smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cc(F)ccc1CS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000568889436	378443542	/nfs/dbraw/zinc/44/35/42/378443542.db2.gz	UFOAOKNMXIXDDN-UHFFFAOYSA-N	-2	0	330.293	-0.002	20	30		EBEDRL
N#Cc1cc(F)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(F)c1	ZINC000548536892	379740849	/nfs/dbraw/zinc/74/08/49/379740849.db2.gz	ZEQSNPPMJWQFSR-UHFFFAOYSA-N	-2	0	334.256	-0.004	20	30		EBEDRL
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)CCCC1	ZINC000833964793	584021573	/nfs/dbraw/zinc/02/15/73/584021573.db2.gz	QBMQTRPRJNZNFI-SNVBAGLBSA-N	-2	0	345.377	-0.105	20	30		EBEDRL
CSc1ncc(C#N)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001228681748	811993191	/nfs/dbraw/zinc/99/31/91/811993191.db2.gz	OEPSAVNLQHUFJT-HTRCEHHLSA-N	-2	0	341.301	-0.488	20	30		EBEDRL
N#Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228773600	811996922	/nfs/dbraw/zinc/99/69/22/811996922.db2.gz	KMZBJENXENEFOD-MRVPVSSYSA-N	-2	0	332.161	-0.158	20	30		EBEDRL
N#Cc1ccc2ncnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1	ZINC001229108901	812012978	/nfs/dbraw/zinc/01/29/78/812012978.db2.gz	XJBAWTMFHWQESM-BXKDBHETSA-N	-2	0	345.267	-0.057	20	30		EBEDRL
C=C[C@@H]1C[C@]1([N-]c1nnc(Cl)nn1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170742834	832523683	/nfs/dbraw/zinc/52/36/83/832523683.db2.gz	RJIHPQDEVLVWKM-KSBSHMNSSA-N	-2	0	344.784	-0.115	20	30		EBEDRL
N#Cc1cccc(C(=O)COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001210381660	837276749	/nfs/dbraw/zinc/27/67/49/837276749.db2.gz	MSQMKNLZSAXKFG-MFKMUULPSA-N	-2	0	335.268	-0.179	20	30		EBEDRL
C[C@](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)(C(=O)[O-])c1ccccc1	ZINC001589098441	955994156	/nfs/dbraw/zinc/99/41/56/955994156.db2.gz	PTFRTMOEEOTUHS-MRXNPFEDSA-N	-2	0	342.311	-0.063	20	30		EBEDRL
N#Cc1cn(CCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c(=O)[n-]c1=O	ZINC001594633201	956357417	/nfs/dbraw/zinc/35/74/17/956357417.db2.gz	QQEIHCBKVMFXDQ-JTQLQIEISA-N	-2	0	334.332	-0.076	20	30		EBEDRL
COC[C@]1(C(=O)[O-])CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CCO1	ZINC001593976827	970167784	/nfs/dbraw/zinc/16/77/84/970167784.db2.gz	GITWSONPGYWKLA-HNNXBMFYSA-N	-2	0	335.316	-0.091	20	30		EBEDRL
C=CCS(=O)(=O)[N-]C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588879164	984456868	/nfs/dbraw/zinc/45/68/68/984456868.db2.gz	UGESPZQQKVKZSM-QMMMGPOBSA-N	-2	0	336.366	-0.014	20	30		EBEDRL
CC(C)(CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C(=O)[O-]	ZINC001590716050	990473200	/nfs/dbraw/zinc/47/32/00/990473200.db2.gz	JMSOQXWLYGOWJP-UHFFFAOYSA-N	-2	0	335.320	-0.502	20	30		EBEDRL
C[C@](CNS(=O)(=O)c1cncc(C#N)c1)(CC(=O)[O-])C(=O)[O-]	ZINC000583176227	381106774	/nfs/dbraw/zinc/10/67/74/381106774.db2.gz	KOGNBCVCZZSZNB-GFCCVEGCSA-N	-2	0	327.318	-0.203	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)o1	ZINC000287479921	154944965	/nfs/dbraw/zinc/94/49/65/154944965.db2.gz	JZQYNULZVNWWCG-BDAKNGLRSA-N	-2	0	328.302	-0.053	20	30		EBEDRL
N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)COCC(=O)[O-])c1	ZINC000863964328	584381961	/nfs/dbraw/zinc/38/19/61/584381961.db2.gz	HWMONNNVHTYEAR-UHFFFAOYSA-N	-2	0	330.293	-0.255	20	30		EBEDRL
