZNQCLSA-N	-1	3	330.392	0.594	50	0		ECAAHM
CN(CC(=O)NC[C@@H]1CCCO1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000244899740	545936613	/nfs/dbraw/zinc/93/66/13/545936613.db2.gz	ZPENVQZMEMAMSR-AWEZNQCLSA-N	-1	3	330.392	0.594	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nccc(C)n2)cn1	ZINC000585088024	578132652	/nfs/dbraw/zinc/13/26/52/578132652.db2.gz	HJOOCQJOFAFUPM-SNVBAGLBSA-N	-1	3	335.389	0.579	50	0		ECAAHM
O=C(CS(=O)(=O)c1ccccc1)Nc1cccc2c1C(=O)[N-]C2=O	ZINC000004496355	210203418	/nfs/dbraw/zinc/20/34/18/210203418.db2.gz	DWUOXXKLUAPKRZ-UHFFFAOYSA-N	-1	3	344.348	0.983	50	0		ECAAHM
C[C@@]1(O)CCN(C(=O)c2cc(=O)[n-]c(=O)[nH]2)C[C@@H]1Cc1ccccc1	ZINC000067841728	215226822	/nfs/dbraw/zinc/22/68/22/215226822.db2.gz	JHCVIEZRAPDSPK-SCLBCKFNSA-N	-1	3	343.383	0.931	50	0		ECAAHM
CC(C)C(=O)NCCNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1	ZINC000069329200	215379671	/nfs/dbraw/zinc/37/96/71/215379671.db2.gz	DIMXMRWAABXVEE-UHFFFAOYSA-N	-1	3	345.396	0.699	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)NCCCn2ccnc2C)o1	ZINC000040555069	213349133	/nfs/dbraw/zinc/34/91/33/213349133.db2.gz	YQZUHXOXBKSTRO-UHFFFAOYSA-N	-1	3	326.378	0.513	50	0		ECAAHM
CN(C)[C@@H](C(=O)N1CCc2c(nc(N)[n-]c2=O)C1)c1ccccc1F	ZINC000072128412	216018959	/nfs/dbraw/zinc/01/89/59/216018959.db2.gz	KCPSGDHUAZVQGV-CQSZACIVSA-N	-1	3	345.378	0.679	50	0		ECAAHM
COc1ccc2[n-]cc(C(=O)N3CC[C@H](CO)[C@@H](O)C3)c(=O)c2c1	ZINC000072127130	216017910	/nfs/dbraw/zinc/01/79/10/216017910.db2.gz	AZTSXXUDIXYEOG-BMIGLBTASA-N	-1	3	332.356	0.352	50	0		ECAAHM
CCn1c(CCNC(=O)C[C@H]2NC(=O)[N-]C2=O)nc2ccccc21	ZINC000215068077	241105224	/nfs/dbraw/zinc/10/52/24/241105224.db2.gz	HXSJEPCHCFJUNL-LLVKDONJSA-N	-1	3	329.360	0.313	50	0		ECAAHM
Cn1cc(C(=O)NC2CCN(c3ccccc3F)CC2)c(=O)[n-]c1=O	ZINC000219703432	241406678	/nfs/dbraw/zinc/40/66/78/241406678.db2.gz	ZOLWUZRVNFPJKK-UHFFFAOYSA-N	-1	3	346.362	0.612	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)NC1CCN(Cc2ccccc2F)CC1	ZINC000111572849	220167137	/nfs/dbraw/zinc/16/71/37/220167137.db2.gz	ZCFZPFNGIZHAOZ-UHFFFAOYSA-N	-1	3	348.378	0.458	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCC(=O)[O-])CC1=O	ZINC000299750564	258007577	/nfs/dbraw/zinc/00/75/77/258007577.db2.gz	NWPNOZUUTMFIMD-QWHCGFSZSA-N	-1	3	325.409	0.252	50	0		ECAAHM
O=C(NC1CCN(Cc2cccnc2)CC1)c1c[nH]c(=O)[n-]c1=O	ZINC000299784356	258092091	/nfs/dbraw/zinc/09/20/91/258092091.db2.gz	XLIUWDRTWPVUEW-UHFFFAOYSA-N	-1	3	329.360	0.677	50	0		ECAAHM
O=C(Cn1nnc(-c2ccccc2)n1)N1NC=C[C@@]1([O-])C(F)(F)F	ZINC000006927905	258052170	/nfs/dbraw/zinc/05/21/70/258052170.db2.gz	AKZWMYHOXBEQQG-GFCCVEGCSA-N	-1	3	340.265	0.809	50	0		ECAAHM
