smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000262916433	245249623	/nfs/dbraw/zinc/24/96/23/245249623.db2.gz	UDSHVOLOXUWNTN-SKDRFNHKSA-N	-2	3	346.380	0.718	10	0		ECAEHL
CCC[C@@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000262962297	245273104	/nfs/dbraw/zinc/27/31/04/245273104.db2.gz	OJLCLNHLHWFKIB-BZNIZROVSA-N	-2	3	333.344	0.724	10	0		ECAEHL
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000262156565	165301632	/nfs/dbraw/zinc/30/16/32/165301632.db2.gz	RYUDCPZSBCSFEN-KOLCDFICSA-N	-2	3	344.364	0.568	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N(C)CCCC(=O)[O-]	ZINC000262571413	165363112	/nfs/dbraw/zinc/36/31/12/165363112.db2.gz	CPVXAQLFJBIHPM-SECBINFHSA-N	-2	3	347.393	0.281	10	0		ECAEHL
O=C([O-])CN1CCN(Cc2cc(=O)[n-]c(-c3ccccc3F)n2)CC1	ZINC000073696071	202372017	/nfs/dbraw/zinc/37/20/17/202372017.db2.gz	ZXGMLTWSDICCLD-UHFFFAOYSA-N	-2	3	346.362	0.778	10	0		ECAEHL
CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCP(=O)([O-])[O-]	ZINC000031538469	201388308	/nfs/dbraw/zinc/38/83/08/201388308.db2.gz	UYGTVQNSPBEEPR-UHFFFAOYSA-N	-2	3	329.297	0.686	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000262972745	436945710	/nfs/dbraw/zinc/94/57/10/436945710.db2.gz	LXIFLLRYNWBRIF-CBAPKCEASA-N	-2	3	347.393	0.137	10	0		ECAEHL
CCC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262136787	165298298	/nfs/dbraw/zinc/29/82/98/165298298.db2.gz	LJPIIGKWTGVMTH-SCZZXKLOSA-N	-2	3	347.393	0.328	10	0		ECAEHL
Cc1cc(C(=O)N2CCN3CCCC[C@H]3C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000174343742	207011976	/nfs/dbraw/zinc/01/19/76/207011976.db2.gz	IYGTYLCJUYZPCT-NSHDSACASA-N	-2	3	343.387	0.642	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000262168598	436912533	/nfs/dbraw/zinc/91/25/33/436912533.db2.gz	USKQEIWRGMRIDJ-SCZZXKLOSA-N	-2	3	345.377	0.034	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000262972744	436945612	/nfs/dbraw/zinc/94/56/12/436945612.db2.gz	LXIFLLRYNWBRIF-APPZFPTMSA-N	-2	3	347.393	0.137	10	0		ECAEHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	ZINC000263202224	436955477	/nfs/dbraw/zinc/95/54/77/436955477.db2.gz	MMJVAOOGKNBIAN-IUCAKERBSA-N	-2	3	345.377	0.460	10	0		ECAEHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	ZINC000263202224	436955484	/nfs/dbraw/zinc/95/54/84/436955484.db2.gz	MMJVAOOGKNBIAN-IUCAKERBSA-N	-2	3	345.377	0.460	10	0		ECAEHL
CCC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000262144989	436911833	/nfs/dbraw/zinc/91/18/33/436911833.db2.gz	MODCXCCOWGVYGI-IUCAKERBSA-N	-2	3	334.419	0.784	10	0		ECAEHL
CCc1ccc([O-])c(C(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)[O-])c1	ZINC000263386831	436963737	/nfs/dbraw/zinc/96/37/37/436963737.db2.gz	CTRRURYDARBZCL-GFCCVEGCSA-N	-2	3	330.344	0.964	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(CC(=O)[O-])C1CC1	ZINC000262147189	165299888	/nfs/dbraw/zinc/29/98/88/165299888.db2.gz	LBJWSFXQWZKPES-QMMMGPOBSA-N	-2	3	345.377	0.034	10	0		ECAEHL
CCN(CCC(=O)[O-])C(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000262598272	165365937	/nfs/dbraw/zinc/36/59/37/165365937.db2.gz	JHMUDIFWLSTMRV-SECBINFHSA-N	-2	3	347.393	0.281	10	0		ECAEHL