N#Cc1cc(F)c(=O)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226008795	811842423	/nfs/dbraw/zinc/84/24/23/811842423.db2.gz	MLULDKBQSFSGOL-YLWLKBPMSA-N	-3	0	328.208	-0.760	20	30		EBEDRL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226330746	811859315	/nfs/dbraw/zinc/85/93/15/811859315.db2.gz	AZJOEHJZCGYBPP-SSDOTTSWSA-N	-2	0	335.294	-0.072	20	30		EBEDRL
N#Cc1c([O-])ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C#N	ZINC001227623205	811930787	/nfs/dbraw/zinc/93/07/87/811930787.db2.gz	PRXCEMALIULICK-SREIQFSDSA-N	-3	0	334.240	-0.423	20	30		EBEDRL
N#Cc1ccc2ncnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1	ZINC001229108902	812012844	/nfs/dbraw/zinc/01/28/44/812012844.db2.gz	XJBAWTMFHWQESM-CABZTGNLSA-N	-2	0	345.267	-0.057	20	30		EBEDRL
N#Cc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001229599597	812041690	/nfs/dbraw/zinc/04/16/90/812041690.db2.gz	HYDVVWSBJPDTEL-HQJQHLMTSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#Cc1cccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncnc12	ZINC001231037719	812267580	/nfs/dbraw/zinc/26/75/80/812267580.db2.gz	TYYMNOUCTGRJLH-JOYOIKCWSA-N	-2	0	345.267	-0.057	20	30		EBEDRL
CCOc1nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(C#N)s1	ZINC001231092254	812272914	/nfs/dbraw/zinc/27/29/14/812272914.db2.gz	DLSFGVDGWIANGE-RXMQYKEDSA-N	-2	0	338.234	-0.211	20	30		EBEDRL
COc1cc(/C=N/O)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001233803840	812345843	/nfs/dbraw/zinc/34/58/43/812345843.db2.gz	SNZKCIOBNWKMMS-AIRKDAECSA-N	-2	0	341.272	-0.055	20	30		EBEDRL
C[C@H]1[C@H](NC(=O)c2ccc(C#N)cc2[O-])C(=O)N1S(=O)(=O)[O-]	ZINC001195763618	835286611	/nfs/dbraw/zinc/28/66/11/835286611.db2.gz	APZCLXLRMMATBW-WKEGUHRASA-N	-2	0	325.302	-0.604	20	30		EBEDRL
N#Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C2)c(=O)[n-]c1=O	ZINC001594631651	956343836	/nfs/dbraw/zinc/34/38/36/956343836.db2.gz	KNQVIAHIAKZTFI-DTWKUNHWSA-N	-2	0	332.316	-0.295	20	30		EBEDRL
N#Cc1cn(C2CN(C(=O)NCCCCC(=O)[O-])C2)c(=O)[n-]c1=O	ZINC001594632131	956349221	/nfs/dbraw/zinc/34/92/21/956349221.db2.gz	VKTAWLINWMVDQO-UHFFFAOYSA-N	-2	0	335.320	-0.358	20	30		EBEDRL
N#Cc1cn(CCNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c(=O)[n-]c1=O	ZINC001594633120	956356219	/nfs/dbraw/zinc/35/62/19/956356219.db2.gz	OIYVFJIIOOIKLN-NSHDSACASA-N	-2	0	334.332	-0.172	20	30		EBEDRL
N#CCNC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001605585813	973877591	/nfs/dbraw/zinc/87/75/91/973877591.db2.gz	ISFIXRFRWSLMJQ-CBAPKCEASA-N	-2	0	336.270	-0.778	20	30		EBEDRL
N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000275094706	379325477	/nfs/dbraw/zinc/32/54/77/379325477.db2.gz	PPKFBDOCXLSJTK-VIFPVBQESA-N	-2	0	329.309	-0.306	20	30		EBEDRL
C#CCO[N-]C(=O)CN(CC(=O)[N-]OCC#C)Cc1ccccc1	ZINC000812782071	583696521	/nfs/dbraw/zinc/69/65/21/583696521.db2.gz	KNJNZBJBLPOTEA-UHFFFAOYSA-N	-2	0	329.356	-0.149	20	30		EBEDRL
CSc1ncc(C#N)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001228681750	811993365	/nfs/dbraw/zinc/99/33/65/811993365.db2.gz	OEPSAVNLQHUFJT-POYBYMJQSA-N	-2	0	341.301	-0.488	20	30		EBEDRL
N#Cc1cnn2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc12	ZINC001230960580	812260650	/nfs/dbraw/zinc/26/06/50/812260650.db2.gz	KBXVLVQWNCTTKQ-XVKPBYJWSA-N	-2	0	334.244	-0.957	20	30		EBEDRL
N#Cc1cn(C2CN(C(=O)c3ccc(C(=O)[O-])cn3)C2)c(=O)[n-]c1=O	ZINC001594632132	956348893	/nfs/dbraw/zinc/34/88/93/956348893.db2.gz	VLEINDSJZMODJJ-UHFFFAOYSA-N	-2	0	341.283	-0.389	20	30		EBEDRL