CN(C)S(=O)(=O)CCCN1C[C@@H](c2cccnc2)[C@H](C(=O)[O-])C1	ZINC000091548281	289238570	/nfs/dbraw/zinc/23/85/70/289238570.db2.gz	ZFPRNNNPWGSIED-UONOGXRCSA-N	-1	3	341.433	0.463	50	0		ECAAHM
COc1cccc2c1OC[C@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)C2	ZINC000360215880	299955362	/nfs/dbraw/zinc/95/53/62/299955362.db2.gz	IQHIYPCFJUYCLE-SNVBAGLBSA-N	-1	3	331.328	0.228	50	0		ECAAHM
COc1ccc(C[C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1	ZINC000071821338	436013307	/nfs/dbraw/zinc/01/33/07/436013307.db2.gz	UENVEISCRODITQ-JSGCOSHPSA-N	-1	3	331.372	0.827	50	0		ECAAHM
COc1ccc(C[C@H]2CCCN2C(=O)C[C@H]2NC(=O)[N-]C2=O)cc1	ZINC000071821337	436014334	/nfs/dbraw/zinc/01/43/34/436014334.db2.gz	UENVEISCRODITQ-TZMCWYRMSA-N	-1	3	331.372	0.827	50	0		ECAAHM
C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)OC)ccc1Cl	ZINC000008389881	436028883	/nfs/dbraw/zinc/02/88/83/436028883.db2.gz	ARTGZFDHCMJYNL-SSDOTTSWSA-N	-1	3	335.765	0.966	50	0		ECAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)NCc1cccnc1	ZINC000012543163	436051739	/nfs/dbraw/zinc/05/17/39/436051739.db2.gz	QCBKJZPYZYZIGH-UHFFFAOYSA-N	-1	3	338.389	0.671	50	0		ECAAHM
O=S(=O)([N-]C[C@H]1CCS(=O)(=O)C1)c1cc(F)cc(F)c1	ZINC000044457634	436342901	/nfs/dbraw/zinc/34/29/01/436342901.db2.gz	AOMDDSGNJXMLGS-MRVPVSSYSA-N	-1	3	325.358	0.678	50	0		ECAAHM
Cc1ccc(N2C[C@@H](C)N(C(=O)c3cc(=O)[n-]c(=O)[nH]3)CC2=O)cc1	ZINC000082097431	436360967	/nfs/dbraw/zinc/36/09/67/436360967.db2.gz	OLZFEBXJIXDMKT-LLVKDONJSA-N	-1	3	342.355	0.249	50	0		ECAAHM
O=C(Cn1ncc2ccccc2c1=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000047343007	436417584	/nfs/dbraw/zinc/41/75/84/436417584.db2.gz	TWFAHCNXBXDTEO-UHFFFAOYSA-N	-1	3	347.338	0.637	50	0		ECAAHM
CC[C@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1N1CCOCC1	ZINC000089948596	436423622	/nfs/dbraw/zinc/42/36/22/436423622.db2.gz	FFJJQNCULMPJJS-GOEBONIOSA-N	-1	3	348.447	0.498	50	0		ECAAHM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1C[C@@H](C)N[C@H](C)C1	ZINC000153434842	436756860	/nfs/dbraw/zinc/75/68/60/436756860.db2.gz	GQFURWXKZODURY-GHMZBOCLSA-N	-1	3	342.403	0.287	50	0		ECAAHM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)N)CC1)C(=O)[O-]	ZINC000248085413	436800353	/nfs/dbraw/zinc/80/03/53/436800353.db2.gz	RRMCYVUOWFVYFQ-KSTCHIGDSA-N	-1	3	341.452	0.872	50	0		ECAAHM
CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000248091468	436801434	/nfs/dbraw/zinc/80/14/34/436801434.db2.gz	VRWZLFVPHZTUAR-PEDHHIEDSA-N	-1	3	341.452	0.872	50	0		ECAAHM
CC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[n-]n2c1=O	ZINC000252550187	436837682	/nfs/dbraw/zinc/83/76/82/436837682.db2.gz	SERPNIZVGIVJCA-JOYOIKCWSA-N	-1	3	336.392	0.492	50	0		ECAAHM
CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H](C)C(=O)[O-])CC1=O	ZINC000377118566	438301535	/nfs/dbraw/zinc/30/15/35/438301535.db2.gz	DNAUKOFEQLTDIK-RWMBFGLXSA-N	-1	3	325.409	0.251	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]Cc2cc(-c3cnccn3)nn2C)cn1C	ZINC000390826073	438434192	/nfs/dbraw/zinc/43/41/92/438434192.db2.gz	AXTPZLCDRIAPOW-UHFFFAOYSA-N	-1	3	347.404	0.398	50	0		ECAAHM
NC(=O)C1(C[N-]S(=O)(=O)Cc2c(F)cccc2F)CCOCC1	ZINC000122793604	591173183	/nfs/dbraw/zinc/17/31/83/591173183.db2.gz	GBKBZLKXCFQVRQ-UHFFFAOYSA-N	-1	3	348.371	0.666	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1ccc2c(c1)OCCCO2	ZINC000066775456	215078834	/nfs/dbraw/zinc/07/88/34/215078834.db2.gz	JYMIDCMYSHXRRO-LLVKDONJSA-N	-1	3	333.344	0.452	50	0		ECAAHM
O=C(C[N-]S(=O)(=O)/C=C/c1ccccc1)O[C@H]1CCOC1=O	ZINC000003316794	210006083	/nfs/dbraw/zinc/00/60/83/210006083.db2.gz	NNAIANGKKQSNFB-CRALRDPISA-N	-1	3	325.342	0.435	50	0		ECAAHM
O=C(NC[C@H]1CCCN(Cc2ccco2)C1)c1c[nH]c(=O)[n-]c1=O	ZINC000067852073	215231742	/nfs/dbraw/zinc/23/17/42/215231742.db2.gz	BPLLSYNOIINZAQ-LLVKDONJSA-N	-1	3	332.360	0.298	50	0		ECAAHM
NC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(F)cc2F)CC1	ZINC000040481248	213314910	/nfs/dbraw/zinc/31/49/10/213314910.db2.gz	OZAGDJVWIUVPSE-UHFFFAOYSA-N	-1	3	333.360	0.193	50	0		ECAAHM
O=C([N-]c1ncccn1)c1ccc(S(=O)(=O)N2CCOCC2)o1	ZINC000035597484	213041519	/nfs/dbraw/zinc/04/15/19/213041519.db2.gz	ZDLDCHIWRWYBIZ-UHFFFAOYSA-N	-1	3	338.345	0.343	50	0		ECAAHM
O=C(c1cc(=O)[nH]c2ccc(F)cc21)N1CCc2c(=O)[n-]cnc2C1	ZINC000072119544	216013350	/nfs/dbraw/zinc/01/33/50/216013350.db2.gz	SFDBOJDATKXANC-UHFFFAOYSA-N	-1	3	340.314	0.949	50	0		ECAAHM
Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1c[nH]c(=O)cc1[O-])C2	ZINC000072158329	216048453	/nfs/dbraw/zinc/04/84/53/216048453.db2.gz	WJAQHKORZMENHL-UHFFFAOYSA-N	-1	3	329.360	0.443	50	0		ECAAHM
O=C(c1cc(=O)c2ccccc2[n-]1)N1CCN(Cc2nc[nH]n2)CC1	ZINC000216231655	241174530	/nfs/dbraw/zinc/17/45/30/241174530.db2.gz	PRUBHPITHMQQBF-UHFFFAOYSA-N	-1	3	338.371	0.604	50	0		ECAAHM
O=C(c1cc(=O)c2ccccc2[n-]1)N1CCN(Cc2nnc[nH]2)CC1	ZINC000216231655	241174534	/nfs/dbraw/zinc/17/45/34/241174534.db2.gz	PRUBHPITHMQQBF-UHFFFAOYSA-N	-1	3	338.371	0.604	50	0		ECAAHM
COc1cccc2c1OCCCN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)C2	ZINC000215463761	241126119	/nfs/dbraw/zinc/12/61/19/241126119.db2.gz	NFTGPKCMJVXCMV-NSHDSACASA-N	-1	3	333.344	0.404	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCc1nc2ccccc2s1	ZINC000078228642	217031322	/nfs/dbraw/zinc/03/13/22/217031322.db2.gz	WZTJOEYLQXPPNA-JTQLQIEISA-N	-1	3	332.385	0.943	50	0		ECAAHM