O=C([O-])Cn1cc([N-]c2nc3c(Br)cccn3n2)cn1	ZINC000642881997	547399044	/nfs/dbraw/zinc/39/90/44/547399044.db2.gz	RCQOLMZPXNXYGT-UHFFFAOYSA-N	-2	3	337.137	1.517	10	0		ECAEHL
CC(C)N(CC(=O)[O-])C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F	ZINC000262846554	245209955	/nfs/dbraw/zinc/20/99/55/245209955.db2.gz	VWAJZLNXNXAORQ-SNVBAGLBSA-N	-2	3	346.380	0.814	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)CCC(=O)[O-]	ZINC000262214962	165310188	/nfs/dbraw/zinc/31/01/88/165310188.db2.gz	YSDQTXBKGAFRHY-CBAPKCEASA-N	-2	3	347.393	0.328	10	0		ECAEHL
C[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br	ZINC000035600855	213042023	/nfs/dbraw/zinc/04/20/23/213042023.db2.gz	IFBRZRBZZAUQMH-SCSAIBSYSA-N	-2	3	344.208	0.868	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C)[C@H](C)C(=O)[O-]	ZINC000263496345	436967884	/nfs/dbraw/zinc/96/78/84/436967884.db2.gz	XWWRRYXRUUBWGG-ACLDMZEESA-N	-2	3	347.393	0.184	10	0		ECAEHL
CN(CC(=O)[O-])C[C@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)CCO1	ZINC000262947441	436946052	/nfs/dbraw/zinc/94/60/52/436946052.db2.gz	OFZOEQOGSKMVKL-ZDUSSCGKSA-N	-2	3	336.344	0.242	10	0		ECAEHL
CC(C)[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000262916430	535217676	/nfs/dbraw/zinc/21/76/76/535217676.db2.gz	UDSHVOLOXUWNTN-BXKDBHETSA-N	-2	3	346.380	0.718	10	0		ECAEHL
O=C([O-])c1cc(S(=O)(=O)[N-]CCCO)c(Br)s1	ZINC000035600980	213041468	/nfs/dbraw/zinc/04/14/68/213041468.db2.gz	JIICEPWCPOKCAQ-UHFFFAOYSA-N	-2	3	344.208	0.870	10	0		ECAEHL
CCCN(CC(=O)[O-])C(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000262375394	165340535	/nfs/dbraw/zinc/34/05/35/165340535.db2.gz	NBKTVNAAARLBPD-SECBINFHSA-N	-2	3	347.393	0.281	10	0		ECAEHL
O=C([O-])c1sccc1[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000035306614	213019882	/nfs/dbraw/zinc/01/98/82/213019882.db2.gz	NQJISXUSCBOLEB-ZCFIWIBFSA-N	-2	3	325.389	0.375	10	0		ECAEHL
CN1c2c(=O)[n-]c(N)nc2NC[C@@H]1CNc1ccc(C(=O)[O-])cc1	ZINC000098207756	436545454	/nfs/dbraw/zinc/54/54/54/436545454.db2.gz	OCWWMSJBVHBZEF-JTQLQIEISA-N	-2	3	330.348	0.393	10	0	in-vitro	ECAEHL
CCC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000262144982	436910712	/nfs/dbraw/zinc/91/07/12/436910712.db2.gz	MODCXCCOWGVYGI-BDAKNGLRSA-N	-2	3	334.419	0.784	10	0		ECAEHL
C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000037000248	213130017	/nfs/dbraw/zinc/13/00/17/213130017.db2.gz	MDUNVMUXQQTNJH-VIFPVBQESA-N	-2	3	329.403	0.939	10	0		ECAEHL
CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000262331693	165331792	/nfs/dbraw/zinc/33/17/92/165331792.db2.gz	YDPBPMVKEURHHQ-NSHDSACASA-N	-2	3	346.380	0.864	10	0		ECAEHL
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCC(=O)[O-]	ZINC000262779178	165386410	/nfs/dbraw/zinc/38/64/10/165386410.db2.gz	XPDXZKJTSDAYHX-SECBINFHSA-N	-2	3	332.353	0.474	10	0		ECAEHL
Cc1cc(C(=O)N2CCN3CCCC[C@@H]3C2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000174343728	534045438	/nfs/dbraw/zinc/04/54/38/534045438.db2.gz	IYGTYLCJUYZPCT-LLVKDONJSA-N	-2	3	343.387	0.642	10	0		ECAEHL