N#Cc1cn(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(=O)[n-]c1=O	ZINC001574494100	961725469	/nfs/dbraw/zinc/72/54/69/961725469.db2.gz	WVOYOIJCDFKSIH-SNVBAGLBSA-N	-2	0	334.332	-0.076	20	30		EBEDRL
N#Cc1cn(CCNC(=O)c2ccccc2C(=O)[O-])c(=O)[n-]c1=O	ZINC001571179802	962141390	/nfs/dbraw/zinc/14/13/90/962141390.db2.gz	SEBVIUOKSFEXNT-UHFFFAOYSA-N	-2	0	328.284	-0.051	20	30		EBEDRL
C=CCOC[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)OC	ZINC001573369188	963093815	/nfs/dbraw/zinc/09/38/15/963093815.db2.gz	PIQKQIGYGRGAFG-SNVBAGLBSA-N	-2	0	335.378	-0.095	20	30		EBEDRL
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000515304200	381911052	/nfs/dbraw/zinc/91/10/52/381911052.db2.gz	ULVOQSKXVPALAV-SKDRFNHKSA-N	-2	0	333.366	-0.426	20	30		EBEDRL
CCO[N-]C(=O)CNc1ccc(C#N)c(NCC(=O)[N-]OCC)n1	ZINC000845718627	584115200	/nfs/dbraw/zinc/11/52/00/584115200.db2.gz	SWVQMXAZBCRWDX-UHFFFAOYSA-N	-2	0	336.352	-0.088	20	30		EBEDRL
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)COCC(=O)[O-]	ZINC000863958658	584381273	/nfs/dbraw/zinc/38/12/73/584381273.db2.gz	FXCJYCBBZAKBCK-UHFFFAOYSA-N	-2	0	328.302	-0.527	20	30		EBEDRL
CNC(=O)C(C#N)=C([O-])c1nnn(C2CCN(C(=O)[O-])CC2)c1C	ZINC000739743085	602212602	/nfs/dbraw/zinc/21/26/02/602212602.db2.gz	MGKKYAMKJCDBSX-SNVBAGLBSA-N	-2	0	334.336	-0.030	20	30		EBEDRL
N#Cc1cc(F)c(=O)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226008793	811842355	/nfs/dbraw/zinc/84/23/55/811842355.db2.gz	MLULDKBQSFSGOL-XRGYYRRGSA-N	-3	0	328.208	-0.760	20	30		EBEDRL
N#Cc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001229599599	812042552	/nfs/dbraw/zinc/04/25/52/812042552.db2.gz	HYDVVWSBJPDTEL-WRWORJQWSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#Cc1cccc(C(=O)COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001210381661	837276186	/nfs/dbraw/zinc/27/61/86/837276186.db2.gz	MSQMKNLZSAXKFG-ZWNOBZJWSA-N	-2	0	335.268	-0.179	20	30		EBEDRL
N#Cc1cn(CCNC(=O)[C@H](C(=O)[O-])C2CCCC2)c(=O)[n-]c1=O	ZINC001594633119	956356984	/nfs/dbraw/zinc/35/69/84/956356984.db2.gz	OIYVFJIIOOIKLN-LLVKDONJSA-N	-2	0	334.332	-0.172	20	30		EBEDRL
N#Cc1cn(CC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c(=O)[n-]c1=O	ZINC001574492805	961713003	/nfs/dbraw/zinc/71/30/03/961713003.db2.gz	BJWHHDOAXIGTBK-GFCCVEGCSA-N	-2	0	346.274	-0.098	20	30		EBEDRL
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000569248992	380637601	/nfs/dbraw/zinc/63/76/01/380637601.db2.gz	PYCSUJQOQQDXMW-VWYCJHECSA-N	-2	0	347.393	-0.180	20	30		EBEDRL
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000579244372	380979556	/nfs/dbraw/zinc/97/95/56/380979556.db2.gz	CUENVDUYXOPMKB-BBBLOLIVSA-N	-2	0	333.366	-0.570	20	30		EBEDRL
C=CCN=c1[n-]nc(S(=O)(=O)CC([O-])=Nc2cc(C)on2)s1	ZINC000352747009	382027930	/nfs/dbraw/zinc/02/79/30/382027930.db2.gz	UFRZQRVPIMCNCE-UHFFFAOYSA-N	-2	0	343.390	-0.311	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)o1	ZINC000287479928	154945503	/nfs/dbraw/zinc/94/55/03/154945503.db2.gz	JZQYNULZVNWWCG-IUCAKERBSA-N	-2	0	328.302	-0.053	20	30		EBEDRL
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])cc1	ZINC000740316403	602676006	/nfs/dbraw/zinc/67/60/06/602676006.db2.gz	WCRFJAOEYZKXHW-UHFFFAOYSA-N	-2	0	341.345	-0.212	20	30		EBEDRL