NC(=O)c1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cc1	ZINC000091656239	218041269	/nfs/dbraw/zinc/04/12/69/218041269.db2.gz	HBFSQCZZTPZVGN-CYBMUJFWSA-N	-1	3	331.372	0.341	50	0		ECAAHM
CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)CCc1cc(=O)[n-]o1	ZINC000219993150	289171968	/nfs/dbraw/zinc/17/19/68/289171968.db2.gz	BKGXZUYUWSGPKP-OLZOCXBDSA-N	-1	3	327.381	0.165	50	0		ECAAHM
CN1C(=O)N[C@@]([N-]S(=O)(=O)c2ccccc2)(C(F)(F)F)C1=O	ZINC000002503953	435966996	/nfs/dbraw/zinc/96/69/96/435966996.db2.gz	HYOXTYDIAMASKL-JTQLQIEISA-N	-1	3	337.279	0.405	50	0		ECAAHM
CC(C)CNc1nc(Oc2ccc(=O)[n-]n2)nc(N2CCOCC2)n1	ZINC000004391153	435981381	/nfs/dbraw/zinc/98/13/81/435981381.db2.gz	HNPGUFASTQKDLV-UHFFFAOYSA-N	-1	3	347.379	0.652	50	0		ECAAHM
CCNC(=O)C[C@H]1C(=O)N(CC)C(=S)N1[N-]C(=O)c1cccnc1	ZINC000000107970	435949326	/nfs/dbraw/zinc/94/93/26/435949326.db2.gz	RGNDVAVSFOQRDN-NSHDSACASA-N	-1	3	349.416	0.070	50	0		ECAAHM
COCCc1noc([C@@H](C)[N-]S(=O)(=O)NCc2ccccc2)n1	ZINC000071750807	436010043	/nfs/dbraw/zinc/01/00/43/436010043.db2.gz	NJNZMRJMXIEOOM-LLVKDONJSA-N	-1	3	340.405	0.944	50	0		ECAAHM
Nc1nc2c(c(=O)[n-]1)CCN(C(=O)CCC(=O)N1CCCCCC1)C2	ZINC000071759853	436010197	/nfs/dbraw/zinc/01/01/97/436010197.db2.gz	PJLNGUOHKLZCEK-UHFFFAOYSA-N	-1	3	347.419	0.420	50	0		ECAAHM
CC(C)N(C)CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000071837351	436015302	/nfs/dbraw/zinc/01/53/02/436015302.db2.gz	JDIRHRAZYAOXNJ-UHFFFAOYSA-N	-1	3	329.422	0.921	50	0		ECAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCC2(CC1)C(=O)Nc1ccccc12	ZINC000072144995	436032764	/nfs/dbraw/zinc/03/27/64/436032764.db2.gz	DLRFGWABXUOYOI-GFCCVEGCSA-N	-1	3	342.355	0.097	50	0		ECAAHM
C[C@@H](C1CCN(C(=O)CCc2cc(=O)[n-]o2)CC1)N1CCOCC1	ZINC000072477133	436046337	/nfs/dbraw/zinc/04/63/37/436046337.db2.gz	BSHFSKWDVAXKSL-ZDUSSCGKSA-N	-1	3	337.420	0.860	50	0		ECAAHM
COC(=O)Cc1cc(=O)[n-]c(N2CCN(c3ccccc3F)CC2)n1	ZINC000018149222	436101935	/nfs/dbraw/zinc/10/19/35/436101935.db2.gz	NWCCZQLYBGUZPI-UHFFFAOYSA-N	-1	3	346.362	0.951	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1ccc(NC(=O)C2CC2)cc1	ZINC000012994382	436058586	/nfs/dbraw/zinc/05/85/86/436058586.db2.gz	YRTGEYKNXUWJLB-CYBMUJFWSA-N	-1	3	344.371	0.640	50	0		ECAAHM
CC[C@@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1	ZINC000027151971	436172665	/nfs/dbraw/zinc/17/26/65/436172665.db2.gz	JKNHXCBTPWFSBX-SECBINFHSA-N	-1	3	344.209	0.948	50	0		ECAAHM
CCS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000030008869	436214349	/nfs/dbraw/zinc/21/43/49/436214349.db2.gz	FBWOKMYKTISSNM-UHFFFAOYSA-N	-1	3	338.476	0.841	50	0		ECAAHM