C/C=C/C[C@@H](NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000262788848	165386496	/nfs/dbraw/zinc/38/64/96/165386496.db2.gz	KFRQMKNQTGXKLW-INCXETSXSA-N	-2	3	345.355	0.890	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000262168594	165303315	/nfs/dbraw/zinc/30/33/15/165303315.db2.gz	USKQEIWRGMRIDJ-PSASIEDQSA-N	-2	3	345.377	0.034	10	0		ECAEHL
CN(CC(=O)[O-])C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)CCO1	ZINC000262947435	436946830	/nfs/dbraw/zinc/94/68/30/436946830.db2.gz	OFZOEQOGSKMVKL-CYBMUJFWSA-N	-2	3	336.344	0.242	10	0		ECAEHL
CCC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000262376712	283911285	/nfs/dbraw/zinc/91/12/85/283911285.db2.gz	NJKYEWSOUJNNDM-ONGXEEELSA-N	-2	3	346.380	0.862	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC1(C(=O)[O-])CCC1	ZINC000263148655	436952644	/nfs/dbraw/zinc/95/26/44/436952644.db2.gz	LHJIQYVICLOTGK-QMMMGPOBSA-N	-2	3	345.377	0.082	10	0		ECAEHL
C[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br	ZINC000035600768	213042068	/nfs/dbraw/zinc/04/20/68/213042068.db2.gz	OUINPKZUXZXOSZ-SCSAIBSYSA-N	-2	3	344.208	0.868	10	0		ECAEHL
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000262909270	245245748	/nfs/dbraw/zinc/24/57/48/245245748.db2.gz	RRLBUQKIDUTRQF-BDAKNGLRSA-N	-2	3	332.353	0.424	10	0		ECAEHL
C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br	ZINC000035600854	213041729	/nfs/dbraw/zinc/04/17/29/213041729.db2.gz	IFBRZRBZZAUQMH-BYPYZUCNSA-N	-2	3	344.208	0.868	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H](C)CCC(=O)[O-]	ZINC000262214966	165309845	/nfs/dbraw/zinc/30/98/45/165309845.db2.gz	YSDQTXBKGAFRHY-VXNVDRBHSA-N	-2	3	347.393	0.328	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)CCCC(=O)[O-]	ZINC000262571414	165362950	/nfs/dbraw/zinc/36/29/50/165362950.db2.gz	CPVXAQLFJBIHPM-VIFPVBQESA-N	-2	3	347.393	0.281	10	0		ECAEHL
CCCN(CC(=O)[O-])C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F	ZINC000262358527	436925714	/nfs/dbraw/zinc/92/57/14/436925714.db2.gz	IBMLYRRCWLFTGL-SNVBAGLBSA-N	-2	3	346.380	0.816	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000262146182	165297602	/nfs/dbraw/zinc/29/76/02/165297602.db2.gz	LKGFZOZFWCQXJH-SCZZXKLOSA-N	-2	3	347.393	0.184	10	0		ECAEHL
CCC[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262136785	165298011	/nfs/dbraw/zinc/29/80/11/165298011.db2.gz	LJPIIGKWTGVMTH-PSASIEDQSA-N	-2	3	347.393	0.328	10	0		ECAEHL
CCC[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000262373285	436928045	/nfs/dbraw/zinc/92/80/45/436928045.db2.gz	MFLYGYQIWPLLPL-SSDOTTSWSA-N	-2	3	348.153	0.081	10	0		ECAEHL
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000261916940	436896751	/nfs/dbraw/zinc/89/67/51/436896751.db2.gz	XCVWJHGRMMFDIC-ZJUUUORDSA-N	-2	3	344.364	0.426	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NC[C@@H](C)CC(=O)[O-]	ZINC000262212471	165308849	/nfs/dbraw/zinc/30/88/49/165308849.db2.gz	XKMZCNJHGMGJOO-IONNQARKSA-N	-2	3	347.393	0.185	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCC(C)(C)C(=O)[O-]	ZINC000262178565	263176893	/nfs/dbraw/zinc/17/68/93/263176893.db2.gz	FDAAGNLUPMYNJK-MRVPVSSYSA-N	-2	3	347.393	0.185	10	0		ECAEHL
