smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ncc(C[N@@H+]2CC[C@]3(C2)NC(=O)NC3=O)n1-c1ccccc1	ZINC000376819494	301294903	/nfs/dbraw/zinc/29/49/03/301294903.db2.gz	SUTWGJPHNVZUAY-QGZVFWFLSA-N	-1	1	325.372	0.965	10	0		ECAEMM
O=C([O-])C[NH+]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3F)n2)CC1	ZINC000073696071	202372014	/nfs/dbraw/zinc/37/20/14/202372014.db2.gz	ZXGMLTWSDICCLD-UHFFFAOYSA-N	-1	1	346.362	0.778	10	0		ECAEMM
C[C@@H](CN(C)C(=O)[C@H](C)NC(=O)Nc1ccccc1)c1nn[n-]n1	ZINC000124296387	201095878	/nfs/dbraw/zinc/09/58/78/201095878.db2.gz	NKGRDNHJJLTZEH-QWRGUYRKSA-N	-1	1	331.380	0.972	10	0		ECAEMM
CCOC(=O)CN1CCN([C@@H](CC(=O)c2ccccc2)C(=O)[O-])CC1	ZINC000022859838	201372668	/nfs/dbraw/zinc/37/26/68/201372668.db2.gz	BRQWIAOCVUYJKZ-HNNXBMFYSA-N	-1	1	348.399	0.893	10	0		ECAEMM
O=C([O-])c1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c(F)c1	ZINC000245463286	304249654	/nfs/dbraw/zinc/24/96/54/304249654.db2.gz	OOONDRBDCBFNPC-NSHDSACASA-N	-1	1	328.365	0.993	10	0		ECAEMM
O=S(=O)([N-][C@H]1CCc2ncnn2C1)c1cc(F)c(F)cc1F	ZINC000113298733	436636977	/nfs/dbraw/zinc/63/69/77/436636977.db2.gz	XGDHROUJHLUXTF-ZETCQYMHSA-N	-1	1	332.307	0.989	10	0		ECAEMM
CC(C)CN1CCO[C@H](CNC(=O)CN([C@@H](C)C(=O)[O-])C2CC2)C1	ZINC000263186664	436954568	/nfs/dbraw/zinc/95/45/68/436954568.db2.gz	UYKLWEZIBIMYFP-DZGCQCFKSA-N	-1	1	341.452	0.397	10	0		ECAEMM
O=C([O-])[C@@]1(N2CCN(C(=O)c3cccc4c[nH]nc43)CC2)CCOC1	ZINC000886096603	590795836	/nfs/dbraw/zinc/79/58/36/590795836.db2.gz	FVVJRBXDQQHIHK-QGZVFWFLSA-N	-1	1	344.371	0.564	10	0		ECAEMM
C[C@H](CN(C)C(=O)[C@H](C)NC(=O)Nc1ccccc1)c1nn[n-]n1	ZINC000124296559	201095186	/nfs/dbraw/zinc/09/51/86/201095186.db2.gz	NKGRDNHJJLTZEH-MNOVXSKESA-N	-1	1	331.380	0.972	10	0		ECAEMM
CNC(=O)[C@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)C(C)C	ZINC000178862087	437236192	/nfs/dbraw/zinc/23/61/92/437236192.db2.gz	PCZYULUCSMGOPF-OAHLLOKOSA-N	-1	1	333.392	0.069	10	0		ECAEMM
NS(=O)(=O)c1cccc(-c2ccnc(CO)c2)c1-c1nn[n-]n1	ZINC000584596444	439603272	/nfs/dbraw/zinc/60/32/72/439603272.db2.gz	DOSDOLFANUSZOE-UHFFFAOYSA-N	-1	1	332.345	0.068	10	0		ECAEMM
O=C([O-])[C@]1(N2CCN(C(=O)CCc3ccccn3)CC2)CCOC1	ZINC000886077568	590790778	/nfs/dbraw/zinc/79/07/78/590790778.db2.gz	KPMFXCGIBFTLEA-KRWDZBQOSA-N	-1	1	333.388	0.402	10	0		ECAEMM
CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CC[P@](=O)([O-])O	ZINC000031538469	201388304	/nfs/dbraw/zinc/38/83/04/201388304.db2.gz	UYGTVQNSPBEEPR-UHFFFAOYSA-N	-1	1	329.297	0.686	10	0		ECAEMM
CCC[C@H](N[C@H](C)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000262294180	165323771	/nfs/dbraw/zinc/32/37/71/165323771.db2.gz	OJEZWNAMHGXZJA-UPJWGTAASA-N	-1	1	348.465	0.644	10	0		ECAEMM
COC(=O)C(=O)[C@@H]1C(=O)C(O)=C(CCCCCCC(=O)[O-])C1=O	ZINC000169155680	436943214	/nfs/dbraw/zinc/94/32/14/436943214.db2.gz	LFMPQNTXQKMBIJ-WPRPVWTQSA-N	-1	1	326.301	0.107	10	0		ECAEMM
O=C(c1cncc([O-])c1)N1CCN(c2ccc3nncn3n2)CC1	ZINC000172364678	437012122	/nfs/dbraw/zinc/01/21/22/437012122.db2.gz	VRFJJGUPVCSKIR-UHFFFAOYSA-N	-1	1	325.332	0.187	10	0		ECAEMM
Cc1nc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C)c(Br)n1C	ZINC000287883791	437248108	/nfs/dbraw/zinc/24/81/08/437248108.db2.gz	QWENKKOKAYLLGM-POYBYMJQSA-N	-1	1	338.227	0.947	10	0		ECAEMM
COCC(=O)NC1CN(C(=O)c2cc(Br)ccc2[O-])C1	ZINC000186309100	437470555	/nfs/dbraw/zinc/47/05/55/437470555.db2.gz	CVRKFIDISIBDSJ-UHFFFAOYSA-N	-1	1	343.177	0.742	10	0		ECAEMM
O=S(=O)([N-]CCCN1CCOCC1)c1cnc(Cl)s1	ZINC000035356689	202300757	/nfs/dbraw/zinc/30/07/57/202300757.db2.gz	YYOYWBBDHMKFMH-UHFFFAOYSA-N	-1	1	325.843	0.797	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(c3cc[nH]n3)CC2)co1	ZINC000152708578	436738443	/nfs/dbraw/zinc/73/84/43/436738443.db2.gz	VZYLOEDYTQMMOR-UHFFFAOYSA-N	-1	1	338.389	0.931	10	0		ECAEMM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)[O-]	ZINC000002522615	279188490	/nfs/dbraw/zinc/18/84/90/279188490.db2.gz	JPVGHHQGKPQYIL-KBPBESRZSA-N	-1	1	335.404	0.288	10	0		ECAEMM
CCS(=O)(=O)N1C[C@@H]2CN(Cc3cncs3)C[C@]2(C(=O)[O-])C1	ZINC000096180572	436519559	/nfs/dbraw/zinc/51/95/59/436519559.db2.gz	OLNYQNBICDSJFI-GWCFXTLKSA-N	-1	1	345.446	0.311	10	0		ECAEMM
O=C([O-])[C@@]1(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)CCOC1	ZINC000886097204	590795759	/nfs/dbraw/zinc/79/57/59/590795759.db2.gz	TUELUYBBLIRDMP-QGZVFWFLSA-N	-1	1	336.363	0.756	10	0		ECAEMM
O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c1	ZINC000185011325	304225213	/nfs/dbraw/zinc/22/52/13/304225213.db2.gz	PFFGPUBZXHYPSL-GFCCVEGCSA-N	-1	1	328.365	0.993	10	0		ECAEMM
Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000174849797	301120468	/nfs/dbraw/zinc/12/04/68/301120468.db2.gz	NDTNAIMDSICOPB-QWRGUYRKSA-N	-1	1	343.387	0.641	10	0		ECAEMM
Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000174849797	301120472	/nfs/dbraw/zinc/12/04/72/301120472.db2.gz	NDTNAIMDSICOPB-QWRGUYRKSA-N	-1	1	343.387	0.641	10	0		ECAEMM
CN1CCN([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000536960504	439539893	/nfs/dbraw/zinc/53/98/93/439539893.db2.gz	VVWDHXQYWKHHHR-OLZOCXBDSA-N	-1	1	327.425	0.944	10	0		ECAEMM
CCC[C@@H](NCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-]	ZINC000262237420	165314355	/nfs/dbraw/zinc/31/43/55/165314355.db2.gz	ATDPRINFNVSDQN-GFCCVEGCSA-N	-1	1	333.344	0.694	10	0		ECAEMM
CCC[C@H](N[C@@H](C)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000262294184	165323841	/nfs/dbraw/zinc/32/38/41/165323841.db2.gz	OJEZWNAMHGXZJA-XQQFMLRXSA-N	-1	1	348.465	0.644	10	0		ECAEMM
CC(C)C[C@@H](NCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000034646545	436256763	/nfs/dbraw/zinc/25/67/63/436256763.db2.gz	XWFKAYOFZLZYMZ-UONOGXRCSA-N	-1	1	335.404	0.288	10	0		ECAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCn3nc(C)nc32)o1	ZINC000081813352	436356100	/nfs/dbraw/zinc/35/61/00/436356100.db2.gz	BTUUUCVTYJTJPL-VIFPVBQESA-N	-1	1	339.377	0.353	10	0		ECAEMM
CC(=O)N[C@@H]1CCCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1	ZINC000104853982	436566082	/nfs/dbraw/zinc/56/60/82/436566082.db2.gz	QANJLPUXGSCARO-CYBMUJFWSA-N	-1	1	345.403	0.309	10	0		ECAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)o1	ZINC000151351974	436701604	/nfs/dbraw/zinc/70/16/04/436701604.db2.gz	ULLXKUQBYQVEOQ-NHYWBVRUSA-N	-1	1	342.417	0.955	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)co1	ZINC000120422143	436686371	/nfs/dbraw/zinc/68/63/71/436686371.db2.gz	CHJCKIGJIGQHPI-RYUDHWBXSA-N	-1	1	328.390	0.971	10	0		ECAEMM
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C1	ZINC000263312245	436962520	/nfs/dbraw/zinc/96/25/20/436962520.db2.gz	IDNJCQVNTDBWTA-OKZRHMCRSA-N	-1	1	341.408	0.676	10	0		ECAEMM
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC000263483264	436968268	/nfs/dbraw/zinc/96/82/68/436968268.db2.gz	OOZVOQHBMDYBRT-VOMCLLRMSA-N	-1	1	327.381	0.430	10	0		ECAEMM
CC(C)CN1CCO[C@@H](CNC(=O)CN([C@H](C)C(=O)[O-])C2CC2)C1	ZINC000263186666	436954063	/nfs/dbraw/zinc/95/40/63/436954063.db2.gz	UYKLWEZIBIMYFP-HIFRSBDPSA-N	-1	1	341.452	0.397	10	0		ECAEMM
O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(C(F)(F)F)cc1[O-]	ZINC000180382025	437289365	/nfs/dbraw/zinc/28/93/65/437289365.db2.gz	IBFPXBLJPBTBDA-LLVKDONJSA-N	-1	1	348.321	0.834	10	0		ECAEMM
Cn1c([O-])c(Cc2ccccc2)c(=O)c2c(=O)n(C)c(=O)n(C)c21	ZINC000104331604	219375363	/nfs/dbraw/zinc/37/53/63/219375363.db2.gz	BAHDZUDPHGXVLJ-UHFFFAOYSA-N	-1	1	327.340	0.232	10	0		ECAEMM
NC(=O)[C@H]1COCCN1C(=O)c1cc(Br)ccc1[O-]	ZINC000180274503	295158332	/nfs/dbraw/zinc/15/83/32/295158332.db2.gz	ILYFDWMBHLKRJC-SECBINFHSA-N	-1	1	329.150	0.481	10	0		ECAEMM
CN1CCN([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000536960506	439540806	/nfs/dbraw/zinc/54/08/06/439540806.db2.gz	VVWDHXQYWKHHHR-QWHCGFSZSA-N	-1	1	327.425	0.944	10	0		ECAEMM
O=C([O-])[C@]1(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)CCOC1	ZINC000886094765	590795071	/nfs/dbraw/zinc/79/50/71/590795071.db2.gz	DQMWCZCMZRLEMH-ZDUSSCGKSA-N	-1	1	346.309	0.861	10	0		ECAEMM