O=S(=O)([N-]C[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1F	ZINC000044457601	436342258	/nfs/dbraw/zinc/34/22/58/436342258.db2.gz	MJCHQBVPLSLHHQ-QMMMGPOBSA-N	-1	3	325.358	0.678	50	0		ECAAHM
Cc1nn(C)c(C)c1CCC(=O)NCCNc1nc(C)cc(=O)[n-]1	ZINC000082109632	436361190	/nfs/dbraw/zinc/36/11/90/436361190.db2.gz	MLMOJZZSIONGJK-UHFFFAOYSA-N	-1	3	332.408	0.590	50	0		ECAAHM
CN(Cc1nc(-c2ccccn2)no1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000091270635	436449216	/nfs/dbraw/zinc/44/92/16/436449216.db2.gz	FNSQEFNEYBAXER-JTQLQIEISA-N	-1	3	344.331	0.078	50	0		ECAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCCc1nc2ccccc2o1	ZINC000092021252	436465787	/nfs/dbraw/zinc/46/57/87/436465787.db2.gz	KKNGOPBLMMDIRN-NSHDSACASA-N	-1	3	330.344	0.865	50	0		ECAAHM
Cc1nn2c([n-]1)ncc(C(=O)N1C[C@H](N)[C@@H](c3ccccc3)C1)c2=O	ZINC000102401274	436551455	/nfs/dbraw/zinc/55/14/55/436551455.db2.gz	YZGWYNXZLZSHCP-KGLIPLIRSA-N	-1	3	338.371	0.293	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)[C@@H](C)CC(C)C)cn1C	ZINC000058394018	436625229	/nfs/dbraw/zinc/62/52/29/436625229.db2.gz	QSAADLNIKPOXAY-NSHDSACASA-N	-1	3	330.454	0.900	50	0		ECAAHM
CS(=O)(=O)[N-]c1ccc(C(=O)OCCN2CCCC2=O)cc1	ZINC000059954060	436632203	/nfs/dbraw/zinc/63/22/03/436632203.db2.gz	QSPNEUHNFCCUPN-UHFFFAOYSA-N	-1	3	326.374	0.837	50	0		ECAAHM
COc1ccc(F)cc1C(=O)N1CCN(c2cc(=O)[n-]c(N)n2)CC1	ZINC000219807836	436697631	/nfs/dbraw/zinc/69/76/31/436697631.db2.gz	XIFVBEVNJUOKRV-UHFFFAOYSA-N	-1	3	347.350	0.462	50	0		ECAAHM
O=C(Nc1c[nH]c(=O)[n-]c1=O)c1cc(OCc2ccccc2)ncn1	ZINC000225534611	436711561	/nfs/dbraw/zinc/71/15/61/436711561.db2.gz	NWMORWIHCGHABT-UHFFFAOYSA-N	-1	3	339.311	0.685	50	0		ECAAHM
CCCc1nc(C)cc(N2CCN(c3cc(=O)[n-]c(N)n3)CC2)n1	ZINC000065495443	436664326	/nfs/dbraw/zinc/66/43/26/436664326.db2.gz	GNAIJSGKRMGUOK-UHFFFAOYSA-N	-1	3	329.408	0.730	50	0		ECAAHM
Cn1ncc2c1nc(CN1CC[C@H](CNc3ccccn3)C1)[n-]c2=O	ZINC000065523306	436667096	/nfs/dbraw/zinc/66/70/96/436667096.db2.gz	UIFOHGPEUCTADD-GFCCVEGCSA-N	-1	3	339.403	0.986	50	0		ECAAHM
CC(C)[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)[O-])CC1	ZINC000248023650	436799048	/nfs/dbraw/zinc/79/90/48/436799048.db2.gz	KOYHYIXVOFGDGD-FDYHWXHSSA-N	-1	3	327.425	0.482	50	0		ECAAHM
Cc1ccccc1[C@@H](O)Cc1nc2c(=O)[nH]c(=O)n(C)c2[n-]c1=O	ZINC000253536176	436846988	/nfs/dbraw/zinc/84/69/88/436846988.db2.gz	GVTVMUOSOKXFHB-NSHDSACASA-N	-1	3	328.328	0.719	50	0		ECAAHM
CCOCCS(=O)(=O)[N-]CC(=O)N1CCN(C)c2ccccc21	ZINC000268226172	437386628	/nfs/dbraw/zinc/38/66/28/437386628.db2.gz	MRQZCKVMBDKYFX-UHFFFAOYSA-N	-1	3	341.433	0.425	50	0		ECAAHM
Cn1cc(-c2nccnc2C[N-]S(=O)(=O)c2cnn(C)c2)cn1	ZINC000575619694	438752146	/nfs/dbraw/zinc/75/21/46/438752146.db2.gz	MEXCNOLZZOWWLS-UHFFFAOYSA-N	-1	3	333.377	0.089	50	0		ECAAHM