N#Cc1ccc2[nH]c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2c1	ZINC001227220032	811911042	/nfs/dbraw/zinc/91/10/42/811911042.db2.gz	OVQSRHWWLLPIQE-WRWORJQWSA-N	-2	0	333.256	-0.124	20	30		EBEDRL
CSc1ncc(C#N)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001228681752	811993254	/nfs/dbraw/zinc/99/32/54/811993254.db2.gz	OEPSAVNLQHUFJT-SVRRBLITSA-N	-2	0	341.301	-0.488	20	30		EBEDRL
C#CC(C#C)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230144362	812080600	/nfs/dbraw/zinc/08/06/00/812080600.db2.gz	NLBAZNOJBFIOEY-UHFFFAOYSA-N	-2	0	332.311	-0.101	20	30		EBEDRL
C[C@]1(C#N)CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1	ZINC001575523485	949291086	/nfs/dbraw/zinc/29/10/86/949291086.db2.gz	BLBOSDMUCVAPMK-AWEZNQCLSA-N	-2	0	341.335	-0.271	20	30		EBEDRL
C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C(=O)[O-]	ZINC001589336822	953999818	/nfs/dbraw/zinc/99/98/18/953999818.db2.gz	FVHPRIVBQOOLJN-MWLCHTKSSA-N	-2	0	334.332	-0.220	20	30		EBEDRL
N#Cc1cn(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(=O)[n-]c1=O	ZINC001594633008	956354940	/nfs/dbraw/zinc/35/49/40/956354940.db2.gz	JYWPUQVZVLKKEI-NWDGAFQWSA-N	-2	0	346.343	-0.220	20	30		EBEDRL
N#Cc1cn(CC(=O)N(CC(=O)[O-])c2ccccc2)c(=O)[n-]c1=O	ZINC001571179197	962134394	/nfs/dbraw/zinc/13/43/94/962134394.db2.gz	IVJJNKUPQKLKFP-UHFFFAOYSA-N	-2	0	328.284	-0.062	20	30		EBEDRL
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000515304198	381911132	/nfs/dbraw/zinc/91/11/32/381911132.db2.gz	ULVOQSKXVPALAV-CABZTGNLSA-N	-2	0	333.366	-0.426	20	30		EBEDRL
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])c1	ZINC000740320094	602676707	/nfs/dbraw/zinc/67/67/07/602676707.db2.gz	GEGKUXOQFDHACI-UHFFFAOYSA-N	-2	0	341.345	-0.212	20	30		EBEDRL
N#Cc1cnn2ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc12	ZINC001230960513	812262032	/nfs/dbraw/zinc/26/20/32/812262032.db2.gz	KBXVLVQWNCTTKQ-XCBNKYQSSA-N	-2	0	334.244	-0.957	20	30		EBEDRL
CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001589596351	949149411	/nfs/dbraw/zinc/14/94/11/949149411.db2.gz	LGAJARKNGARFQA-OAHLLOKOSA-N	-2	0	334.332	-0.076	20	30		EBEDRL
C[C@@](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)(C(=O)[O-])c1ccccc1	ZINC001589098435	955993924	/nfs/dbraw/zinc/99/39/24/955993924.db2.gz	PTFRTMOEEOTUHS-INIZCTEOSA-N	-2	0	342.311	-0.063	20	30		EBEDRL
CON=CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001604662216	973841932	/nfs/dbraw/zinc/84/19/32/973841932.db2.gz	XKOXVOYGMCSPQY-SVRRBLITSA-N	-2	0	325.243	-0.259	20	30		EBEDRL
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000566312478	380462968	/nfs/dbraw/zinc/46/29/68/380462968.db2.gz	UIANDZLSFOUOPP-MFKMUULPSA-N	-2	0	347.393	-0.036	20	30		EBEDRL
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000831092120	583976284	/nfs/dbraw/zinc/97/62/84/583976284.db2.gz	QAYPKOZPRWXOMZ-QMMMGPOBSA-N	-2	0	344.287	-0.236	20	30		EBEDRL
N#CCCCS(=O)(=O)[N-]C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000833965826	584021666	/nfs/dbraw/zinc/02/16/66/584021666.db2.gz	TVPRJOOILVJJML-JTQLQIEISA-N	-2	0	333.366	-0.105	20	30		EBEDRL
N#Cc1ccc2[nH]c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2c1	ZINC001227220031	811911400	/nfs/dbraw/zinc/91/14/00/811911400.db2.gz	OVQSRHWWLLPIQE-RDDDGLTNSA-N	-2	0	333.256	-0.124	20	30		EBEDRL