O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1cc(Br)c[nH]1	ZINC000020214183	212111877	/nfs/dbraw/zinc/11/18/77/212111877.db2.gz	BAGBFYKHZUSGFU-SECBINFHSA-N	-1	1	327.138	0.926	10	0		ECAEMM
CN1CCN(C(=O)CN2CCOc3ccccc3C2)C[C@H]1C(=O)[O-]	ZINC000067742365	215200532	/nfs/dbraw/zinc/20/05/32/215200532.db2.gz	DJCIZBCSBPRZNQ-AWEZNQCLSA-N	-1	1	333.388	0.108	10	0		ECAEMM
CN1CCN(C(=O)c2[nH]nc(N)c2-c2ccccc2)C[C@H]1C(=O)[O-]	ZINC000067851266	215232064	/nfs/dbraw/zinc/23/20/64/215232064.db2.gz	PKFRMVJTCZEHQZ-NSHDSACASA-N	-1	1	329.360	0.500	10	0		ECAEMM
CC(=O)NCCN(C(=O)[C@H](C)N(C)Cc1ccccc1)[C@H](C)C(=O)[O-]	ZINC000262235586	278106602	/nfs/dbraw/zinc/10/66/02/278106602.db2.gz	NVDILSVYQDQGNI-UONOGXRCSA-N	-1	1	349.431	0.945	10	0		ECAEMM
O=C([O-])C[N@@H+](CC1CC1)C1CC(NS(=O)(=O)c2ccccn2)C1	ZINC000263476890	436968071	/nfs/dbraw/zinc/96/80/71/436968071.db2.gz	JNECDAVLIJGMFQ-UHFFFAOYSA-N	-1	1	339.417	0.688	10	0		ECAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)o1	ZINC000177794790	437197921	/nfs/dbraw/zinc/19/79/21/437197921.db2.gz	IYPORFDVFSKCBT-LLVKDONJSA-N	-1	1	338.389	0.689	10	0		ECAEMM
O=C([O-])[C@]1(N2CCN(c3cc(N4CCCC4)ncn3)CC2)CCOC1	ZINC000886094696	590794610	/nfs/dbraw/zinc/79/46/10/590794610.db2.gz	CBUJCGQZVLGOFT-KRWDZBQOSA-N	-1	1	347.419	0.443	10	0		ECAEMM
O=C(NC[C@@H](O)CN1CCOCC1)c1ccc2ccc(O)cc2c1[O-]	ZINC000828589443	591169355	/nfs/dbraw/zinc/16/93/55/591169355.db2.gz	FEZVQMNVXRBYFA-CQSZACIVSA-N	-1	1	346.383	0.674	10	0		ECAEMM
O=C([O-])[C@@H]1CN(C(=O)c2cnc3cc(Cl)ccc3c2[O-])CC[NH2+]1	ZINC000071747406	608643598	/nfs/dbraw/zinc/64/35/98/608643598.db2.gz	OJIZKIFYFSODSE-LBPRGKRZSA-N	-1	1	335.747	0.680	10	0		ECAEMM
Cc1cc(C(C)C)nc(N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)n1	ZINC000329918848	320795571	/nfs/dbraw/zinc/79/55/71/320795571.db2.gz	GDBKNSPMSSMMDP-UHFFFAOYSA-N	-1	1	331.424	0.652	10	0		ECAEMM
C[N@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)CCO1	ZINC000262947441	436946049	/nfs/dbraw/zinc/94/60/49/436946049.db2.gz	OFZOEQOGSKMVKL-ZDUSSCGKSA-N	-1	1	336.344	0.242	10	0		ECAEMM
COCC(=O)NC1CN(C(=O)c2ccc(Br)cc2[O-])C1	ZINC000186310766	437469615	/nfs/dbraw/zinc/46/96/15/437469615.db2.gz	ZAHDRHKJNQEBIL-UHFFFAOYSA-N	-1	1	343.177	0.742	10	0		ECAEMM
CN1CCN(C(=O)CN2CCOc3ccccc3C2)C[C@@H]1C(=O)[O-]	ZINC000067742364	215201182	/nfs/dbraw/zinc/20/11/82/215201182.db2.gz	DJCIZBCSBPRZNQ-CQSZACIVSA-N	-1	1	333.388	0.108	10	0		ECAEMM
CNc1cc(C)nc(N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)n1	ZINC000095384361	218316862	/nfs/dbraw/zinc/31/68/62/218316862.db2.gz	OCRQYCAPLZALSV-LLVKDONJSA-N	-1	1	333.392	0.729	10	0		ECAEMM
Cc1cc(=O)[n-]c(SCC(=O)NN2C(=O)c3ccccc3C2=O)n1	ZINC000015777317	436083220	/nfs/dbraw/zinc/08/32/20/436083220.db2.gz	AHHXXRANNSWEJE-UHFFFAOYSA-N	-1	1	344.352	0.498	10	0		ECAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)o1	ZINC000151351869	436701725	/nfs/dbraw/zinc/70/17/25/436701725.db2.gz	ULLXKUQBYQVEOQ-ABAIWWIYSA-N	-1	1	342.417	0.955	10	0		ECAEMM
C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000263165013	436953707	/nfs/dbraw/zinc/95/37/07/436953707.db2.gz	ITOATEURALDJEM-CKYFFXLPSA-N	-1	1	344.371	0.860	10	0		ECAEMM
O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1[nH]nc2c1CCCC2	ZINC000102140458	588912142	/nfs/dbraw/zinc/91/21/42/588912142.db2.gz	BJGWJPUNHFHMIU-SNVBAGLBSA-N	-1	1	327.406	0.917	10	0		ECAEMM
CN1CCN(C(=O)c2[nH]nc(N)c2-c2ccccc2)C[C@@H]1C(=O)[O-]	ZINC000067851265	215231665	/nfs/dbraw/zinc/23/16/65/215231665.db2.gz	PKFRMVJTCZEHQZ-LLVKDONJSA-N	-1	1	329.360	0.500	10	0		ECAEMM
CCS(=O)(=O)N1C[C@@H]2CN(Cc3cc(C)no3)C[C@]2(C(=O)[O-])C1	ZINC000096150763	436518282	/nfs/dbraw/zinc/51/82/82/436518282.db2.gz	HEWGJANXVQGKIN-FZMZJTMJSA-N	-1	1	343.405	0.151	10	0		ECAEMM
O=C([O-])[C@H]1Cc2nc[nH]c2CN1C(=O)Cn1[nH]c2ccccc2c1=O	ZINC000095498388	436496397	/nfs/dbraw/zinc/49/63/97/436496397.db2.gz	YCRCEEFYZPQEGR-CYBMUJFWSA-N	-1	1	341.327	0.091	10	0		ECAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)o1	ZINC000116229510	436649319	/nfs/dbraw/zinc/64/93/19/436649319.db2.gz	BILTYNUCFNTXSH-SNVBAGLBSA-N	-1	1	338.389	0.551	10	0		ECAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)o1	ZINC000125679828	436774072	/nfs/dbraw/zinc/77/40/72/436774072.db2.gz	PLMCLRUUZFZJFU-UHFFFAOYSA-N	-1	1	338.389	0.931	10	0		ECAEMM
C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@@H]1N1CCOCC1	ZINC000177232304	437175617	/nfs/dbraw/zinc/17/56/17/437175617.db2.gz	ZMVUQYDLNJEWCJ-DOMZBBRYSA-N	-1	1	342.399	0.716	10	0		ECAEMM
COc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)cn1	ZINC000584596818	439604242	/nfs/dbraw/zinc/60/42/42/439604242.db2.gz	MESZSSFHHIGVGA-UHFFFAOYSA-N	-1	1	332.345	0.585	10	0		ECAEMM
NC(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)cc1	ZINC000584611864	439604593	/nfs/dbraw/zinc/60/45/93/439604593.db2.gz	QKQSMEZWDKRIFV-UHFFFAOYSA-N	-1	1	344.356	0.280	10	0		ECAEMM
O=S(=O)([N-][C@H]1CCOC[C@@H]1O)c1sccc1Br	ZINC000625599021	547164933	/nfs/dbraw/zinc/16/49/33/547164933.db2.gz	VUGRGSBBOUSWSS-YUMQZZPRSA-N	-1	1	342.236	0.939	10	0		ECAEMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC(NC(=O)C2CC2)C1	ZINC000189409151	437598777	/nfs/dbraw/zinc/59/87/77/437598777.db2.gz	CVXDUXSNVFBZBI-UHFFFAOYSA-N	-1	1	332.404	0.726	10	0		ECAEMM
CCC1CCC([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	ZINC000077617610	436245394	/nfs/dbraw/zinc/24/53/94/436245394.db2.gz	CHKQHOSFCZIXPM-UHFFFAOYSA-N	-1	1	329.422	0.331	10	0		ECAEMM
CN1c2c(nc(N)[nH]c2=O)NC[C@@H]1CNc1ccc(C(=O)[O-])cc1	ZINC000098207756	436545451	/nfs/dbraw/zinc/54/54/51/436545451.db2.gz	OCWWMSJBVHBZEF-JTQLQIEISA-N	-1	1	330.348	0.393	10	0	in-vitro	ECAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@@H]1C(=O)N(C)C	ZINC000109050107	436622952	/nfs/dbraw/zinc/62/29/52/436622952.db2.gz	RFIQKTPGIKOUTO-CYBMUJFWSA-N	-1	1	345.403	0.261	10	0		ECAEMM
Cn1c(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nnc1C1CC1	ZINC000886071902	590789682	/nfs/dbraw/zinc/78/96/82/590789682.db2.gz	PFKWQUZYTNOSRI-MRXNPFEDSA-N	-1	1	335.408	0.054	10	0		ECAEMM
O=C([O-])[C@@]1(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)CCOC1	ZINC000886094764	590794460	/nfs/dbraw/zinc/79/44/60/590794460.db2.gz	DQMWCZCMZRLEMH-CYBMUJFWSA-N	-1	1	346.309	0.861	10	0		ECAEMM
Cc1[nH]nc(CN2CCN(C(=O)CCC(=O)[O-])C[C@H](O)C2)c1Cl	ZINC000097717082	219050242	/nfs/dbraw/zinc/05/02/42/219050242.db2.gz	QDSJPBKUUCIUKH-SNVBAGLBSA-N	-1	1	344.799	0.241	10	0		ECAEMM
CCOC(=O)CN1CCN([C@H](CC(=O)c2ccccc2)C(=O)[O-])CC1	ZINC000022859840	212329575	/nfs/dbraw/zinc/32/95/75/212329575.db2.gz	BRQWIAOCVUYJKZ-OAHLLOKOSA-N	-1	1	348.399	0.893	10	0		ECAEMM
COC(=O)c1n[n-]c([C@H]2OC[C@H]3OC(C)(C)O[C@@H]32)c1C(=O)OC	ZINC000016952752	436098010	/nfs/dbraw/zinc/09/80/10/436098010.db2.gz	HVHHEWNJKVREBW-LIEZGIJOSA-N	-1	1	326.305	0.574	10	0		ECAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCn3nc(C)nc32)o1	ZINC000081813354	436356995	/nfs/dbraw/zinc/35/69/95/436356995.db2.gz	BTUUUCVTYJTJPL-SECBINFHSA-N	-1	1	339.377	0.353	10	0		ECAEMM
CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000177015184	437165426	/nfs/dbraw/zinc/16/54/26/437165426.db2.gz	BQVQFXLAZHPIJF-NSHDSACASA-N	-1	1	345.403	0.888	10	0		ECAEMM
CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000177015184	437165429	/nfs/dbraw/zinc/16/54/29/437165429.db2.gz	BQVQFXLAZHPIJF-NSHDSACASA-N	-1	1	345.403	0.888	10	0		ECAEMM
COCc1nc(C)cc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1	ZINC000886095347	590794451	/nfs/dbraw/zinc/79/44/51/590794451.db2.gz	SUGXHBQPHZJYHH-INIZCTEOSA-N	-1	1	336.392	0.297	10	0		ECAEMM
O=C([O-])c1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c(F)c1	ZINC000174273673	304249663	/nfs/dbraw/zinc/24/96/63/304249663.db2.gz	OOONDRBDCBFNPC-LLVKDONJSA-N	-1	1	328.365	0.993	10	0		ECAEMM
O=C1N[C@@H]2CCCC[C@H]2C[C@H]1S(=O)(=O)c1nc2cnc[n-]c-2n1	ZINC000333379287	297129839	/nfs/dbraw/zinc/12/98/39/297129839.db2.gz	AOTVNCWZTUIUCA-IQJOONFLSA-N	-1	1	335.389	0.574	10	0		ECAEMM