C/C=C/C[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)[O-]	ZINC000262788852	165388996	/nfs/dbraw/zinc/38/89/96/165388996.db2.gz	KFRQMKNQTGXKLW-QSBLFJKKSA-N	-2	3	345.355	0.890	10	0		ECAEHL
CO[C@@H](CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(=O)[O-]	ZINC000263064300	293543282	/nfs/dbraw/zinc/54/32/82/293543282.db2.gz	IEIUQCMMINVDKQ-JTQLQIEISA-N	-2	3	334.325	0.027	10	0		ECAEHL
O=C([O-])C1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)[N-]3)CC1	ZINC000085347544	436388523	/nfs/dbraw/zinc/38/85/23/436388523.db2.gz	XMIMWMSTGKPDFB-UHFFFAOYSA-N	-2	3	338.341	0.307	10	0		ECAEHL
CC[C@@](C)(NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262385537	165342552	/nfs/dbraw/zinc/34/25/52/165342552.db2.gz	DNFYDLZMOGVWJG-AMIZOPFISA-N	-2	3	347.393	0.328	10	0		ECAEHL
CN(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1	ZINC000262870294	165396478	/nfs/dbraw/zinc/39/64/78/165396478.db2.gz	CSMUGJGILROORD-CYBMUJFWSA-N	-2	3	336.344	0.242	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H](C)[C@H](C)C(=O)[O-]	ZINC000263496347	436968459	/nfs/dbraw/zinc/96/84/59/436968459.db2.gz	XWWRRYXRUUBWGG-LKEWCRSYSA-N	-2	3	347.393	0.184	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)C(C)(C)C(=O)[O-]	ZINC000262493322	302843918	/nfs/dbraw/zinc/84/39/18/302843918.db2.gz	XTWZMJVYJWLSBM-QMMMGPOBSA-N	-2	3	347.393	0.280	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000262168604	165303584	/nfs/dbraw/zinc/30/35/84/165303584.db2.gz	USKQEIWRGMRIDJ-WPRPVWTQSA-N	-2	3	345.377	0.034	10	0		ECAEHL
CCC[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000262144993	436910746	/nfs/dbraw/zinc/91/07/46/436910746.db2.gz	MODCXCCOWGVYGI-RKDXNWHRSA-N	-2	3	334.419	0.784	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-]	ZINC000263496346	436968636	/nfs/dbraw/zinc/96/86/36/436968636.db2.gz	XWWRRYXRUUBWGG-BKPPORCPSA-N	-2	3	347.393	0.184	10	0		ECAEHL
CCC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262136790	165299039	/nfs/dbraw/zinc/29/90/39/165299039.db2.gz	LJPIIGKWTGVMTH-WPRPVWTQSA-N	-2	3	347.393	0.328	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCCCCC(=O)[O-]	ZINC000262330398	165331842	/nfs/dbraw/zinc/33/18/42/165331842.db2.gz	GPCARFNTCVYSCM-SECBINFHSA-N	-2	3	347.393	0.329	10	0		ECAEHL
CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)CC(=O)[O-]	ZINC000262367612	165338489	/nfs/dbraw/zinc/33/84/89/165338489.db2.gz	ACKVZUOVQDAITI-CYBMUJFWSA-N	-2	3	346.380	0.672	10	0		ECAEHL
Cc1ccc(-c2nc(CN3CCN(CC(=O)[O-])CC3)cc(=O)[n-]2)cc1	ZINC000073696030	202372281	/nfs/dbraw/zinc/37/22/81/202372281.db2.gz	YKCXRDNGLWNAPN-UHFFFAOYSA-N	-2	3	342.399	0.948	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H](C)[C@@H](C)C(=O)[O-]	ZINC000263496348	436968602	/nfs/dbraw/zinc/96/86/02/436968602.db2.gz	XWWRRYXRUUBWGG-ZXFLCMHBSA-N	-2	3	347.393	0.184	10	0		ECAEHL
O=C([O-])CNS(=O)(=O)c1cc2cccc3c2c(c1)C(=O)[N-]C3=O	ZINC000041124701	201089755	/nfs/dbraw/zinc/08/97/55/201089755.db2.gz	XZGRXOJHVOSVDN-UHFFFAOYSA-N	-2	3	334.309	0.086	10	0		ECAEHL