Cc1cc(C(F)(F)F)nc(CNC(=O)c2c[nH]c(=O)[n-]c2=O)n1	ZINC000584890691	439624999	/nfs/dbraw/zinc/62/49/99/439624999.db2.gz	QDXZXPOVYNOWIP-UHFFFAOYSA-N	-1	3	329.238	0.935	50	0		ECAAHM
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nc(C)ccc1[O-]	ZINC000330573302	320839706	/nfs/dbraw/zinc/83/97/06/320839706.db2.gz	KPACLYQHDGUCFU-LBPRGKRZSA-N	-1	3	341.433	0.221	50	0		ECAAHM
COc1nc(C[N-]S(=O)(=O)c2cccs2)nc(N(C)C)n1	ZINC000575603988	546281915	/nfs/dbraw/zinc/28/19/15/546281915.db2.gz	NLSOEKKMGHLCPG-UHFFFAOYSA-N	-1	3	329.407	0.486	50	0		ECAAHM
O=c1[nH]nc2n1CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)CC2	ZINC000169783213	609747053	/nfs/dbraw/zinc/74/70/53/609747053.db2.gz	AJVXGBDZCNWDTL-ZETCQYMHSA-N	-1	3	348.837	0.970	50	0		ECAAHM
C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)C[C@@H](c2ccccc2)O1	ZINC000067829900	215222607	/nfs/dbraw/zinc/22/26/07/215222607.db2.gz	KWCBECJWPBBYRM-BNOWGMLFSA-N	-1	3	331.372	0.963	50	0		ECAAHM
Cc1nc(S(=O)(=O)[N-]C[C@H]2CCN(Cc3cccnc3)C2)cn1C	ZINC000067954502	215258596	/nfs/dbraw/zinc/25/85/96/215258596.db2.gz	KDFGCNMLMYMWEH-OAHLLOKOSA-N	-1	3	349.460	0.924	50	0		ECAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)N1	ZINC000040481186	213314966	/nfs/dbraw/zinc/31/49/66/213314966.db2.gz	VJDGRQOEPWKSNK-UHFFFAOYSA-N	-1	3	327.337	0.188	50	0		ECAAHM
Cc1ccccc1OC[C@@H](O)C(=O)N1CCc2c(=O)[n-]cnc2C1	ZINC000072132095	216022460	/nfs/dbraw/zinc/02/24/60/216022460.db2.gz	AEPIEDYVNSBLKS-CQSZACIVSA-N	-1	3	329.356	0.403	50	0		ECAAHM
Cc1cccc(CN2CCN(C(=O)Cc3c[nH]c(=O)[n-]c3=O)CC2)c1	ZINC000072425822	216216071	/nfs/dbraw/zinc/21/60/71/216216071.db2.gz	LLYQKWJWMADRPG-UHFFFAOYSA-N	-1	3	342.399	0.259	50	0		ECAAHM
CN(Cc1nccn1Cc1ccccc1)C(=O)C[C@H]1NC(=O)[N-]C1=O	ZINC000215375884	241122681	/nfs/dbraw/zinc/12/26/81/241122681.db2.gz	LTAUGXXJGURRNU-CYBMUJFWSA-N	-1	3	341.371	0.488	50	0		ECAAHM
CC(C)N1C[C@@H](C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)CC1=O	ZINC000078914760	217147395	/nfs/dbraw/zinc/14/73/95/217147395.db2.gz	BNEUWCFKSYTWTL-VIFPVBQESA-N	-1	3	330.344	0.824	50	0		ECAAHM
CC(C)N1C[C@@H](C(=O)Nc2cccc3c(=O)[n-][nH]c(=O)c23)CC1=O	ZINC000078914760	217147400	/nfs/dbraw/zinc/14/74/00/217147400.db2.gz	BNEUWCFKSYTWTL-VIFPVBQESA-N	-1	3	330.344	0.824	50	0		ECAAHM
Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N3CCOCC3)nc2n1	ZINC000013126782	211526151	/nfs/dbraw/zinc/52/61/51/211526151.db2.gz	UIEHFGSXGIHTCE-UHFFFAOYSA-N	-1	3	334.401	0.886	50	0		ECAAHM