O=C1N[C@@H]2CCCC[C@H]2C[C@H]1S(=O)(=O)c1nc2cncnc2[n-]1	ZINC000333379287	297129841	/nfs/dbraw/zinc/12/98/41/297129841.db2.gz	AOTVNCWZTUIUCA-IQJOONFLSA-N	-1	1	335.389	0.574	10	0		ECAEMM
O=C1N[C@@H]2CCCC[C@H]2C[C@H]1S(=O)(=O)c1nc2c[n-]cnc-2n1	ZINC000333379287	297129842	/nfs/dbraw/zinc/12/98/42/297129842.db2.gz	AOTVNCWZTUIUCA-IQJOONFLSA-N	-1	1	335.389	0.574	10	0		ECAEMM
Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000174849808	301125131	/nfs/dbraw/zinc/12/51/31/301125131.db2.gz	NDTNAIMDSICOPB-WDEREUQCSA-N	-1	1	343.387	0.641	10	0		ECAEMM
Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000174849808	301125134	/nfs/dbraw/zinc/12/51/34/301125134.db2.gz	NDTNAIMDSICOPB-WDEREUQCSA-N	-1	1	343.387	0.641	10	0		ECAEMM
Cc1nc(S(=O)(=O)[N-]CC(=O)C(C)C)c(Br)n1C	ZINC000287672499	437219094	/nfs/dbraw/zinc/21/90/94/437219094.db2.gz	DHPDDZAFEFPJAK-UHFFFAOYSA-N	-1	1	338.227	0.994	10	0		ECAEMM
[NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000002384973	571682530	/nfs/dbraw/zinc/68/25/30/571682530.db2.gz	FBTYOQIYBULKEH-ZFWWWQNUSA-N	-1	1	341.371	0.573	10	0	endogenous,in-man	ECAEMM
COC(=O)c1n[n-]c([C@@H]2OC[C@H]3OC(C)(C)O[C@@H]32)c1C(=O)OC	ZINC000016952750	436096687	/nfs/dbraw/zinc/09/66/87/436096687.db2.gz	HVHHEWNJKVREBW-DADVEIPYSA-N	-1	1	326.305	0.574	10	0		ECAEMM
CC(C)CN1CCO[C@H](CNC(=O)CN([C@H](C)C(=O)[O-])C2CC2)C1	ZINC000263186668	436954350	/nfs/dbraw/zinc/95/43/50/436954350.db2.gz	UYKLWEZIBIMYFP-UKRRQHHQSA-N	-1	1	341.452	0.397	10	0		ECAEMM
O=C(NC[C@@H]1C[C@H](F)CN1Cc1cncnc1)c1cncc([O-])c1	ZINC000583621425	439487977	/nfs/dbraw/zinc/48/79/77/439487977.db2.gz	HYKPDJHQYFUQBZ-KBPBESRZSA-N	-1	1	331.351	0.920	10	0		ECAEMM
C[C@@H]1CN(Cn2[n-]c(-c3ccccn3)nc2=S)C[C@H](C(N)=O)O1	ZINC000120166340	590092976	/nfs/dbraw/zinc/09/29/76/590092976.db2.gz	LZNYKNVRPAECMB-MWLCHTKSSA-N	-1	1	334.405	0.535	10	0		ECAEMM
CCC[C@@H](NCC(=O)NCCCN1CCCCCC1=O)C(=O)[O-]	ZINC000262283940	283560362	/nfs/dbraw/zinc/56/03/62/283560362.db2.gz	LPVJJKFQQOMUHP-CYBMUJFWSA-N	-1	1	327.425	0.738	10	0		ECAEMM
CCC[C@H](N[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-]	ZINC000262264204	283933529	/nfs/dbraw/zinc/93/35/29/283933529.db2.gz	HAQYSPUIIGWLNH-STQMWFEESA-N	-1	1	335.408	0.357	10	0		ECAEMM
CCC[C@@H](N[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-]	ZINC000262264203	436919522	/nfs/dbraw/zinc/91/95/22/436919522.db2.gz	HAQYSPUIIGWLNH-QWHCGFSZSA-N	-1	1	335.408	0.357	10	0		ECAEMM
C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000124295943	436748504	/nfs/dbraw/zinc/74/85/04/436748504.db2.gz	NKGRDNHJJLTZEH-WDEREUQCSA-N	-1	1	331.380	0.972	10	0		ECAEMM
COC(=O)C(=O)[C@H]1C(=O)C(O)=C(CCCCCCC(=O)[O-])C1=O	ZINC000169155596	436942657	/nfs/dbraw/zinc/94/26/57/436942657.db2.gz	LFMPQNTXQKMBIJ-WCBMZHEXSA-N	-1	1	326.301	0.107	10	0		ECAEMM
O=C([O-])[C@@]1(N2CCN(Cc3nnc4n3CCCCC4)CC2)CCOC1	ZINC000886072028	590789566	/nfs/dbraw/zinc/78/95/66/590789566.db2.gz	ZKLMJTJKQDIIKI-QGZVFWFLSA-N	-1	1	349.435	0.366	10	0		ECAEMM
O=C([O-])[C@@]1(N2CCN(C(=O)Cc3cccc(F)c3)CC2)CCOC1	ZINC000886096929	590795724	/nfs/dbraw/zinc/79/57/24/590795724.db2.gz	OXIGADMGAFFKIY-QGZVFWFLSA-N	-1	1	336.363	0.756	10	0		ECAEMM
COC[C@@H](CCOC[P@](=O)([O-])O)n1cnc2c1ncnc2N	ZINC000038356354	213207524	/nfs/dbraw/zinc/20/75/24/213207524.db2.gz	ZJJCHJPFWDFCRS-MRVPVSSYSA-N	-1	1	331.269	0.138	10	0		ECAEMM
COC(=O)[C@@]1(C)CCCN1C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000187624280	533122270	/nfs/dbraw/zinc/12/22/70/533122270.db2.gz	WWVUHHYAZRDTRO-QGZVFWFLSA-N	-1	1	346.387	0.736	10	0		ECAEMM
NC(=O)[C@@]1(O)CCCN(C(=O)c2cc(Br)ccc2[O-])C1	ZINC000285657088	264329967	/nfs/dbraw/zinc/32/99/67/264329967.db2.gz	UTVGIILEVUWPKM-CYBMUJFWSA-N	-1	1	343.177	0.607	10	0		ECAEMM
CCC[C@H](N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000262298996	278945355	/nfs/dbraw/zinc/94/53/55/278945355.db2.gz	PSAXQLKUDWLNDI-CABZTGNLSA-N	-1	1	343.405	0.504	10	0		ECAEMM
NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)cc1[O-]	ZINC000091810308	295120426	/nfs/dbraw/zinc/12/04/26/295120426.db2.gz	JDHOQDQEHAEWTB-VIFPVBQESA-N	-1	1	329.150	0.481	10	0		ECAEMM
C[N@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)CCO1	ZINC000262947435	436946827	/nfs/dbraw/zinc/94/68/27/436946827.db2.gz	OFZOEQOGSKMVKL-CYBMUJFWSA-N	-1	1	336.344	0.242	10	0		ECAEMM
O=C([O-])c1ccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)s1	ZINC000035426954	213027848	/nfs/dbraw/zinc/02/78/48/213027848.db2.gz	YMRQOFNOCBDDAG-LURJTMIESA-N	-1	1	325.389	0.375	10	0		ECAEMM
O=C(c1cccnc1)N1CCc2c(=O)[n-]c(N3CCCC3)nc2C1	ZINC000072346931	216161027	/nfs/dbraw/zinc/16/10/27/216161027.db2.gz	BIJHIPBOQMBXNJ-UHFFFAOYSA-N	-1	1	325.372	0.964	10	0		ECAEMM
Cc1ccc2c([O-])c(C(=O)N3CC(NC(=O)C4CC4)C3)cnc2n1	ZINC000189048592	165005671	/nfs/dbraw/zinc/00/56/71/165005671.db2.gz	OWNXSIUCCVJTJL-UHFFFAOYSA-N	-1	1	326.356	0.994	10	0		ECAEMM
Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(NC(=O)C3CC3)C1)c2=O	ZINC000189048592	165005672	/nfs/dbraw/zinc/00/56/72/165005672.db2.gz	OWNXSIUCCVJTJL-UHFFFAOYSA-N	-1	1	326.356	0.994	10	0		ECAEMM
CCC[C@H](N[C@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000262294174	165323777	/nfs/dbraw/zinc/32/37/77/165323777.db2.gz	OJEZWNAMHGXZJA-AGIUHOORSA-N	-1	1	348.465	0.644	10	0		ECAEMM
O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1[nH]nc2c1CCCC2	ZINC000102140457	588912274	/nfs/dbraw/zinc/91/22/74/588912274.db2.gz	BJGWJPUNHFHMIU-JTQLQIEISA-N	-1	1	327.406	0.917	10	0		ECAEMM
COC[C@H](CCOC[P@](=O)([O-])O)n1cnc2c1ncnc2N	ZINC000038356356	213208173	/nfs/dbraw/zinc/20/81/73/213208173.db2.gz	ZJJCHJPFWDFCRS-QMMMGPOBSA-N	-1	1	331.269	0.138	10	0		ECAEMM
O=C([O-])CSCC(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1	ZINC000262684132	304072102	/nfs/dbraw/zinc/07/21/02/304072102.db2.gz	BRYLULQSCHUEKU-UHFFFAOYSA-N	-1	1	330.406	0.248	10	0		ECAEMM
O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c1	ZINC000248882470	304225274	/nfs/dbraw/zinc/22/52/74/304225274.db2.gz	PFFGPUBZXHYPSL-LBPRGKRZSA-N	-1	1	328.365	0.993	10	0		ECAEMM
CC(=O)NC1CN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1	ZINC000191510291	526706093	/nfs/dbraw/zinc/70/60/93/526706093.db2.gz	GEFSRXYYSKKXLV-UHFFFAOYSA-N	-1	1	331.376	0.331	10	0		ECAEMM
CCC(CC)(CNC(=O)NCCCN1CCC[C@@H]1C(N)=O)C(=O)[O-]	ZINC000263066215	282099349	/nfs/dbraw/zinc/09/93/49/282099349.db2.gz	OEFBSEJDAKFAMG-GFCCVEGCSA-N	-1	1	342.440	0.516	10	0		ECAEMM
C[N@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc(OC(F)F)cn2)CCO1	ZINC000262116240	165294827	/nfs/dbraw/zinc/29/48/27/165294827.db2.gz	LHNJJLDUIVZBND-LLVKDONJSA-N	-1	1	331.319	0.905	10	0		ECAEMM
C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@H]1N1CCOCC1	ZINC000177232345	278419628	/nfs/dbraw/zinc/41/96/28/278419628.db2.gz	ZMVUQYDLNJEWCJ-SWLSCSKDSA-N	-1	1	342.399	0.716	10	0		ECAEMM
CC(=O)N[C@H]1CCCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1	ZINC000104853980	436565003	/nfs/dbraw/zinc/56/50/03/436565003.db2.gz	QANJLPUXGSCARO-ZDUSSCGKSA-N	-1	1	345.403	0.309	10	0		ECAEMM
COCC(=O)NC1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1	ZINC000186316323	437469194	/nfs/dbraw/zinc/46/91/94/437469194.db2.gz	AMJIYORHCPLWRO-UHFFFAOYSA-N	-1	1	332.278	0.998	10	0		ECAEMM
O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1sccc1Br	ZINC000625599017	547165631	/nfs/dbraw/zinc/16/56/31/547165631.db2.gz	VUGRGSBBOUSWSS-JGVFFNPUSA-N	-1	1	342.236	0.939	10	0		ECAEMM
O=C([O-])[C@@]1(N2CCN(C(=O)CCc3ccccn3)CC2)CCOC1	ZINC000886077569	590790641	/nfs/dbraw/zinc/79/06/41/590790641.db2.gz	KPMFXCGIBFTLEA-QGZVFWFLSA-N	-1	1	333.388	0.402	10	0		ECAEMM
CC(C)c1cc(C(=O)N2CCN(c3ncccn3)C[C@@H]2C(=O)[O-])n[nH]1	ZINC000071768088	610707957	/nfs/dbraw/zinc/70/79/57/610707957.db2.gz	RMDTZVNZYJOMHV-CYBMUJFWSA-N	-1	1	344.375	0.739	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)co1	ZINC000131176682	530024982	/nfs/dbraw/zinc/02/49/82/530024982.db2.gz	WTZFPCQSNZPNIS-LLVKDONJSA-N	-1	1	339.377	0.257	10	0		ECAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H](C)N1CCOCC1	ZINC000104033275	219341211	/nfs/dbraw/zinc/34/12/11/219341211.db2.gz	ZTORDZODJRCREB-LLVKDONJSA-N	-1	1	347.419	0.019	10	0		ECAEMM
Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000177207948	301148497	/nfs/dbraw/zinc/14/84/97/301148497.db2.gz	SXPQRHFLANHYJY-JQWIXIFHSA-N	-1	1	345.403	0.791	10	0		ECAEMM
Cc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000177207948	301148500	/nfs/dbraw/zinc/14/85/00/301148500.db2.gz	SXPQRHFLANHYJY-JQWIXIFHSA-N	-1	1	345.403	0.791	10	0		ECAEMM
Nc1ccc(S(=O)(=O)N(CCc2nn[n-]n2)c2ncccn2)cc1	ZINC000033864830	436252761	/nfs/dbraw/zinc/25/27/61/436252761.db2.gz	OPFSHKXOTVDONY-UHFFFAOYSA-N	-1	1	346.376	0.010	10	0		ECAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CCCC[C@H]1O	ZINC000155626396	436799206	/nfs/dbraw/zinc/79/92/06/436799206.db2.gz	KUSLSHSNCQFTNS-TZMCWYRMSA-N	-1	1	332.404	0.849	10	0		ECAEMM
O=C(C=Cc1ccc2c(c1)CCO2)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000886033207	590788154	/nfs/dbraw/zinc/78/81/54/590788154.db2.gz	PSIBDNSXCVPAMM-CTGSTSKSSA-N	-1	1	327.344	0.748	10	0		ECAEMM
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000245869892	165118342	/nfs/dbraw/zinc/11/83/42/165118342.db2.gz	GAKARXIHHFKSHC-OLZOCXBDSA-N	-1	1	341.433	0.887	10	0		ECAEMM
O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1S(=O)(=O)c1nc2cnc[n-]c-2n1	ZINC000333379288	297130017	/nfs/dbraw/zinc/13/00/17/297130017.db2.gz	AOTVNCWZTUIUCA-KKZNHRDASA-N	-1	1	335.389	0.574	10	0		ECAEMM
O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1S(=O)(=O)c1nc2cncnc2[n-]1	ZINC000333379288	297130019	/nfs/dbraw/zinc/13/00/19/297130019.db2.gz	AOTVNCWZTUIUCA-KKZNHRDASA-N	-1	1	335.389	0.574	10	0		ECAEMM
O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1S(=O)(=O)c1nc2c[n-]cnc-2n1	ZINC000333379288	297130021	/nfs/dbraw/zinc/13/00/21/297130021.db2.gz	AOTVNCWZTUIUCA-KKZNHRDASA-N	-1	1	335.389	0.574	10	0		ECAEMM
Cc1cc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000262055073	165282326	/nfs/dbraw/zinc/28/23/26/165282326.db2.gz	RGBKIIXLAOXUDB-SNVBAGLBSA-N	-1	1	331.376	0.944	10	0		ECAEMM
CCC[C@@H](N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000262298999	165326199	/nfs/dbraw/zinc/32/61/99/165326199.db2.gz	PSAXQLKUDWLNDI-JOYOIKCWSA-N	-1	1	343.405	0.504	10	0		ECAEMM
C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CN(C)c1ncnc2[nH]cnc21	ZINC000263190565	165422965	/nfs/dbraw/zinc/42/29/65/165422965.db2.gz	LDFBEDASQXIDKC-VHSXEESVSA-N	-1	1	332.364	0.501	10	0		ECAEMM
CC[C@H](NC(=O)c1cc(I)ccc1[O-])C(N)=O	ZINC000292318761	264788635	/nfs/dbraw/zinc/78/86/35/264788635.db2.gz	AUNVGJKBKGHVKK-QMMMGPOBSA-N	-1	1	348.140	0.991	10	0		ECAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)o1	ZINC000116229508	436649454	/nfs/dbraw/zinc/64/94/54/436649454.db2.gz	BILTYNUCFNTXSH-JTQLQIEISA-N	-1	1	338.389	0.551	10	0		ECAEMM
NS(=O)(=O)c1ccnc(-c2ccc(CO)cc2)c1-c1nnn[n-]1	ZINC000584636819	439605165	/nfs/dbraw/zinc/60/51/65/439605165.db2.gz	DYFBHJVSLCFRQD-UHFFFAOYSA-N	-1	1	332.345	0.068	10	0		ECAEMM
NS(=O)(=O)c1ccnc(-c2ccc(CO)cc2)c1-c1nn[n-]n1	ZINC000584636819	439605168	/nfs/dbraw/zinc/60/51/68/439605168.db2.gz	DYFBHJVSLCFRQD-UHFFFAOYSA-N	-1	1	332.345	0.068	10	0		ECAEMM
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@@H]([NH+]3CCCC3)C2=O)c1	ZINC000100857825	219109255	/nfs/dbraw/zinc/10/92/55/219109255.db2.gz	INDINFMUECGJBV-GFCCVEGCSA-N	-1	1	332.312	0.811	10	0		ECAEMM
CN(C)c1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])cn1	ZINC000095355987	218289752	/nfs/dbraw/zinc/28/97/52/218289752.db2.gz	UMCUUSPUESEKOO-ZDUSSCGKSA-N	-1	1	332.404	0.703	10	0		ECAEMM
CCCCN(C(=O)CN[C@@H](CCC)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000262276895	165320577	/nfs/dbraw/zinc/32/05/77/165320577.db2.gz	JWHPPLPZBIDKOV-OLZOCXBDSA-N	-1	1	348.465	0.645	10	0		ECAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)OC)o1	ZINC000050608351	277037046	/nfs/dbraw/zinc/03/70/46/277037046.db2.gz	YUJQHCFZIPOUIK-VIFPVBQESA-N	-1	1	330.362	0.355	10	0		ECAEMM
Cc1ncc(C[N@@H+]2CC[C@@]3(C2)NC(=O)NC3=O)n1-c1ccccc1	ZINC000376819493	301294813	/nfs/dbraw/zinc/29/48/13/301294813.db2.gz	SUTWGJPHNVZUAY-KRWDZBQOSA-N	-1	1	325.372	0.965	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCn3nc(C)nc32)co1	ZINC000155489581	436796633	/nfs/dbraw/zinc/79/66/33/436796633.db2.gz	PQTAQCOVTCSZGW-JTQLQIEISA-N	-1	1	339.377	0.353	10	0		ECAEMM
O=C(NC[C@H](O)CN1CCOCC1)c1ccc(C(F)(F)F)cc1[O-]	ZINC000180382004	437289317	/nfs/dbraw/zinc/28/93/17/437289317.db2.gz	IBFPXBLJPBTBDA-NSHDSACASA-N	-1	1	348.321	0.834	10	0		ECAEMM
O=C([O-])C[N@H+]1CCC[C@]2(C(=O)[O-])CN(Cc3cscn3)CC[C@@H]12	ZINC000072423073	216212046	/nfs/dbraw/zinc/21/20/46/216212046.db2.gz	WYCVKXCIXJEVFL-DOMZBBRYSA-N	-1	1	339.417	0.969	10	0		ECAEMM
CNC(=O)[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C(C)C	ZINC000179125724	437253923	/nfs/dbraw/zinc/25/39/23/437253923.db2.gz	VZQLHNNIERTYKE-MRXNPFEDSA-N	-1	1	347.419	0.871	10	0		ECAEMM
CNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cn1	ZINC000184965566	437420769	/nfs/dbraw/zinc/42/07/69/437420769.db2.gz	BQMKSNGICNTCJW-CYBMUJFWSA-N	-1	1	338.433	0.300	10	0		ECAEMM
CN1CCS(=O)(=O)C[C@H]1CC(=O)Nc1cc([O-])c(F)cc1F	ZINC000909987620	609703895	/nfs/dbraw/zinc/70/38/95/609703895.db2.gz	ACEWLKXIESDBGQ-MRVPVSSYSA-N	-1	1	334.344	0.728	10	0		ECAEMM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)cc(C(N)=O)c2)cc1	ZINC000226863136	242117624	/nfs/dbraw/zinc/11/76/24/242117624.db2.gz	WDWZZFANRMCVEO-UHFFFAOYSA-N	-1	1	333.369	0.994	10	0		ECAEMM
O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1F	ZINC000172103470	436999094	/nfs/dbraw/zinc/99/90/94/436999094.db2.gz	HHLKIQGUMCCUHG-SSDOTTSWSA-N	-1	1	332.307	0.989	10	0		ECAEMM
C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@H]1N1CCOCC1	ZINC000177232334	437175061	/nfs/dbraw/zinc/17/50/61/437175061.db2.gz	ZMVUQYDLNJEWCJ-IUODEOHRSA-N	-1	1	342.399	0.716	10	0		ECAEMM
O=C(NC1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1)C1CCC1	ZINC000186478291	437472849	/nfs/dbraw/zinc/47/28/49/437472849.db2.gz	NCDUNFLNJZEDGR-UHFFFAOYSA-N	-1	1	326.356	0.664	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)co1	ZINC000130484663	530025135	/nfs/dbraw/zinc/02/51/35/530025135.db2.gz	CBKJKLZZWRAQGE-LBPRGKRZSA-N	-1	1	338.389	0.899	10	0		ECAEMM
COC(=O)[C@@H]1CCCCN1C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000171910938	291316987	/nfs/dbraw/zinc/31/69/87/291316987.db2.gz	RFQDHVGXDQVEMO-ZDUSSCGKSA-N	-1	1	346.387	0.736	10	0		ECAEMM
NC(=O)[C@]1(O)CCCN(C(=O)c2cc(Br)ccc2[O-])C1	ZINC000285657093	264329971	/nfs/dbraw/zinc/32/99/71/264329971.db2.gz	UTVGIILEVUWPKM-ZDUSSCGKSA-N	-1	1	343.177	0.607	10	0		ECAEMM
CCc1nc2n(n1)C[C@H](NC(=O)c1nc3ccccc3c(=O)[n-]1)CC2	ZINC000114875409	436644440	/nfs/dbraw/zinc/64/44/40/436644440.db2.gz	DMBCWKWBQCNRQR-SNVBAGLBSA-N	-1	1	338.371	0.822	10	0		ECAEMM
O=C([O-])[C@]1(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)CCOC1	ZINC000886097203	590795846	/nfs/dbraw/zinc/79/58/46/590795846.db2.gz	TUELUYBBLIRDMP-KRWDZBQOSA-N	-1	1	336.363	0.756	10	0		ECAEMM
Cc1[nH]nc(CN2CCN(C(=O)CCC(=O)[O-])C[C@@H](O)C2)c1Cl	ZINC000097717084	219050453	/nfs/dbraw/zinc/05/04/53/219050453.db2.gz	QDSJPBKUUCIUKH-JTQLQIEISA-N	-1	1	344.799	0.241	10	0		ECAEMM
Cc1cc(C)nc(-n2[n-]c3cc(=O)n(-c4nnc[nH]4)c(C)c3c2=O)n1	ZINC000072446114	216236708	/nfs/dbraw/zinc/23/67/08/216236708.db2.gz	XGDAOYSHVXKMKZ-UHFFFAOYSA-N	-1	1	338.331	0.303	10	0		ECAEMM
O=C(NC[C@H](O)CN1CCOCC1)c1ccc2ccccc2c1[O-]	ZINC000129509091	296662403	/nfs/dbraw/zinc/66/24/03/296662403.db2.gz	LLKZORYNWYJJTA-AWEZNQCLSA-N	-1	1	330.384	0.968	10	0		ECAEMM
CCC[C@H](NCC(=O)NCCCN1CCCCCC1=O)C(=O)[O-]	ZINC000262283941	165322151	/nfs/dbraw/zinc/32/21/51/165322151.db2.gz	LPVJJKFQQOMUHP-ZDUSSCGKSA-N	-1	1	327.425	0.738	10	0		ECAEMM
CCC[C@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC000262300957	165325946	/nfs/dbraw/zinc/32/59/46/165325946.db2.gz	QEMXLIYHLSSKOM-LBPRGKRZSA-N	-1	1	328.390	0.872	10	0		ECAEMM
C[N@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1	ZINC000262870294	165396473	/nfs/dbraw/zinc/39/64/73/165396473.db2.gz	CSMUGJGILROORD-CYBMUJFWSA-N	-1	1	336.344	0.242	10	0		ECAEMM