COc1cccnc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000069843732	203056072	/nfs/dbraw/zinc/05/60/72/203056072.db2.gz	SBDUAQBDOGMIEA-UHFFFAOYSA-N	-2	3	333.325	0.775	10	0		ECAEHL
CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000262331690	165330440	/nfs/dbraw/zinc/33/04/40/165330440.db2.gz	YDPBPMVKEURHHQ-LLVKDONJSA-N	-2	3	346.380	0.864	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000262168601	165303475	/nfs/dbraw/zinc/30/34/75/165303475.db2.gz	USKQEIWRGMRIDJ-WCBMZHEXSA-N	-2	3	345.377	0.034	10	0		ECAEHL
CCCn1[n-]ccc1=NC(=O)CN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000886029104	590787271	/nfs/dbraw/zinc/78/72/71/590787271.db2.gz	NSNDEFVYXMRZOW-NXEZZACHSA-N	-2	3	348.325	0.848	10	0		ECAEHL
O=C([O-])CC[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2	ZINC000032917776	202242124	/nfs/dbraw/zinc/24/21/24/202242124.db2.gz	GFNGHTKBIXDAMM-UHFFFAOYSA-N	-2	3	334.737	0.424	10	0		ECAEHL
CS(=O)(=O)CCC[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000038047267	202093009	/nfs/dbraw/zinc/09/30/09/202093009.db2.gz	IVKGKRQVIRRZDE-UHFFFAOYSA-N	-2	3	341.432	0.088	10	0		ECAEHL
O=C([O-])[C@H](Cn1cc(Cl)c(=O)[n-]c1=O)NC(=O)c1cccs1	ZINC000067896082	202353549	/nfs/dbraw/zinc/35/35/49/202353549.db2.gz	UVQFBHJWMYRLIZ-ZETCQYMHSA-N	-2	3	343.748	0.135	10	0		ECAEHL
O=C([O-])c1sccc1[N-]S(=O)(=O)[C@H]1CCS(=O)(=O)C1	ZINC000035306617	213019406	/nfs/dbraw/zinc/01/94/06/213019406.db2.gz	NQJISXUSCBOLEB-LURJTMIESA-N	-2	3	325.389	0.375	10	0		ECAEHL
Cc1nccc(C[N-]S(=O)(=O)c2ccc(CC(=O)[O-])s2)n1	ZINC000038037587	213195956	/nfs/dbraw/zinc/19/59/56/213195956.db2.gz	OSVOQCVBTHDDSN-UHFFFAOYSA-N	-2	3	327.387	0.952	10	0		ECAEHL
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-]	ZINC000020301774	212118150	/nfs/dbraw/zinc/11/81/50/212118150.db2.gz	MVDDHOKTOGCXRG-HZGVNTEJSA-N	-2	3	327.280	0.818	10	0		ECAEHL
CCN(CCC(=O)[O-])C(=O)CC[N-]S(=O)(=O)c1cccs1	ZINC000038022870	213190998	/nfs/dbraw/zinc/19/09/98/213190998.db2.gz	JEIBHHJLQHNJJZ-UHFFFAOYSA-N	-2	3	334.419	0.740	10	0		ECAEHL
O=C([O-])c1ccc(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])cc1	ZINC000090686280	436435669	/nfs/dbraw/zinc/43/56/69/436435669.db2.gz	ZRWLBBANJLHZBG-UHFFFAOYSA-N	-5	3	339.177	0.457	10	0		ECAEHL
CCC[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000262962303	245272884	/nfs/dbraw/zinc/27/28/84/245272884.db2.gz	OJLCLNHLHWFKIB-ZBEGNZNMSA-N	-2	3	333.344	0.724	10	0		ECAEHL
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000261916928	436896219	/nfs/dbraw/zinc/89/62/19/436896219.db2.gz	XCVWJHGRMMFDIC-NXEZZACHSA-N	-2	3	344.364	0.426	10	0		ECAEHL
CCN1CCC[C@H](NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000174645980	263150977	/nfs/dbraw/zinc/15/09/77/263150977.db2.gz	JJFFQRFVOHKEFB-JTQLQIEISA-N	-2	3	331.376	0.546	10	0		ECAEHL