N#Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c([N+](=O)[O-])c1	ZINC001227289498	811914681	/nfs/dbraw/zinc/91/46/81/811914681.db2.gz	OYIKEHWXKUCKEC-MRVPVSSYSA-N	-2	0	332.161	-0.158	20	30		EBEDRL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c[n-]c(C(=O)OC)cc1=O	ZINC001227785049	811943001	/nfs/dbraw/zinc/94/30/01/811943001.db2.gz	AUVJHZQTFWPBQZ-VIFPVBQESA-N	-2	0	347.345	-0.001	20	30		EBEDRL
N#Cc1cnn2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc12	ZINC001230960512	812261690	/nfs/dbraw/zinc/26/16/90/812261690.db2.gz	KBXVLVQWNCTTKQ-OIBJUYFYSA-N	-2	0	334.244	-0.957	20	30		EBEDRL
N#Cc1cn(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(=O)[n-]c1=O	ZINC001601129172	970938776	/nfs/dbraw/zinc/93/87/76/970938776.db2.gz	PTRYYJVFWOCMLN-GFCCVEGCSA-N	-2	0	342.311	-0.367	20	30		EBEDRL
N#Cc1cn(C2CN(C(=O)NCC3(C(=O)[O-])CCC3)C2)c(=O)[n-]c1=O	ZINC001594631578	956342629	/nfs/dbraw/zinc/34/26/29/956342629.db2.gz	JDDYOGTUXJLLRZ-UHFFFAOYSA-N	-2	0	347.331	-0.358	20	30		EBEDRL
N#Cc1cn(C2CN(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2)c(=O)[n-]c1=O	ZINC001574493801	961723087	/nfs/dbraw/zinc/72/30/87/961723087.db2.gz	RKQJZTVKDBRGMF-XWEPSHTISA-N	-2	0	333.304	-0.750	20	30		EBEDRL
C[C@](CNS(=O)(=O)c1ccc(C#N)nc1)(CC(=O)[O-])C(=O)[O-]	ZINC000548262364	379737114	/nfs/dbraw/zinc/73/71/14/379737114.db2.gz	PPZVSTNDALTFDK-GFCCVEGCSA-N	-2	0	327.318	-0.203	20	30		EBEDRL
C=CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000548561997	380216177	/nfs/dbraw/zinc/21/61/77/380216177.db2.gz	GAPJLRRYFIEUCK-UHFFFAOYSA-N	-2	0	340.317	-0.303	20	30		EBEDRL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226330749	811859416	/nfs/dbraw/zinc/85/94/16/811859416.db2.gz	AZJOEHJZCGYBPP-ZETCQYMHSA-N	-2	0	335.294	-0.072	20	30		EBEDRL
N#Cc1ccc2ncnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1	ZINC001229108986	812012724	/nfs/dbraw/zinc/01/27/24/812012724.db2.gz	XJBAWTMFHWQESM-SKDRFNHKSA-N	-2	0	345.267	-0.057	20	30		EBEDRL
COc1cc(/C=N/O)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001233803841	812346870	/nfs/dbraw/zinc/34/68/70/812346870.db2.gz	SNZKCIOBNWKMMS-DGOWPHIVSA-N	-2	0	341.272	-0.055	20	30		EBEDRL
N#Cc1cn(CCC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])c(=O)[n-]c1=O	ZINC001571200045	962355925	/nfs/dbraw/zinc/35/59/25/962355925.db2.gz	FHIKNHSVCNFYOJ-BMIGLBTASA-N	-2	0	332.316	-0.324	20	30		EBEDRL
O=c1[n-][nH]c(=O)n1N=Cc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814231578	583705062	/nfs/dbraw/zinc/70/50/62/583705062.db2.gz	JMYLWUPHSLQNTM-UHFFFAOYSA-N	-2	0	330.264	-0.544	20	30		EBEDRL
N#Cc1cccc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])c1	ZINC000740322691	602676001	/nfs/dbraw/zinc/67/60/01/602676001.db2.gz	FUAGVLCQMKSKDG-UHFFFAOYSA-N	-2	0	327.318	-0.353	20	30		EBEDRL
N#Cc1cccc(OCCOC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001224311952	811755600	/nfs/dbraw/zinc/75/56/00/811755600.db2.gz	LEAXSUIPNQFLCY-LLVKDONJSA-N	-2	0	331.217	-0.050	20	30		EBEDRL
N#Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001227289543	811914604	/nfs/dbraw/zinc/91/46/04/811914604.db2.gz	QKRXABPMVOGLBG-CPCISQLKSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#Cc1cccc2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncnc12	ZINC001231037720	812267464	/nfs/dbraw/zinc/26/74/64/812267464.db2.gz	TYYMNOUCTGRJLH-SKDRFNHKSA-N	-2	0	345.267	-0.057	20	30		EBEDRL
C[C@H]1[C@H](NC(=O)CCC(=O)C2=CC=C[CH]2)C(=O)N1S(=O)(=O)[O-]	ZINC001184244385	833324726	/nfs/dbraw/zinc/32/47/26/833324726.db2.gz	QGYOYOFNLDXWDS-UFBFGSQYSA-N	-2	0	327.338	-0.446	20	30		EBEDRL