CC(=O)NCCN(C(=O)[C@@H](C)N(C)Cc1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000262235583	277032276	/nfs/dbraw/zinc/03/22/76/277032276.db2.gz	NVDILSVYQDQGNI-KGLIPLIRSA-N	-1	1	349.431	0.945	10	0		ECAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H]1CN(C)CCO1	ZINC000171287117	436976848	/nfs/dbraw/zinc/97/68/48/436976848.db2.gz	CENDKZCEEHGKEI-ZDUSSCGKSA-N	-1	1	347.419	0.431	10	0		ECAEMM
O=S(=O)([N-][C@@H]1CCOC[C@@H]1O)c1sccc1Br	ZINC000625599019	547164810	/nfs/dbraw/zinc/16/48/10/547164810.db2.gz	VUGRGSBBOUSWSS-SFYZADRCSA-N	-1	1	342.236	0.939	10	0		ECAEMM
CCC(CC)(CNC(=O)NCCCN1CCC[C@H]1C(N)=O)C(=O)[O-]	ZINC000263066217	282099750	/nfs/dbraw/zinc/09/97/50/282099750.db2.gz	OEFBSEJDAKFAMG-LBPRGKRZSA-N	-1	1	342.440	0.516	10	0		ECAEMM
O=C([O-])[C@H]1CN(C(=O)c2cnc3cc(Cl)ccc3c2[O-])CC[NH2+]1	ZINC000071747407	203107135	/nfs/dbraw/zinc/10/71/35/203107135.db2.gz	OJIZKIFYFSODSE-GFCCVEGCSA-N	-1	1	335.747	0.680	10	0		ECAEMM
CCc1n[nH]c(-n2c(=O)cc3[n-]n(-c4ncccn4)c(=O)c3c2C)n1	ZINC000072446275	203226012	/nfs/dbraw/zinc/22/60/12/203226012.db2.gz	WHYBQOKHNWLJPB-UHFFFAOYSA-N	-1	1	338.331	0.249	10	0		ECAEMM
CCc1nc(-n2c(=O)cc3[n-]n(-c4ncccn4)c(=O)c3c2C)n[nH]1	ZINC000072446275	203226016	/nfs/dbraw/zinc/22/60/16/203226016.db2.gz	WHYBQOKHNWLJPB-UHFFFAOYSA-N	-1	1	338.331	0.249	10	0		ECAEMM
Nc1nc(-n2cccn2)cc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)n1	ZINC000263552152	295366245	/nfs/dbraw/zinc/36/62/45/295366245.db2.gz	LQINFXWYJLUKMI-HTQZYQBOSA-N	-1	1	342.281	0.944	10	0		ECAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)o1	ZINC000151351918	436701912	/nfs/dbraw/zinc/70/19/12/436701912.db2.gz	ULLXKUQBYQVEOQ-XHDPSFHLSA-N	-1	1	342.417	0.955	10	0		ECAEMM
O=C([O-])[C@@]1(N2CCN(c3nccc(C(F)(F)F)n3)CC2)CCOC1	ZINC000886095458	590794369	/nfs/dbraw/zinc/79/43/69/590794369.db2.gz	XBZFKAGMOMWLNJ-CYBMUJFWSA-N	-1	1	346.309	0.861	10	0		ECAEMM
CC(=O)NCCN(C(=O)[C@@H](C)N(C)Cc1ccccc1)[C@H](C)C(=O)[O-]	ZINC000262235589	278105461	/nfs/dbraw/zinc/10/54/61/278105461.db2.gz	NVDILSVYQDQGNI-ZIAGYGMSSA-N	-1	1	349.431	0.945	10	0		ECAEMM
O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1cc(F)c(F)cc1F	ZINC000113298732	436637086	/nfs/dbraw/zinc/63/70/86/436637086.db2.gz	XGDHROUJHLUXTF-SSDOTTSWSA-N	-1	1	332.307	0.989	10	0		ECAEMM
Cn1[n-]c(CN2CCc3ccc(S(C)(=O)=O)cc3CC2)nc1=O	ZINC000328696111	320727732	/nfs/dbraw/zinc/72/77/32/320727732.db2.gz	KTKYPAVJSUEXNO-UHFFFAOYSA-N	-1	1	336.417	0.113	10	0		ECAEMM
O=C([O-])[C@]1(N2CCN(Cc3nnc4n3CCCCC4)CC2)CCOC1	ZINC000886072027	590789988	/nfs/dbraw/zinc/78/99/88/590789988.db2.gz	ZKLMJTJKQDIIKI-KRWDZBQOSA-N	-1	1	349.435	0.366	10	0		ECAEMM
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@H]([NH+]3CCCC3)C2=O)c1	ZINC000019766950	202019825	/nfs/dbraw/zinc/01/98/25/202019825.db2.gz	INDINFMUECGJBV-LBPRGKRZSA-N	-1	1	332.312	0.811	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](n3cncn3)C2)co1	ZINC000131176448	205275918	/nfs/dbraw/zinc/27/59/18/205275918.db2.gz	WTZFPCQSNZPNIS-NSHDSACASA-N	-1	1	339.377	0.257	10	0		ECAEMM
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1	ZINC000246983303	165149699	/nfs/dbraw/zinc/14/96/99/165149699.db2.gz	OQCLMXILHMKALV-RYUDHWBXSA-N	-1	1	341.433	0.887	10	0		ECAEMM
CCC[C@@H](NC(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O)C(=O)[O-]	ZINC000262413650	436932871	/nfs/dbraw/zinc/93/28/71/436932871.db2.gz	YNFLLKDJQBVKBP-LLVKDONJSA-N	-1	1	345.359	0.860	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCn3nc(C)nc32)co1	ZINC000155489690	206011035	/nfs/dbraw/zinc/01/10/35/206011035.db2.gz	PQTAQCOVTCSZGW-SNVBAGLBSA-N	-1	1	339.377	0.353	10	0		ECAEMM
O=C(c1cc(F)ccc1[O-])N1CCN(c2ccc3nncn3n2)CC1	ZINC000175244659	207109127	/nfs/dbraw/zinc/10/91/27/207109127.db2.gz	PHACUUCHUKALPG-UHFFFAOYSA-N	-1	1	342.334	0.931	10	0		ECAEMM
CCC[C@@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC000262300955	165325762	/nfs/dbraw/zinc/32/57/62/165325762.db2.gz	QEMXLIYHLSSKOM-GFCCVEGCSA-N	-1	1	328.390	0.872	10	0		ECAEMM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)CC2	ZINC000114875020	201071946	/nfs/dbraw/zinc/07/19/46/201071946.db2.gz	SVVQMTXVICTGHT-MRVPVSSYSA-N	-1	1	344.828	0.521	10	0		ECAEMM
CNS(=O)(=O)c1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c(C)o1	ZINC000176013842	207182106	/nfs/dbraw/zinc/18/21/06/207182106.db2.gz	VTYOOAFKPPOIAJ-NSHDSACASA-N	-1	1	327.406	0.416	10	0		ECAEMM
CC(=O)NCCN(C(=O)[C@H](C)N(C)Cc1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000262235581	278106619	/nfs/dbraw/zinc/10/66/19/278106619.db2.gz	NVDILSVYQDQGNI-KBPBESRZSA-N	-1	1	349.431	0.945	10	0		ECAEMM
CC(C)C[C@H](NCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000034646544	436255871	/nfs/dbraw/zinc/25/58/71/436255871.db2.gz	XWFKAYOFZLZYMZ-KBPBESRZSA-N	-1	1	335.404	0.288	10	0		ECAEMM
Cc1[n-][nH]c(=O)c1CC(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1	ZINC000223864164	436708235	/nfs/dbraw/zinc/70/82/35/436708235.db2.gz	HPQHRAXVGYOTAL-MGCOHNPYSA-N	-1	1	346.391	0.035	10	0		ECAEMM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCn2ncnc21	ZINC000176749166	437156210	/nfs/dbraw/zinc/15/62/10/437156210.db2.gz	GUUZAQVRTJZGFQ-MRVPVSSYSA-N	-1	1	330.801	0.787	10	0		ECAEMM
NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(Br)cc2[O-])C1	ZINC000285681160	201333422	/nfs/dbraw/zinc/33/34/22/201333422.db2.gz	VZVAWMPZMNHXHY-CYBMUJFWSA-N	-1	1	343.177	0.607	10	0		ECAEMM
CC[C@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(N)=O	ZINC000291825519	201340343	/nfs/dbraw/zinc/34/03/43/201340343.db2.gz	AQUNIZHEIPYMGT-LURJTMIESA-N	-1	1	339.215	0.033	10	0		ECAEMM
COCCN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@H]1C	ZINC000117398278	221059744	/nfs/dbraw/zinc/05/97/44/221059744.db2.gz	LIZHGMTVCBYJFR-GFCCVEGCSA-N	-1	1	330.388	0.716	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)co1	ZINC000120422446	436686335	/nfs/dbraw/zinc/68/63/35/436686335.db2.gz	CHJCKIGJIGQHPI-NEPJUHHUSA-N	-1	1	328.390	0.971	10	0		ECAEMM
Cc1nc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C)c(Br)n1C	ZINC000287883795	437248733	/nfs/dbraw/zinc/24/87/33/437248733.db2.gz	QWENKKOKAYLLGM-SVRRBLITSA-N	-1	1	338.227	0.947	10	0		ECAEMM
COc1cc(-c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)ccn1	ZINC000584596423	439603383	/nfs/dbraw/zinc/60/33/83/439603383.db2.gz	CLUQZXJQXHSHBD-UHFFFAOYSA-N	-1	1	332.345	0.585	10	0		ECAEMM
NC(=O)c1cccc(-c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)c1	ZINC000584611667	439605317	/nfs/dbraw/zinc/60/53/17/439605317.db2.gz	KXEQVZZHYOGVGA-UHFFFAOYSA-N	-1	1	344.356	0.280	10	0		ECAEMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(Br)c[nH]1	ZINC000020214187	202035471	/nfs/dbraw/zinc/03/54/71/202035471.db2.gz	BAGBFYKHZUSGFU-VIFPVBQESA-N	-1	1	327.138	0.926	10	0		ECAEMM
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)(C)C)C(=O)[O-]	ZINC000068711354	201163418	/nfs/dbraw/zinc/16/34/18/201163418.db2.gz	SQVUEHPVMOLXQG-ZDEQEGDKSA-N	-1	1	341.452	0.966	10	0		ECAEMM
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000245869899	165119415	/nfs/dbraw/zinc/11/94/15/165119415.db2.gz	GAKARXIHHFKSHC-STQMWFEESA-N	-1	1	341.433	0.887	10	0		ECAEMM
Cc1cc(N2CCC[C@H](NC(=O)c3ncccc3[O-])C2=O)n(C)n1	ZINC000189979014	437614250	/nfs/dbraw/zinc/61/42/50/437614250.db2.gz	HUVJRKLRFULTSH-NSHDSACASA-N	-1	1	329.360	0.755	10	0		ECAEMM
Nc1n[n-]c(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)n1	ZINC000008015784	436021143	/nfs/dbraw/zinc/02/11/43/436021143.db2.gz	HXQBGRROJVTPID-UHFFFAOYSA-N	-1	1	349.372	0.237	10	0		ECAEMM
Nc1nc(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)n[n-]1	ZINC000008015784	436021146	/nfs/dbraw/zinc/02/11/46/436021146.db2.gz	HXQBGRROJVTPID-UHFFFAOYSA-N	-1	1	349.372	0.237	10	0		ECAEMM
Cc1cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000262055071	301116496	/nfs/dbraw/zinc/11/64/96/301116496.db2.gz	RGBKIIXLAOXUDB-JTQLQIEISA-N	-1	1	331.376	0.944	10	0		ECAEMM