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)CCC(=O)[O-]	ZINC000262777482	245173485	/nfs/dbraw/zinc/17/34/85/245173485.db2.gz	WXECOOXQKHJYTF-SECBINFHSA-N	-2	3	332.353	0.426	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000262146180	165298281	/nfs/dbraw/zinc/29/82/81/165298281.db2.gz	LKGFZOZFWCQXJH-PSASIEDQSA-N	-2	3	347.393	0.184	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@H](C)CC(=O)[O-]	ZINC000262212466	165308794	/nfs/dbraw/zinc/30/87/94/165308794.db2.gz	XKMZCNJHGMGJOO-APPZFPTMSA-N	-2	3	347.393	0.185	10	0		ECAEHL
CCC[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000262373287	244946553	/nfs/dbraw/zinc/94/65/53/244946553.db2.gz	MFLYGYQIWPLLPL-ZETCQYMHSA-N	-2	3	348.153	0.081	10	0		ECAEHL
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000262909280	245245133	/nfs/dbraw/zinc/24/51/33/245245133.db2.gz	RRLBUQKIDUTRQF-RKDXNWHRSA-N	-2	3	332.353	0.424	10	0		ECAEHL
CCC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262136788	165297460	/nfs/dbraw/zinc/29/74/60/165297460.db2.gz	LJPIIGKWTGVMTH-WCBMZHEXSA-N	-2	3	347.393	0.328	10	0		ECAEHL
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000262156567	436910686	/nfs/dbraw/zinc/91/06/86/436910686.db2.gz	RYUDCPZSBCSFEN-MWLCHTKSSA-N	-2	3	344.364	0.568	10	0		ECAEHL
C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000037000249	213130561	/nfs/dbraw/zinc/13/05/61/213130561.db2.gz	MDUNVMUXQQTNJH-SECBINFHSA-N	-2	3	329.403	0.939	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NC[C@H](C)CC(=O)[O-]	ZINC000262212474	165308416	/nfs/dbraw/zinc/30/84/16/165308416.db2.gz	XKMZCNJHGMGJOO-VXNVDRBHSA-N	-2	3	347.393	0.185	10	0		ECAEHL
CCCN(CC(=O)[O-])C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000262375395	165340667	/nfs/dbraw/zinc/34/06/67/165340667.db2.gz	NBKTVNAAARLBPD-VIFPVBQESA-N	-2	3	347.393	0.281	10	0		ECAEHL
CN(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1	ZINC000262870295	165396849	/nfs/dbraw/zinc/39/68/49/165396849.db2.gz	CSMUGJGILROORD-ZDUSSCGKSA-N	-2	3	336.344	0.242	10	0		ECAEHL
CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000036835841	436258228	/nfs/dbraw/zinc/25/82/28/436258228.db2.gz	HIZFJKHHQQWUQR-SECBINFHSA-N	-2	3	334.419	0.786	10	0		ECAEHL
C[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br	ZINC000035600766	213042003	/nfs/dbraw/zinc/04/20/03/213042003.db2.gz	OUINPKZUXZXOSZ-BYPYZUCNSA-N	-2	3	344.208	0.868	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N(CC(=O)[O-])C(C)C	ZINC000262367677	165338568	/nfs/dbraw/zinc/33/85/68/165338568.db2.gz	AGJZFZIBQWNHST-SECBINFHSA-N	-2	3	347.393	0.280	10	0		ECAEHL
CCC(C)(C)C[N@H+](C)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000077300677	436231363	/nfs/dbraw/zinc/23/13/63/436231363.db2.gz	PWSOTTWRYVSTJJ-UHFFFAOYSA-N	-3	3	333.258	0.746	10	0	in-vitro	ECAEHL
CCC(C)(C)C[N@@H+](C)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000077300677	436231365	/nfs/dbraw/zinc/23/13/65/436231365.db2.gz	PWSOTTWRYVSTJJ-UHFFFAOYSA-N	-3	3	333.258	0.746	10	0	in-vitro	ECAEHL
O=C([O-])C[C@H](NC(=O)CCCCC[N-]C(=O)C(F)(F)F)C(=O)[O-]	ZINC000221380487	436700945	/nfs/dbraw/zinc/70/09/45/436700945.db2.gz	DXYMKGOWWDHHLL-ZETCQYMHSA-N	-3	3	342.270	0.269	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N(CC(=O)[O-])C1CC1	ZINC000262147188	436910791	/nfs/dbraw/zinc/91/07/91/436910791.db2.gz	LBJWSFXQWZKPES-MRVPVSSYSA-N	-2	3	345.377	0.034	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000262972746	436945676	/nfs/dbraw/zinc/94/56/76/436945676.db2.gz	LXIFLLRYNWBRIF-IONNQARKSA-N	-2	3	347.393	0.137	10	0		ECAEHL