O=C(NCC[N-]S(=O)(=O)c1cccc2nonc21)c1cccnc1	ZINC000012321440	211346073	/nfs/dbraw/zinc/34/60/73/211346073.db2.gz	DMLXGNZDEMIATD-UHFFFAOYSA-N	-1	3	347.356	0.326	50	0		ECAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC(OCc2ccccn2)CC1	ZINC000091551240	218021078	/nfs/dbraw/zinc/02/10/78/218021078.db2.gz	WFDPBOWVFPQRET-CQSZACIVSA-N	-1	3	346.387	0.577	50	0		ECAAHM
CN(C)CCNc1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1	ZINC000096152293	218628494	/nfs/dbraw/zinc/62/84/94/218628494.db2.gz	FMXJPSACYPOENO-UHFFFAOYSA-N	-1	3	337.424	0.649	50	0		ECAAHM
COc1ccc2c(c1)C[C@@H](C(=O)N(CCN(C)C)CC(=O)[O-])CO2	ZINC000299747750	258008299	/nfs/dbraw/zinc/00/82/99/258008299.db2.gz	DXVFIYJDRFDSHT-CYBMUJFWSA-N	-1	3	336.388	0.721	50	0		ECAAHM
O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000279397038	263878618	/nfs/dbraw/zinc/87/86/18/263878618.db2.gz	GNLNJGLVDFUPDS-QGZVFWFLSA-N	-1	3	329.356	0.365	50	0		ECAAHM
CC(C)[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC1	ZINC000002127131	435963516	/nfs/dbraw/zinc/96/35/16/435963516.db2.gz	DHNDSUHNNQOIST-STQMWFEESA-N	-1	3	327.425	0.434	50	0		ECAAHM
Cc1cc(C)n2nc(C(=O)N3CCc4c(nc(N)[n-]c4=O)C3)cc2n1	ZINC000071756807	436009481	/nfs/dbraw/zinc/00/94/81/436009481.db2.gz	LXLCLCXYNBHFIS-UHFFFAOYSA-N	-1	3	339.359	0.210	50	0		ECAAHM
CN(C)c1cc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)ccn1	ZINC000072277539	436039471	/nfs/dbraw/zinc/03/94/71/436039471.db2.gz	PWBWMSPLLSXNMF-UHFFFAOYSA-N	-1	3	325.328	0.930	50	0		ECAAHM
CN(C)c1cc(C(=O)Nc2cccc3c(=O)[n-][nH]c(=O)c23)ccn1	ZINC000072277539	436039475	/nfs/dbraw/zinc/03/94/75/436039475.db2.gz	PWBWMSPLLSXNMF-UHFFFAOYSA-N	-1	3	325.328	0.930	50	0		ECAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCc1ccco1	ZINC000031618460	436231599	/nfs/dbraw/zinc/23/15/99/436231599.db2.gz	MQIBFOPIWACTPZ-UHFFFAOYSA-N	-1	3	337.357	0.866	50	0		ECAAHM
Cc1cccc(N2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2)c1	ZINC000048277025	436445996	/nfs/dbraw/zinc/44/59/96/436445996.db2.gz	HHLIKXFDCJWMCD-CQSZACIVSA-N	-1	3	330.388	0.632	50	0		ECAAHM
O=C(Cn1[n-]c(=O)ccc1=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000089834891	436417747	/nfs/dbraw/zinc/41/77/47/436417747.db2.gz	JZGZPXNBWXFZPU-AWEZNQCLSA-N	-1	3	328.372	0.340	50	0		ECAAHM
O=C(Cn1nnc2ccccc2c1=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000047342851	436417975	/nfs/dbraw/zinc/41/79/75/436417975.db2.gz	KNHKZNVOHROOLI-UHFFFAOYSA-N	-1	3	348.326	0.032	50	0		ECAAHM
CS(=O)(=O)N1C[C@H]2CN(Cc3cccc(O)c3)C[C@@]2(C(=O)[O-])C1	ZINC000096162458	436517392	/nfs/dbraw/zinc/51/73/92/436517392.db2.gz	IPXLQPUTXLKBRW-IUODEOHRSA-N	-1	3	340.401	0.170	50	0		ECAAHM
Nc1n[nH]c(CCNc2nc3c(c(=O)[n-]2)Cc2ccccc2OC3)n1	ZINC000095522883	436498822	/nfs/dbraw/zinc/49/88/22/436498822.db2.gz	LSHGYYRUEDJJQP-UHFFFAOYSA-N	-1	3	339.359	0.608	50	0		ECAAHM