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC000263483263	436967828	/nfs/dbraw/zinc/96/78/28/436967828.db2.gz	OOZVOQHBMDYBRT-UNXYVOJBSA-N	-1	1	327.381	0.430	10	0		ECAEMM
CCC[C@H](N[C@@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000262294177	165323751	/nfs/dbraw/zinc/32/37/51/165323751.db2.gz	OJEZWNAMHGXZJA-AVGNSLFASA-N	-1	1	348.465	0.644	10	0		ECAEMM
NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(Br)cc2[O-])C1	ZINC000285681163	264332355	/nfs/dbraw/zinc/33/23/55/264332355.db2.gz	VZVAWMPZMNHXHY-ZDUSSCGKSA-N	-1	1	343.177	0.607	10	0		ECAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)o1	ZINC000151351810	436702320	/nfs/dbraw/zinc/70/23/20/436702320.db2.gz	ULLXKUQBYQVEOQ-IAQYHMDHSA-N	-1	1	342.417	0.955	10	0		ECAEMM
COC(=O)C(=O)[C@H]1C(=O)C(O)=C(CCCCCCC(=O)[O-])C1=O	ZINC000169155425	436942421	/nfs/dbraw/zinc/94/24/21/436942421.db2.gz	LFMPQNTXQKMBIJ-PSASIEDQSA-N	-1	1	326.301	0.107	10	0		ECAEMM
NS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1-c1nnn[n-]1	ZINC000584629571	439605424	/nfs/dbraw/zinc/60/54/24/439605424.db2.gz	ZLLPEJMJTQBWDI-UHFFFAOYSA-N	-1	1	332.345	0.068	10	0		ECAEMM
NS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1-c1nn[n-]n1	ZINC000584629571	439605427	/nfs/dbraw/zinc/60/54/27/439605427.db2.gz	ZLLPEJMJTQBWDI-UHFFFAOYSA-N	-1	1	332.345	0.068	10	0		ECAEMM
C[C@@H]1CN(Cn2[n-]c(-c3ccccn3)nc2=S)C[C@@H](C(N)=O)O1	ZINC000120166492	590092940	/nfs/dbraw/zinc/09/29/40/590092940.db2.gz	LZNYKNVRPAECMB-KOLCDFICSA-N	-1	1	334.405	0.535	10	0		ECAEMM
Cn1ncc(Cl)c1CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC000886071766	590789846	/nfs/dbraw/zinc/78/98/46/590789846.db2.gz	GXUVHPYBQMGCGO-CQSZACIVSA-N	-1	1	328.800	0.435	10	0		ECAEMM
CN(C)c1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cn1	ZINC000095355988	218289904	/nfs/dbraw/zinc/28/99/04/218289904.db2.gz	UMCUUSPUESEKOO-CYBMUJFWSA-N	-1	1	332.404	0.703	10	0		ECAEMM
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)[O-]	ZINC000004899787	210316056	/nfs/dbraw/zinc/31/60/56/210316056.db2.gz	JLLJTMHNXQTMCK-UBHSHLNASA-N	-1	1	333.388	0.137	10	0		ECAEMM
COCCN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@@H]1C	ZINC000117398279	221059535	/nfs/dbraw/zinc/05/95/35/221059535.db2.gz	LIZHGMTVCBYJFR-LBPRGKRZSA-N	-1	1	330.388	0.716	10	0		ECAEMM
NC(=O)[C@@H]1COCCN1C(=O)c1cc(Br)ccc1[O-]	ZINC000180274520	295119923	/nfs/dbraw/zinc/11/99/23/295119923.db2.gz	ILYFDWMBHLKRJC-VIFPVBQESA-N	-1	1	329.150	0.481	10	0		ECAEMM
Cn1cnc(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCC3)c1Cl	ZINC000195291732	612374072	/nfs/dbraw/zinc/37/40/72/612374072.db2.gz	GPHUMCFYGZSUJE-UHFFFAOYSA-N	-1	1	343.796	0.794	10	0		ECAEMM
O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC000261693968	165226725	/nfs/dbraw/zinc/22/67/25/165226725.db2.gz	SBICNHQKPGECJM-UHFFFAOYSA-N	-1	1	348.359	0.232	10	0		ECAEMM
CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(O)cc3)[C@H]2C1	ZINC000333399489	297130919	/nfs/dbraw/zinc/13/09/19/297130919.db2.gz	FLLFFPOZYFHYRG-LSDHHAIUSA-N	-1	1	326.418	0.876	10	0		ECAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H]1CN(C)CCO1	ZINC000171287113	436976406	/nfs/dbraw/zinc/97/64/06/436976406.db2.gz	CENDKZCEEHGKEI-CYBMUJFWSA-N	-1	1	347.419	0.431	10	0		ECAEMM
CC(C)CN1CCO[C@@H](CNC(=O)CN([C@@H](C)C(=O)[O-])C2CC2)C1	ZINC000263186670	436954322	/nfs/dbraw/zinc/95/43/22/436954322.db2.gz	UYKLWEZIBIMYFP-ZFWWWQNUSA-N	-1	1	341.452	0.397	10	0		ECAEMM
O=C([O-])[C@]1(N2CCN(C(=O)Cc3cccc(F)c3)CC2)CCOC1	ZINC000886096927	590795799	/nfs/dbraw/zinc/79/57/99/590795799.db2.gz	OXIGADMGAFFKIY-KRWDZBQOSA-N	-1	1	336.363	0.756	10	0		ECAEMM
Cc1c(S(=O)(=O)[N-][C@H](C)c2ccccc2)c(=O)n(C)c(=O)n1C	ZINC000004337747	210174546	/nfs/dbraw/zinc/17/45/46/210174546.db2.gz	GFUXTRKKEFRUFL-SNVBAGLBSA-N	-1	1	337.401	0.432	10	0		ECAEMM
C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000028771872	436191181	/nfs/dbraw/zinc/19/11/81/436191181.db2.gz	QMMRHASQEVCJGR-UBHSHLNASA-N	-1	1	333.388	0.137	10	0	in-vitro	ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)co1	ZINC000152179733	436723595	/nfs/dbraw/zinc/72/35/95/436723595.db2.gz	IQWBQADTRUJESL-JTQLQIEISA-N	-1	1	338.389	0.551	10	0		ECAEMM
CCC[C@@H](N[C@H](C)C(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-]	ZINC000262264201	436918792	/nfs/dbraw/zinc/91/87/92/436918792.db2.gz	HAQYSPUIIGWLNH-CHWSQXEVSA-N	-1	1	335.408	0.357	10	0		ECAEMM
C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)Nc1ccccc1)c1nn[n-]n1	ZINC000124296187	436747382	/nfs/dbraw/zinc/74/73/82/436747382.db2.gz	NKGRDNHJJLTZEH-GHMZBOCLSA-N	-1	1	331.380	0.972	10	0		ECAEMM
COc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)c1	ZINC000004270176	210156474	/nfs/dbraw/zinc/15/64/74/210156474.db2.gz	OUVSHRUQLUBWDZ-UHFFFAOYSA-N	-1	1	339.373	0.202	10	0		ECAEMM
CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000174645980	263150971	/nfs/dbraw/zinc/15/09/71/263150971.db2.gz	JJFFQRFVOHKEFB-JTQLQIEISA-N	-1	1	331.376	0.546	10	0		ECAEMM
CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000174645980	263150972	/nfs/dbraw/zinc/15/09/72/263150972.db2.gz	JJFFQRFVOHKEFB-JTQLQIEISA-N	-1	1	331.376	0.546	10	0		ECAEMM
O=C([O-])[C@@H]1Cc2nc[nH]c2CN1C(=O)Cn1[nH]c2ccccc2c1=O	ZINC000095498389	436496178	/nfs/dbraw/zinc/49/61/78/436496178.db2.gz	YCRCEEFYZPQEGR-ZDUSSCGKSA-N	-1	1	341.327	0.091	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)co1	ZINC000120422299	436686137	/nfs/dbraw/zinc/68/61/37/436686137.db2.gz	CHJCKIGJIGQHPI-NWDGAFQWSA-N	-1	1	328.390	0.971	10	0		ECAEMM
CN1CCN([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000536960503	439540743	/nfs/dbraw/zinc/54/07/43/439540743.db2.gz	VVWDHXQYWKHHHR-CHWSQXEVSA-N	-1	1	327.425	0.944	10	0		ECAEMM
Cn1ncc(Cl)c1CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC000886071765	590790102	/nfs/dbraw/zinc/79/01/02/590790102.db2.gz	GXUVHPYBQMGCGO-AWEZNQCLSA-N	-1	1	328.800	0.435	10	0		ECAEMM
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000177015169	437165280	/nfs/dbraw/zinc/16/52/80/437165280.db2.gz	BQVQFXLAZHPIJF-LLVKDONJSA-N	-1	1	345.403	0.888	10	0		ECAEMM
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000177015169	437165288	/nfs/dbraw/zinc/16/52/88/437165288.db2.gz	BQVQFXLAZHPIJF-LLVKDONJSA-N	-1	1	345.403	0.888	10	0		ECAEMM
Cn1cc(S(=O)(=O)[N-]C(=O)c2cn[nH]c2-c2ccsc2)cn1	ZINC000187237409	609124137	/nfs/dbraw/zinc/12/41/37/609124137.db2.gz	YVFJGKISLZUAJX-UHFFFAOYSA-N	-1	1	337.386	0.990	10	0		ECAEMM
Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000262509598	165357460	/nfs/dbraw/zinc/35/74/60/165357460.db2.gz	KILFGKABXUBTEM-ULKQDVFKSA-N	-1	1	329.360	0.757	10	0		ECAEMM
Cc1cc(N2CCC[C@@H](NC(=O)c3ncccc3[O-])C2=O)n(C)n1	ZINC000189979032	437613426	/nfs/dbraw/zinc/61/34/26/437613426.db2.gz	HUVJRKLRFULTSH-LLVKDONJSA-N	-1	1	329.360	0.755	10	0		ECAEMM
Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000177207929	301141390	/nfs/dbraw/zinc/14/13/90/301141390.db2.gz	SXPQRHFLANHYJY-CMPLNLGQSA-N	-1	1	345.403	0.791	10	0		ECAEMM
Cc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000177207929	301141395	/nfs/dbraw/zinc/14/13/95/301141395.db2.gz	SXPQRHFLANHYJY-CMPLNLGQSA-N	-1	1	345.403	0.791	10	0		ECAEMM
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C1	ZINC000263312249	436962740	/nfs/dbraw/zinc/96/27/40/436962740.db2.gz	IDNJCQVNTDBWTA-ZSVAQUKISA-N	-1	1	341.408	0.676	10	0		ECAEMM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCCn2ncnc21	ZINC000176749178	437155323	/nfs/dbraw/zinc/15/53/23/437155323.db2.gz	GUUZAQVRTJZGFQ-QMMMGPOBSA-N	-1	1	330.801	0.787	10	0		ECAEMM
NS(=O)(=O)c1cncc(-c2ccc(CO)cc2)c1-c1nnn[n-]1	ZINC000584633707	439604753	/nfs/dbraw/zinc/60/47/53/439604753.db2.gz	IPEWPEWBTFTKFI-UHFFFAOYSA-N	-1	1	332.345	0.068	10	0		ECAEMM
NS(=O)(=O)c1cncc(-c2ccc(CO)cc2)c1-c1nn[n-]n1	ZINC000584633707	439604756	/nfs/dbraw/zinc/60/47/56/439604756.db2.gz	IPEWPEWBTFTKFI-UHFFFAOYSA-N	-1	1	332.345	0.068	10	0		ECAEMM