C=CCOC[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	ZINC001588867219	984430924	/nfs/dbraw/zinc/43/09/24/984430924.db2.gz	WKHQZBAYWAKMJY-VIFPVBQESA-N	-2	0	326.396	-0.262	20	30		EBEDRL
N#Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000739101424	600202676	/nfs/dbraw/zinc/20/26/76/600202676.db2.gz	HPNNGYPLVMXTSC-UHFFFAOYSA-N	-2	0	338.345	-0.276	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])cc1	ZINC000740321891	602675993	/nfs/dbraw/zinc/67/59/93/602675993.db2.gz	VSQFHDUJDLWQRR-UHFFFAOYSA-N	-2	0	327.318	-0.353	20	30		EBEDRL
COC(=O)c1cc(C#N)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001226307632	811859740	/nfs/dbraw/zinc/85/97/40/811859740.db2.gz	NNBIITBJHKKTSC-SECBINFHSA-N	-2	0	345.200	-0.280	20	30		EBEDRL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227071375	811902639	/nfs/dbraw/zinc/90/26/39/811902639.db2.gz	XBGXKEILNFASSY-ZETCQYMHSA-N	-2	0	330.322	-0.104	20	30		EBEDRL
CC[C@]1(C(=O)[O-])CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001589596350	949149822	/nfs/dbraw/zinc/14/98/22/949149822.db2.gz	LGAJARKNGARFQA-HNNXBMFYSA-N	-2	0	334.332	-0.076	20	30		EBEDRL
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001589268841	953391605	/nfs/dbraw/zinc/39/16/05/953391605.db2.gz	MBWYWOCLKPOQAD-VHSXEESVSA-N	-2	0	334.332	-0.220	20	30		EBEDRL
Cn1c(=O)[n-]c(N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c(C#N)c1=O	ZINC001571203031	962385052	/nfs/dbraw/zinc/38/50/52/962385052.db2.gz	UIWPTKUUFSHALB-LLVKDONJSA-N	-2	0	332.238	-0.211	20	30		EBEDRL
C=CCOC[C@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(=O)[O-]	ZINC001573369718	963101565	/nfs/dbraw/zinc/10/15/65/963101565.db2.gz	YEHQJVKOMPQGAD-NSHDSACASA-N	-2	0	348.315	-0.348	20	30		EBEDRL
CON=CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001604662215	973841710	/nfs/dbraw/zinc/84/17/10/973841710.db2.gz	XKOXVOYGMCSPQY-POYBYMJQSA-N	-2	0	325.243	-0.259	20	30		EBEDRL
N#CCNC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001605585816	973877577	/nfs/dbraw/zinc/87/75/77/973877577.db2.gz	ISFIXRFRWSLMJQ-VXNVDRBHSA-N	-2	0	336.270	-0.778	20	30		EBEDRL
CN(C(=O)Cn1c(=O)[n-]cc(C#N)c1=O)c1ccccc1C(=O)[O-]	ZINC001598039694	990267318	/nfs/dbraw/zinc/26/73/18/990267318.db2.gz	AUYXKGRPTZLIIO-UHFFFAOYSA-N	-2	0	328.284	-0.231	20	30		EBEDRL
CN(Cc1ccc(C(=O)[O-])cn1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001598516814	992625067	/nfs/dbraw/zinc/62/50/67/992625067.db2.gz	NFCDPTUOPBRGDY-UHFFFAOYSA-N	-2	0	343.299	-0.428	20	30		EBEDRL
CN1C(=O)CN([N-]S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1=O	ZINC001598552317	993017866	/nfs/dbraw/zinc/01/78/66/993017866.db2.gz	JIOVDFRIESWYQH-UHFFFAOYSA-N	-2	0	338.301	-0.656	20	30		EBEDRL
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000566312477	380463001	/nfs/dbraw/zinc/46/30/01/380463001.db2.gz	UIANDZLSFOUOPP-GXFFZTMASA-N	-2	0	347.393	-0.036	20	30		EBEDRL
N#Cc1cc(F)c(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])c(F)c1	ZINC000583302221	381124073	/nfs/dbraw/zinc/12/40/73/381124073.db2.gz	JGXQTDJEIGOMOJ-UHFFFAOYSA-N	-2	0	347.299	-0.294	20	30		EBEDRL
C=C1[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@H]1C(=O)[N-]OC[C@@H]1CCOC1	ZINC000907665611	650088247	/nfs/dbraw/zinc/08/82/47/650088247.db2.gz	INYBWBCHHWHVLU-MQYQWHSLSA-N	-2	0	340.376	-0.043	20	30		EBEDRL