CCC[C@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-]	ZINC000262154464	165300691	/nfs/dbraw/zinc/30/06/91/165300691.db2.gz	OASJCZBWLYUHOO-LBPRGKRZSA-N	-2	3	333.344	0.449	10	0		ECAEHL
CCC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000262376704	436928279	/nfs/dbraw/zinc/92/82/79/436928279.db2.gz	NJKYEWSOUJNNDM-GXSJLCMTSA-N	-2	3	346.380	0.862	10	0		ECAEHL
O=C([O-])c1nc(Cn2cc(Br)c(=O)[n-]c2=O)cs1	ZINC000104283505	219369408	/nfs/dbraw/zinc/36/94/08/219369408.db2.gz	KFIATQXDAAZPOB-UHFFFAOYSA-N	-2	3	332.135	0.502	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C)CCC(=O)[O-]	ZINC000262214964	165309832	/nfs/dbraw/zinc/30/98/32/165309832.db2.gz	YSDQTXBKGAFRHY-IONNQARKSA-N	-2	3	347.393	0.328	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCCCCC(=O)[O-]	ZINC000262330400	165331762	/nfs/dbraw/zinc/33/17/62/165331762.db2.gz	GPCARFNTCVYSCM-VIFPVBQESA-N	-2	3	347.393	0.329	10	0		ECAEHL
CC[C@](C)(NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262385544	165341800	/nfs/dbraw/zinc/34/18/00/165341800.db2.gz	DNFYDLZMOGVWJG-SDBXPKJASA-N	-2	3	347.393	0.328	10	0		ECAEHL
CCc1ccc([O-])c(C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)[O-])c1	ZINC000263386838	436963247	/nfs/dbraw/zinc/96/32/47/436963247.db2.gz	CTRRURYDARBZCL-LBPRGKRZSA-N	-2	3	330.344	0.964	10	0		ECAEHL
CCC[C@@H](NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000262962294	245271724	/nfs/dbraw/zinc/27/17/24/245271724.db2.gz	OJLCLNHLHWFKIB-BDJLRTHQSA-N	-2	3	333.344	0.724	10	0		ECAEHL
Cc1nc(S(=O)(=O)[N-][C@H](C)c2nc(C(=O)[O-])cs2)cn1C	ZINC000090941186	545721815	/nfs/dbraw/zinc/72/18/15/545721815.db2.gz	QLQRMCFDCWEKMC-ZCFIWIBFSA-N	-2	3	330.391	0.923	10	0		ECAEHL
O=P([O-])([O-])C(Br)(Br)P(=O)([O-])[O-]	ZINC000059479169	436631749	/nfs/dbraw/zinc/63/17/49/436631749.db2.gz	DQVOQQVHRYLBHX-UHFFFAOYSA-N	-4	3	333.793	0.743	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NC1(C(=O)[O-])CCC1	ZINC000263148651	436952921	/nfs/dbraw/zinc/95/29/21/436952921.db2.gz	LHJIQYVICLOTGK-MRVPVSSYSA-N	-2	3	345.377	0.082	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C)CCC(=O)[O-]	ZINC000262214960	165309787	/nfs/dbraw/zinc/30/97/87/165309787.db2.gz	YSDQTXBKGAFRHY-APPZFPTMSA-N	-2	3	347.393	0.328	10	0		ECAEHL
CC[C@](C)(NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262385542	165341926	/nfs/dbraw/zinc/34/19/26/165341926.db2.gz	DNFYDLZMOGVWJG-OQPBUACISA-N	-2	3	347.393	0.328	10	0		ECAEHL
O=C([O-])CCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000226860051	304047336	/nfs/dbraw/zinc/04/73/36/304047336.db2.gz	ZAFRJOBSYJNFID-UHFFFAOYSA-N	-2	3	340.357	0.494	10	0		ECAEHL