NS(=O)(=O)c1cccc(-c2cccc(CO)c2)c1-c1nn[n-]n1	ZINC000584611745	439605471	/nfs/dbraw/zinc/60/54/71/439605471.db2.gz	SITFMMVYUQHJIT-UHFFFAOYSA-N	-1	1	331.357	0.673	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)co1	ZINC000120422599	436686486	/nfs/dbraw/zinc/68/64/86/436686486.db2.gz	CHJCKIGJIGQHPI-VXGBXAGGSA-N	-1	1	328.390	0.971	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)co1	ZINC000152179812	436723089	/nfs/dbraw/zinc/72/30/89/436723089.db2.gz	IQWBQADTRUJESL-SNVBAGLBSA-N	-1	1	338.389	0.551	10	0		ECAEMM
CN(C)c1ccncc1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC000886077533	590790788	/nfs/dbraw/zinc/79/07/88/590790788.db2.gz	GIGHXWHYSWIVBR-QGZVFWFLSA-N	-1	1	348.403	0.149	10	0		ECAEMM
CN1CCS(=O)(=O)C[C@@H]1CC(=O)Nc1cc([O-])c(F)cc1F	ZINC000909987621	609703905	/nfs/dbraw/zinc/70/39/05/609703905.db2.gz	ACEWLKXIESDBGQ-QMMMGPOBSA-N	-1	1	334.344	0.728	10	0		ECAEMM
CC(C)c1cc(C(=O)N2CCN(c3ncccn3)C[C@H]2C(=O)[O-])n[nH]1	ZINC000071768089	610707928	/nfs/dbraw/zinc/70/79/28/610707928.db2.gz	RMDTZVNZYJOMHV-ZDUSSCGKSA-N	-1	1	344.375	0.739	10	0		ECAEMM
Cc1c(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c(=O)n(C)c(=O)n1C	ZINC000004337744	210174308	/nfs/dbraw/zinc/17/43/08/210174308.db2.gz	GFUXTRKKEFRUFL-JTQLQIEISA-N	-1	1	337.401	0.432	10	0		ECAEMM
C[N@H+](CC(=O)[O-])C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1	ZINC000262870295	165396847	/nfs/dbraw/zinc/39/68/47/165396847.db2.gz	CSMUGJGILROORD-ZDUSSCGKSA-N	-1	1	336.344	0.242	10	0		ECAEMM
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1	ZINC000263312243	436962879	/nfs/dbraw/zinc/96/28/79/436962879.db2.gz	IDNJCQVNTDBWTA-IALDZJHCSA-N	-1	1	341.408	0.676	10	0		ECAEMM
Cc1ccc(C[N-]S(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1	ZINC000004337679	210175126	/nfs/dbraw/zinc/17/51/26/210175126.db2.gz	DLXAFKJSOPPTLX-UHFFFAOYSA-N	-1	1	337.401	0.179	10	0		ECAEMM
CCCCN(C(=O)CN[C@H](CCC)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000262276892	165319719	/nfs/dbraw/zinc/31/97/19/165319719.db2.gz	JWHPPLPZBIDKOV-CHWSQXEVSA-N	-1	1	348.465	0.645	10	0		ECAEMM
O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1S(=O)(=O)c1nc2cnc[n-]c-2n1	ZINC000333378563	297129603	/nfs/dbraw/zinc/12/96/03/297129603.db2.gz	AOTVNCWZTUIUCA-FXPVBKGRSA-N	-1	1	335.389	0.574	10	0		ECAEMM
O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1S(=O)(=O)c1nc2cncnc2[n-]1	ZINC000333378563	297129605	/nfs/dbraw/zinc/12/96/05/297129605.db2.gz	AOTVNCWZTUIUCA-FXPVBKGRSA-N	-1	1	335.389	0.574	10	0		ECAEMM
O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1S(=O)(=O)c1nc2c[n-]cnc-2n1	ZINC000333378563	297129607	/nfs/dbraw/zinc/12/96/07/297129607.db2.gz	AOTVNCWZTUIUCA-FXPVBKGRSA-N	-1	1	335.389	0.574	10	0		ECAEMM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@@H]2SC1	ZINC000007996915	436019185	/nfs/dbraw/zinc/01/91/85/436019185.db2.gz	RDLPVSKMFDYCOR-RWSFTLGLSA-N	-1	1	349.412	0.349	10	0		ECAEMM
CN1CCN([C@H]2C[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C2)CC1	ZINC000536960510	439541197	/nfs/dbraw/zinc/54/11/97/439541197.db2.gz	VVWDHXQYWKHHHR-STQMWFEESA-N	-1	1	327.425	0.944	10	0		ECAEMM
CN(C)c1ccncc1C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC000886077532	590790677	/nfs/dbraw/zinc/79/06/77/590790677.db2.gz	GIGHXWHYSWIVBR-KRWDZBQOSA-N	-1	1	348.403	0.149	10	0		ECAEMM
O=C([O-])[C@@]1(N2CCN(c3cc(N4CCCC4)ncn3)CC2)CCOC1	ZINC000886094698	590794596	/nfs/dbraw/zinc/79/45/96/590794596.db2.gz	CBUJCGQZVLGOFT-QGZVFWFLSA-N	-1	1	347.419	0.443	10	0		ECAEMM
CCCCN(C(=O)CN[C@H](CCC)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000262276898	165319729	/nfs/dbraw/zinc/31/97/29/165319729.db2.gz	JWHPPLPZBIDKOV-QWHCGFSZSA-N	-1	1	348.465	0.645	10	0		ECAEMM
NC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)cc1[O-]	ZINC000091810306	295159035	/nfs/dbraw/zinc/15/90/35/295159035.db2.gz	JDHOQDQEHAEWTB-SECBINFHSA-N	-1	1	329.150	0.481	10	0		ECAEMM
O=c1cc(CN2CCC(Nc3cccnn3)CC2)nc2cc[n-]n21	ZINC000108867226	436621581	/nfs/dbraw/zinc/62/15/81/436621581.db2.gz	AXEJVLFXQHRSOE-UHFFFAOYSA-N	-1	1	325.376	0.889	10	0		ECAEMM
COCC[C@H](COC[P@](=O)([O-])O)n1cnc2c1ncnc2N	ZINC000038356359	213207846	/nfs/dbraw/zinc/20/78/46/213207846.db2.gz	GVIQPXIHOVVISX-MRVPVSSYSA-N	-1	1	331.269	0.138	10	0		ECAEMM
CC[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CCN1C[C@@H](C)O	ZINC000173269445	437045383	/nfs/dbraw/zinc/04/53/83/437045383.db2.gz	BBXDQZPVDUNNIZ-OLZOCXBDSA-N	-1	1	344.415	0.840	10	0		ECAEMM
O=C(N[C@@H]1CCNC1=O)c1ccc(I)c([O-])c1	ZINC000597854874	439194360	/nfs/dbraw/zinc/19/43/60/439194360.db2.gz	HDSLZQRYXZFCFE-MRVPVSSYSA-N	-1	1	346.124	0.615	10	0		ECAEMM
COc1cccc(-c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)n1	ZINC000584596496	439604253	/nfs/dbraw/zinc/60/42/53/439604253.db2.gz	HZGGUCFGNKLGIK-UHFFFAOYSA-N	-1	1	332.345	0.585	10	0		ECAEMM
COc1cccc(-c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)n1	ZINC000584596496	439604255	/nfs/dbraw/zinc/60/42/55/439604255.db2.gz	HZGGUCFGNKLGIK-UHFFFAOYSA-N	-1	1	332.345	0.585	10	0		ECAEMM
COC(=O)c1n[n-]c([C@@H]2OC[C@@H]3OC(C)(C)O[C@@H]32)c1C(=O)OC	ZINC000016952747	436097701	/nfs/dbraw/zinc/09/77/01/436097701.db2.gz	HVHHEWNJKVREBW-CYUDJLOBSA-N	-1	1	326.305	0.574	10	0		ECAEMM
O=S(=O)([N-][C@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1F	ZINC000172103473	436999118	/nfs/dbraw/zinc/99/91/18/436999118.db2.gz	HHLKIQGUMCCUHG-ZETCQYMHSA-N	-1	1	332.307	0.989	10	0		ECAEMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]CCn2cc(C)cn2)o1	ZINC000177509230	437187595	/nfs/dbraw/zinc/18/75/95/437187595.db2.gz	MUTNINXRDVJKKZ-UHFFFAOYSA-N	-1	1	327.362	0.940	10	0		ECAEMM
NS(=O)(=O)c1cccc(-c2ccc(CO)cc2)c1-c1nn[n-]n1	ZINC000584611694	439605137	/nfs/dbraw/zinc/60/51/37/439605137.db2.gz	NVAPOOJIRBPVGS-UHFFFAOYSA-N	-1	1	331.357	0.673	10	0		ECAEMM
O=C(C=Cc1ccc2c(c1)CCO2)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000886033208	590788251	/nfs/dbraw/zinc/78/82/51/590788251.db2.gz	PSIBDNSXCVPAMM-XBPVQUQDSA-N	-1	1	327.344	0.748	10	0		ECAEMM
Cn1c(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)nnc1C1CC1	ZINC000886071900	590790012	/nfs/dbraw/zinc/79/00/12/590790012.db2.gz	PFKWQUZYTNOSRI-INIZCTEOSA-N	-1	1	335.408	0.054	10	0		ECAEMM
COc1ccc(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cc1	ZINC000886096634	590795403	/nfs/dbraw/zinc/79/54/03/590795403.db2.gz	HNJNOUXBESFJQT-SFHVURJKSA-N	-1	1	348.399	0.626	10	0		ECAEMM
COc1ccc(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cc1	ZINC000886096633	590795877	/nfs/dbraw/zinc/79/58/77/590795877.db2.gz	HNJNOUXBESFJQT-GOSISDBHSA-N	-1	1	348.399	0.626	10	0		ECAEMM
CCC[C@H](N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000262299002	165325491	/nfs/dbraw/zinc/32/54/91/165325491.db2.gz	PSAXQLKUDWLNDI-SKDRFNHKSA-N	-1	1	343.405	0.504	10	0		ECAEMM
CCC[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-]	ZINC000262237423	276044500	/nfs/dbraw/zinc/04/45/00/276044500.db2.gz	ATDPRINFNVSDQN-LBPRGKRZSA-N	-1	1	333.344	0.694	10	0		ECAEMM
CC(C)C[C@H](CNC(=O)NCCCN1CCC[C@@H]1C(N)=O)C(=O)[O-]	ZINC000263104002	279153374	/nfs/dbraw/zinc/15/33/74/279153374.db2.gz	XLOFNFBEMBBMFC-CHWSQXEVSA-N	-1	1	342.440	0.372	10	0		ECAEMM
CC[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CCN1C[C@@H](C)O	ZINC000173269431	437045223	/nfs/dbraw/zinc/04/52/23/437045223.db2.gz	BBXDQZPVDUNNIZ-CHWSQXEVSA-N	-1	1	344.415	0.840	10	0		ECAEMM
CCn1cc(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCC3)nc1C	ZINC000180198652	609986783	/nfs/dbraw/zinc/98/67/83/609986783.db2.gz	PNBFOXFDUOQSLW-UHFFFAOYSA-N	-1	1	337.405	0.932	10	0		ECAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H](C)N1CCOCC1	ZINC000104033282	219340919	/nfs/dbraw/zinc/34/09/19/219340919.db2.gz	ZTORDZODJRCREB-NSHDSACASA-N	-1	1	347.419	0.019	10	0		ECAEMM
Nc1ccc(S(=O)(=O)N(CCc2nn[n-]n2)c2ccccn2)cc1	ZINC000033864829	436253264	/nfs/dbraw/zinc/25/32/64/436253264.db2.gz	CZSHNVBLPFCMFV-UHFFFAOYSA-N	-1	1	345.388	0.615	10	0		ECAEMM
Cc1nc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C)c(Br)n1C	ZINC000287883797	437248887	/nfs/dbraw/zinc/24/88/87/437248887.db2.gz	QWENKKOKAYLLGM-XPUUQOCRSA-N	-1	1	338.227	0.947	10	0		ECAEMM