N#Cc1ccc2[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2c1	ZINC001227218595	811911138	/nfs/dbraw/zinc/91/11/38/811911138.db2.gz	HABQKCYXOAPYBR-SECBINFHSA-N	-2	0	327.189	-0.190	20	30		EBEDRL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228675048	811992805	/nfs/dbraw/zinc/99/28/05/811992805.db2.gz	RDXJMIJLBZSUEB-MRVPVSSYSA-N	-2	0	344.349	-0.093	20	30		EBEDRL
N#Cc1ccc2ncnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1	ZINC001229108972	812012730	/nfs/dbraw/zinc/01/27/30/812012730.db2.gz	XJBAWTMFHWQESM-JOYOIKCWSA-N	-2	0	345.267	-0.057	20	30		EBEDRL
N#Cc1cccc2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncnc12	ZINC001231037718	812267571	/nfs/dbraw/zinc/26/75/71/812267571.db2.gz	TYYMNOUCTGRJLH-CABZTGNLSA-N	-2	0	345.267	-0.057	20	30		EBEDRL
N#Cc1cc(-n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)ccc1[O-]	ZINC001210526687	837296551	/nfs/dbraw/zinc/29/65/51/837296551.db2.gz	COFHIBXPXGSEQA-UHFFFAOYSA-N	-2	0	338.305	-0.725	20	30		EBEDRL
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000593257428	377879596	/nfs/dbraw/zinc/87/95/96/377879596.db2.gz	YUAMWBGCPYKVRO-BXKDBHETSA-N	-2	0	335.382	-0.132	20	30		EBEDRL
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000575992870	380752901	/nfs/dbraw/zinc/75/29/01/380752901.db2.gz	MYEVGUUNNFSIQM-OPRDCNLKSA-N	-2	0	333.366	-0.428	20	30		EBEDRL
COCCN(CCC#N)S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000576470346	380772790	/nfs/dbraw/zinc/77/27/90/380772790.db2.gz	WWTPRMWSKDGJTL-VIFPVBQESA-N	-2	0	337.354	-0.999	20	30		EBEDRL
N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000547881769	381658575	/nfs/dbraw/zinc/65/85/75/381658575.db2.gz	MJSVLUBZJKAQGZ-QMMMGPOBSA-N	-2	0	331.737	-0.181	20	30		EBEDRL
O=C([O-])C[C@@H](C(=O)Oc1ccccc1C(=O)NO)[C@@H](O)C(=O)[O-]	ZINC001227016219	811896425	/nfs/dbraw/zinc/89/64/25/811896425.db2.gz	ZPXRVYVVXJLYNU-GMSGAONNSA-N	-2	0	327.245	-0.753	20	30		EBEDRL
N#Cc1ccc([N+](=O)[O-])c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001229187197	812019041	/nfs/dbraw/zinc/01/90/41/812019041.db2.gz	WSTDBHRWDHDHBD-MRVPVSSYSA-N	-2	0	332.161	-0.158	20	30		EBEDRL
N#Cc1cnn2ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc12	ZINC001230960511	812260606	/nfs/dbraw/zinc/26/06/06/812260606.db2.gz	KBXVLVQWNCTTKQ-GMSGAONNSA-N	-2	0	334.244	-0.957	20	30		EBEDRL
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001589268842	953390875	/nfs/dbraw/zinc/39/08/75/953390875.db2.gz	MBWYWOCLKPOQAD-ZJUUUORDSA-N	-2	0	334.332	-0.220	20	30		EBEDRL
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000593257433	377879985	/nfs/dbraw/zinc/87/99/85/377879985.db2.gz	YUAMWBGCPYKVRO-SKDRFNHKSA-N	-2	0	335.382	-0.132	20	30		EBEDRL
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-]	ZINC000740105670	603368654	/nfs/dbraw/zinc/36/86/54/603368654.db2.gz	LFJDZBNIXKOKTH-UHFFFAOYSA-N	-2	0	341.345	-0.044	20	30		EBEDRL
C=C1[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@@H]1C(=O)[N-]OC[C@H]1CCOC1	ZINC000907665610	650088113	/nfs/dbraw/zinc/08/81/13/650088113.db2.gz	INYBWBCHHWHVLU-LVEBTZEWSA-N	-2	0	340.376	-0.043	20	30		EBEDRL
N#Cc1ccc2nc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cn2c1	ZINC001224041785	811742810	/nfs/dbraw/zinc/74/28/10/811742810.db2.gz	LEMKABXDHYXDTC-ZWNOBZJWSA-N	-2	0	347.283	-0.214	20	30		EBEDRL