CC(=O)N1CCN(CC[N-]S(=O)(=O)c2cc(F)cc(F)c2)CC1	ZINC000058178237	436620290	/nfs/dbraw/zinc/62/02/90/436620290.db2.gz	SEOUUSHNRUPQGH-UHFFFAOYSA-N	-1	3	347.387	0.407	50	0		ECAAHM
CCOc1nccnc1N1CC[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C1	ZINC000065268837	436653647	/nfs/dbraw/zinc/65/36/47/436653647.db2.gz	LEEBSJVWFCSQIP-JTQLQIEISA-N	-1	3	338.393	0.156	50	0		ECAAHM
Cc1cc(=O)[n-]c(NCCNc2nccc(N3CCC[C@H](O)C3)n2)n1	ZINC000065380980	436655093	/nfs/dbraw/zinc/65/50/93/436655093.db2.gz	RTMJVZFJACOYLP-LBPRGKRZSA-N	-1	3	345.407	0.353	50	0		ECAAHM
CN(C)S(=O)(=O)N[C@@H](Cn1c([O-])coc1=O)c1ccccc1	ZINC000225638552	436712379	/nfs/dbraw/zinc/71/23/79/436712379.db2.gz	PEZMNYJPJUQYFR-NSHDSACASA-N	-1	3	327.362	0.103	50	0		ECAAHM
COc1ccccc1S(=O)(=O)N1CC[C@@H](n2c([O-])coc2=O)C1	ZINC000225703590	436713076	/nfs/dbraw/zinc/71/30/76/436713076.db2.gz	OLMGYPNJVNIGPB-SNVBAGLBSA-N	-1	3	340.357	0.437	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)o1	ZINC000069484942	436775650	/nfs/dbraw/zinc/77/56/50/436775650.db2.gz	HPJKYWIAXQMVLG-RYUDHWBXSA-N	-1	3	341.433	0.887	50	0		ECAAHM
CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[n-]n2c1=O	ZINC000252550185	436838678	/nfs/dbraw/zinc/83/86/78/436838678.db2.gz	SERPNIZVGIVJCA-BXKDBHETSA-N	-1	3	336.392	0.492	50	0		ECAAHM
CCc1nocc1CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C)nc1	ZINC000294009584	436926165	/nfs/dbraw/zinc/92/61/65/436926165.db2.gz	MHVRSEQLVXTLKI-UHFFFAOYSA-N	-1	3	338.389	0.812	50	0		ECAAHM
Cn1ncc2c1nc(CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1)[n-]c2=O	ZINC000052828176	303059501	/nfs/dbraw/zinc/05/95/01/303059501.db2.gz	GELBRNCKBJIOPS-STQMWFEESA-N	-1	3	347.419	0.817	50	0		ECAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](OC)C2CC2)cn1	ZINC000408520766	438581742	/nfs/dbraw/zinc/58/17/42/438581742.db2.gz	WCNCXUIARQRCDO-TVQRCGJNSA-N	-1	3	327.406	0.533	50	0		ECAAHM
O=C([C@H]1CCc2ccccc2O1)N1CC(Cn2c([O-])coc2=O)C1	ZINC000575617217	438752043	/nfs/dbraw/zinc/75/20/43/438752043.db2.gz	UNTMRFRCPKFBGD-CQSZACIVSA-N	-1	3	330.340	0.817	50	0		ECAAHM
CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000585130275	439633738	/nfs/dbraw/zinc/63/37/38/439633738.db2.gz	LZLNRQFYWWAAOG-CYBMUJFWSA-N	-1	3	331.376	0.629	50	0		ECAAHM
O=C(CN1CC(=O)[N-]C1=O)NC[C@H](c1cccnc1)N1CCCCC1	ZINC000584885109	439624298	/nfs/dbraw/zinc/62/42/98/439624298.db2.gz	JQZWONILKKEHMP-CQSZACIVSA-N	-1	3	345.403	0.277	50	0		ECAAHM
O=C1c2cccnc2C(=O)N1CC[N-]S(=O)(=O)c1cccs1	ZINC000244092569	545934809	/nfs/dbraw/zinc/93/48/09/545934809.db2.gz	UEPXREQOUFJVJU-UHFFFAOYSA-N	-1	3	337.382	0.718	50	0		ECAAHM