Cc1nc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)CCO2)sc1C	ZINC000330232117	320811611	/nfs/dbraw/zinc/81/16/11/320811611.db2.gz	XFBORCLKNKBADI-GFCCVEGCSA-N	-1	1	331.463	0.901	10	0		ECAEMM
CCCCN(C(=O)CN[C@@H](CCC)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000262276901	165320646	/nfs/dbraw/zinc/32/06/46/165320646.db2.gz	JWHPPLPZBIDKOV-STQMWFEESA-N	-1	1	348.465	0.645	10	0		ECAEMM
COC(=O)c1n[n-]c([C@H]2OC[C@@H]3OC(C)(C)O[C@H]23)c1C(=O)OC	ZINC000016952749	436097839	/nfs/dbraw/zinc/09/78/39/436097839.db2.gz	HVHHEWNJKVREBW-NRZXQICZSA-N	-1	1	326.305	0.574	10	0		ECAEMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C)C1CC1	ZINC000023040476	436122517	/nfs/dbraw/zinc/12/25/17/436122517.db2.gz	ZEVYCHYOMDPMFO-NSHDSACASA-N	-1	1	334.420	0.762	10	0		ECAEMM
CCC[C@H](N[C@H](C)C(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-]	ZINC000262264202	436919976	/nfs/dbraw/zinc/91/99/76/436919976.db2.gz	HAQYSPUIIGWLNH-OLZOCXBDSA-N	-1	1	335.408	0.357	10	0		ECAEMM
Cc1nc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C)c(Br)n1C	ZINC000287883790	437249340	/nfs/dbraw/zinc/24/93/40/437249340.db2.gz	QWENKKOKAYLLGM-HTRCEHHLSA-N	-1	1	338.227	0.947	10	0		ECAEMM
O=C([O-])[C@]1(N2CCN(c3nccc(C(F)(F)F)n3)CC2)CCOC1	ZINC000886095459	590794929	/nfs/dbraw/zinc/79/49/29/590794929.db2.gz	XBZFKAGMOMWLNJ-ZDUSSCGKSA-N	-1	1	346.309	0.861	10	0		ECAEMM
O=c1[n-]c(=O)n(-c2ccc3nnc(C(F)(F)F)n3n2)cc1Cl	ZINC000080759813	285195335	/nfs/dbraw/zinc/19/53/35/285195335.db2.gz	PFTDIXVTZHDGBU-UHFFFAOYSA-N	-1	1	332.629	0.636	10	0		ECAEMM
Cc1nc(S(=O)(=O)[N-]CCn2cncn2)c(Br)n1C	ZINC000286975159	437148677	/nfs/dbraw/zinc/14/86/77/437148677.db2.gz	RZZMKCRRMXZMDL-UHFFFAOYSA-N	-1	1	349.214	0.061	10	0		ECAEMM
C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C[C@@H]1N1CCOCC1	ZINC000177232320	437176162	/nfs/dbraw/zinc/17/61/62/437176162.db2.gz	ZMVUQYDLNJEWCJ-WFASDCNBSA-N	-1	1	342.399	0.716	10	0		ECAEMM
CCC[C@@H]1CN(Cc2cc(=O)n3nc(C)[n-]c3n2)C[C@H]1NC(C)=O	ZINC000095513150	436497178	/nfs/dbraw/zinc/49/71/78/436497178.db2.gz	UMIZIDHHLXIHIM-TZMCWYRMSA-N	-1	1	332.408	0.875	10	0		ECAEMM
O=C([O-])[C@]1(N2CCN(C(=O)c3cccc4c[nH]nc43)CC2)CCOC1	ZINC000886096602	590795362	/nfs/dbraw/zinc/79/53/62/590795362.db2.gz	FVVJRBXDQQHIHK-KRWDZBQOSA-N	-1	1	344.371	0.564	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2)co1	ZINC000155276167	530025128	/nfs/dbraw/zinc/02/51/28/530025128.db2.gz	PHWSKWJZHAPYAN-GFCCVEGCSA-N	-1	1	338.389	0.689	10	0		ECAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)co1	ZINC000130484454	530025150	/nfs/dbraw/zinc/02/51/50/530025150.db2.gz	CBKJKLZZWRAQGE-GFCCVEGCSA-N	-1	1	338.389	0.899	10	0		ECAEMM
CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000174645991	263150927	/nfs/dbraw/zinc/15/09/27/263150927.db2.gz	JJFFQRFVOHKEFB-SNVBAGLBSA-N	-1	1	331.376	0.546	10	0		ECAEMM
CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000174645991	263150928	/nfs/dbraw/zinc/15/09/28/263150928.db2.gz	JJFFQRFVOHKEFB-SNVBAGLBSA-N	-1	1	331.376	0.546	10	0		ECAEMM
O=C(N[C@@H]1CCNC1=O)c1cc(I)ccc1[O-]	ZINC000597857145	439196481	/nfs/dbraw/zinc/19/64/81/439196481.db2.gz	RNIQWJXXSXQIST-MRVPVSSYSA-N	-1	1	346.124	0.615	10	0		ECAEMM
O=C([O-])c1ccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)s1	ZINC000035426952	213027209	/nfs/dbraw/zinc/02/72/09/213027209.db2.gz	YMRQOFNOCBDDAG-ZCFIWIBFSA-N	-1	1	325.389	0.375	10	0		ECAEMM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)CC2	ZINC000114875022	436644576	/nfs/dbraw/zinc/64/45/76/436644576.db2.gz	SVVQMTXVICTGHT-QMMMGPOBSA-N	-1	1	344.828	0.521	10	0		ECAEMM
CCc1nc2n(n1)C[C@@H](NC(=O)c1nc3ccccc3c(=O)[n-]1)CC2	ZINC000114875411	436644862	/nfs/dbraw/zinc/64/48/62/436644862.db2.gz	DMBCWKWBQCNRQR-JTQLQIEISA-N	-1	1	338.371	0.822	10	0		ECAEMM
CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C1	ZINC000263312248	436962601	/nfs/dbraw/zinc/96/26/01/436962601.db2.gz	IDNJCQVNTDBWTA-ZFDZMSFRSA-N	-1	1	341.408	0.676	10	0		ECAEMM
CN(C)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)cn1	ZINC000584596474	439603854	/nfs/dbraw/zinc/60/38/54/439603854.db2.gz	GBPKMBGXDREVQZ-UHFFFAOYSA-N	-1	1	345.388	0.642	10	0		ECAEMM
O=C(NC[C@H](O)CN1CCOCC1)c1ccc2ccc(O)cc2c1[O-]	ZINC000828589442	591168972	/nfs/dbraw/zinc/16/89/72/591168972.db2.gz	FEZVQMNVXRBYFA-AWEZNQCLSA-N	-1	1	346.383	0.674	10	0		ECAEMM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@H]2SC1	ZINC000003978030	210095218	/nfs/dbraw/zinc/09/52/18/210095218.db2.gz	RDLPVSKMFDYCOR-FIXISWKDSA-N	-1	1	349.412	0.349	10	0		ECAEMM
CC[N@@H+]1CCC[C@@H](CN(C)Cc2nc(=O)n(C)[n-]2)[C@@H]1c1cnn(C)c1	ZINC000333037379	297103525	/nfs/dbraw/zinc/10/35/25/297103525.db2.gz	NUDRHDLUIDLRED-XJKSGUPXSA-N	-1	1	347.467	0.747	10	0		ECAEMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C)C1CC1	ZINC000023040475	436123121	/nfs/dbraw/zinc/12/31/21/436123121.db2.gz	ZEVYCHYOMDPMFO-LLVKDONJSA-N	-1	1	334.420	0.762	10	0		ECAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCCC[C@@H]1O	ZINC000155626053	436799596	/nfs/dbraw/zinc/79/95/96/436799596.db2.gz	KUSLSHSNCQFTNS-JSGCOSHPSA-N	-1	1	332.404	0.849	10	0		ECAEMM
O=C(NC[C@@H](O)CN1CCOCC1)c1ccc2ccccc2c1[O-]	ZINC000129509331	436827749	/nfs/dbraw/zinc/82/77/49/436827749.db2.gz	LLKZORYNWYJJTA-CQSZACIVSA-N	-1	1	330.384	0.968	10	0		ECAEMM
CCC[C@H](NC(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O)C(=O)[O-]	ZINC000262413652	436932674	/nfs/dbraw/zinc/93/26/74/436932674.db2.gz	YNFLLKDJQBVKBP-NSHDSACASA-N	-1	1	345.359	0.860	10	0		ECAEMM
CNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1	ZINC000184965586	437420085	/nfs/dbraw/zinc/42/00/85/437420085.db2.gz	BQMKSNGICNTCJW-ZDUSSCGKSA-N	-1	1	338.433	0.300	10	0		ECAEMM
C[N@H+](CC(=O)[O-])C[C@H]1CN(c2ccc(OC(F)F)cn2)CCO1	ZINC000262116241	165294908	/nfs/dbraw/zinc/29/49/08/165294908.db2.gz	LHNJJLDUIVZBND-NSHDSACASA-N	-1	1	331.319	0.905	10	0		ECAEMM
O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1S(=O)(=O)c1nc2cnc[n-]c-2n1	ZINC000333379289	297129860	/nfs/dbraw/zinc/12/98/60/297129860.db2.gz	AOTVNCWZTUIUCA-NGZCFLSTSA-N	-1	1	335.389	0.574	10	0		ECAEMM
O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1S(=O)(=O)c1nc2cncnc2[n-]1	ZINC000333379289	297129862	/nfs/dbraw/zinc/12/98/62/297129862.db2.gz	AOTVNCWZTUIUCA-NGZCFLSTSA-N	-1	1	335.389	0.574	10	0		ECAEMM
O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1S(=O)(=O)c1nc2c[n-]cnc-2n1	ZINC000333379289	297129863	/nfs/dbraw/zinc/12/98/63/297129863.db2.gz	AOTVNCWZTUIUCA-NGZCFLSTSA-N	-1	1	335.389	0.574	10	0		ECAEMM
COC(=O)C(=O)[C@@H]1C(=O)C(O)=C(CCCCCCC(=O)[O-])C1=O	ZINC000169155510	436942362	/nfs/dbraw/zinc/94/23/62/436942362.db2.gz	LFMPQNTXQKMBIJ-SCZZXKLOSA-N	-1	1	326.301	0.107	10	0		ECAEMM
O=C1NCC[C@H]1[N-]S(=O)(=O)c1sccc1Br	ZINC000657029886	440928118	/nfs/dbraw/zinc/92/81/18/440928118.db2.gz	JFMCDKURZOWGHJ-ZCFIWIBFSA-N	-1	1	325.209	0.677	10	0		ECAEMM
COCc1nc(C)cc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1	ZINC000886095348	590794268	/nfs/dbraw/zinc/79/42/68/590794268.db2.gz	SUGXHBQPHZJYHH-MRXNPFEDSA-N	-1	1	336.392	0.297	10	0		ECAEMM
Cc1[n-][nH]c(=O)c1CC(=O)NCCc1cc(N2CCCC2)ncn1	ZINC000072411578	608844913	/nfs/dbraw/zinc/84/49/13/608844913.db2.gz	KNORPVBIYRSCRP-UHFFFAOYSA-N	-1	1	330.392	0.715	10	0		ECAEMM
COCC[C@@H](COC[P@](=O)([O-])O)n1cnc2c1ncnc2N	ZINC000038356357	213207371	/nfs/dbraw/zinc/20/73/71/213207371.db2.gz	GVIQPXIHOVVISX-QMMMGPOBSA-N	-1	1	331.269	0.138	10	0		ECAEMM
Cc1cnn(CCNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1	ZINC000117811560	221091860	/nfs/dbraw/zinc/09/18/60/221091860.db2.gz	JHLMGZLDUODDKJ-UHFFFAOYSA-N	-1	1	328.376	0.503	10	0		ECAEMM
CCC[C@@H](N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000262298993	278872521	/nfs/dbraw/zinc/87/25/21/278872521.db2.gz	PSAXQLKUDWLNDI-BXKDBHETSA-N	-1	1	343.405	0.504	10	0		ECAEMM
NS(=O)(=O)c1cccc(-c2ccc(CO)nc2)c1-c1nn[n-]n1	ZINC000584596491	439603986	/nfs/dbraw/zinc/60/39/86/439603986.db2.gz	HBXLIZYOJWSEST-UHFFFAOYSA-N	-1	1	332.345	0.068	10	0		ECAEMM