COc1ccccc1C(=O)[N-]n1c(C)c2c(cc1=O)[n-]n(C)c2=O	ZINC000072446071	216236372	/nfs/dbraw/zinc/23/63/72/216236372.db2.gz	WPGQBSMNMQMMIQ-UHFFFAOYSA-N	-2	3	328.328	0.729	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000262146185	165298706	/nfs/dbraw/zinc/29/87/06/165298706.db2.gz	LKGFZOZFWCQXJH-WPRPVWTQSA-N	-2	3	347.393	0.184	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(CC(=O)[O-])C(C)C	ZINC000262367678	165338392	/nfs/dbraw/zinc/33/83/92/165338392.db2.gz	AGJZFZIBQWNHST-VIFPVBQESA-N	-2	3	347.393	0.280	10	0		ECAEHL
CC[C@@](C)(NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000262385539	165341847	/nfs/dbraw/zinc/34/18/47/165341847.db2.gz	DNFYDLZMOGVWJG-ISVAXAHUSA-N	-2	3	347.393	0.328	10	0		ECAEHL
CCN1CCC[C@@H](NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)C1	ZINC000174645991	263150931	/nfs/dbraw/zinc/15/09/31/263150931.db2.gz	JJFFQRFVOHKEFB-SNVBAGLBSA-N	-2	3	331.376	0.546	10	0		ECAEHL
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-]	ZINC000036960364	213126871	/nfs/dbraw/zinc/12/68/71/213126871.db2.gz	UXOSYDGSZVWZHR-CLZZGJSISA-N	-2	3	344.208	0.623	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000262146184	165297687	/nfs/dbraw/zinc/29/76/87/165297687.db2.gz	LKGFZOZFWCQXJH-WCBMZHEXSA-N	-2	3	347.393	0.184	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@@H](C)CC(=O)[O-]	ZINC000262212469	165307976	/nfs/dbraw/zinc/30/79/76/165307976.db2.gz	XKMZCNJHGMGJOO-CBAPKCEASA-N	-2	3	347.393	0.185	10	0		ECAEHL
CCN(CCC(=O)[O-])C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000262598273	165366189	/nfs/dbraw/zinc/36/61/89/165366189.db2.gz	JHMUDIFWLSTMRV-VIFPVBQESA-N	-2	3	347.393	0.281	10	0		ECAEHL
CCC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000262144986	436910601	/nfs/dbraw/zinc/91/06/01/436910601.db2.gz	MODCXCCOWGVYGI-DTWKUNHWSA-N	-2	3	334.419	0.784	10	0		ECAEHL
CCC[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000262376710	436928876	/nfs/dbraw/zinc/92/88/76/436928876.db2.gz	NJKYEWSOUJNNDM-MWLCHTKSSA-N	-2	3	346.380	0.862	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000262972747	436945857	/nfs/dbraw/zinc/94/58/57/436945857.db2.gz	LXIFLLRYNWBRIF-VXNVDRBHSA-N	-2	3	347.393	0.137	10	0		ECAEHL
CCC[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)C(=O)[O-]	ZINC000262154462	165300230	/nfs/dbraw/zinc/30/02/30/165300230.db2.gz	OASJCZBWLYUHOO-GFCCVEGCSA-N	-2	3	333.344	0.449	10	0		ECAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCC(C)(C)C(=O)[O-]	ZINC000262178567	263176899	/nfs/dbraw/zinc/17/68/99/263176899.db2.gz	FDAAGNLUPMYNJK-QMMMGPOBSA-N	-2	3	347.393	0.185	10	0		ECAEHL
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cn1	ZINC000263306337	290788882	/nfs/dbraw/zinc/78/88/82/290788882.db2.gz	HHZSMHVBZRKWCR-ONGXEEELSA-N	-2	3	341.389	0.315	10	0		ECAEHL
CCC[C@H](NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)[O-]	ZINC000262962301	245272991	/nfs/dbraw/zinc/27/29/91/245272991.db2.gz	OJLCLNHLHWFKIB-MEDUHNTESA-N	-2	3	333.344	0.724	10	0		ECAEHL
CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000036835840	436258376	/nfs/dbraw/zinc/25/83/76/436258376.db2.gz	HIZFJKHHQQWUQR-VIFPVBQESA-N	-2	3	334.419	0.786	10	0		ECAEHL
CCC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000262376707	436928816	/nfs/dbraw/zinc/92/88/16/436928816.db2.gz	NJKYEWSOUJNNDM-KOLCDFICSA-N	-2	3	346.380	0.862	10	0		ECAEHL