N#Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001227289547	811914140	/nfs/dbraw/zinc/91/41/40/811914140.db2.gz	QKRXABPMVOGLBG-HQJQHLMTSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228926034	812005810	/nfs/dbraw/zinc/00/58/10/812005810.db2.gz	DWIHBVUJCOVLDD-KWQFWETISA-N	-2	0	338.228	-0.092	20	30		EBEDRL
CCOc1nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C#N)s1	ZINC001231091952	812272717	/nfs/dbraw/zinc/27/27/17/812272717.db2.gz	XYKKZVOQLJSJPL-SVGQVSJJSA-N	-2	0	344.301	-0.145	20	30		EBEDRL
COc1cc(/C=N/O)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001233806842	812346035	/nfs/dbraw/zinc/34/60/35/812346035.db2.gz	IQKZHUBNSNSFQF-HRRMIQFSSA-N	-2	0	335.205	-0.121	20	30		EBEDRL
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001594274132	957702701	/nfs/dbraw/zinc/70/27/01/957702701.db2.gz	SKPOJXJVHMAXTR-VIFPVBQESA-N	-2	0	339.329	-0.709	20	30		EBEDRL
C#CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC001588415815	958159740	/nfs/dbraw/zinc/15/97/40/958159740.db2.gz	AKHSWUJVMMPMOE-UHFFFAOYSA-N	-2	0	340.357	-0.198	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cn1	ZINC000278745181	268206007	/nfs/dbraw/zinc/20/60/07/268206007.db2.gz	QOZNTGXCSXKVTQ-SNVBAGLBSA-N	-2	0	327.318	-0.060	20	30		EBEDRL
COCCN(CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000739820602	603170115	/nfs/dbraw/zinc/17/01/15/603170115.db2.gz	LOLDAJWZGBICDZ-UHFFFAOYSA-N	-2	0	341.345	-0.010	20	30		EBEDRL
N#Cc1ccccc1OCCOC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001222423797	811627562	/nfs/dbraw/zinc/62/75/62/811627562.db2.gz	BOCNPKXTVAGFQI-SNVBAGLBSA-N	-2	0	331.217	-0.050	20	30		EBEDRL
N#Cc1ccc2[nH]c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2c1	ZINC001227220029	811911114	/nfs/dbraw/zinc/91/11/14/811911114.db2.gz	OVQSRHWWLLPIQE-CPCISQLKSA-N	-2	0	333.256	-0.124	20	30		EBEDRL
N#Cc1c([O-])ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C#N	ZINC001227623203	811930816	/nfs/dbraw/zinc/93/08/16/811930816.db2.gz	PRXCEMALIULICK-QTTZVWFDSA-N	-3	0	334.240	-0.423	20	30		EBEDRL
N#Cc1ccc(C(=O)COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001206498315	836651581	/nfs/dbraw/zinc/65/15/81/836651581.db2.gz	MWIRACJEEYYJSX-MFKMUULPSA-N	-2	0	335.268	-0.179	20	30		EBEDRL
C=C(CNC(=O)c1cc(=O)n(C)[n-]1)CNC(=O)c1cc(=O)n(C)[n-]1	ZINC001329432976	840918529	/nfs/dbraw/zinc/91/85/29/840918529.db2.gz	YKHJKJRNWWAWDW-UHFFFAOYSA-N	-2	0	334.336	-0.719	20	30		EBEDRL
N#Cc1cn(CC(=O)NCc2ccccc2C(=O)[O-])c(=O)[n-]c1=O	ZINC001571179136	962132367	/nfs/dbraw/zinc/13/23/67/962132367.db2.gz	GXVRCICXDJARHG-UHFFFAOYSA-N	-2	0	328.284	-0.165	20	30		EBEDRL
CS(=O)(=O)[N-]c1ccc(C(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001599759916	992107035	/nfs/dbraw/zinc/10/70/35/992107035.db2.gz	NGRZYGMEIWNEGA-UHFFFAOYSA-N	-2	0	326.334	-0.106	20	30		EBEDRL
N#CCCCS(=O)(=O)[N-]C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000833965827	584021629	/nfs/dbraw/zinc/02/16/29/584021629.db2.gz	TVPRJOOILVJJML-SNVBAGLBSA-N	-2	0	333.366	-0.105	20	30		EBEDRL
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)COCC(=O)[O-])c(F)c1	ZINC000863964340	584381853	/nfs/dbraw/zinc/38/18/53/584381853.db2.gz	ISEGLAORVZRZON-UHFFFAOYSA-N	-2	0	330.293	-0.255	20	30		EBEDRL
C=C1[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@@H]1C(=O)[N-]OC[C@@H]1CCOC1	ZINC000907665613	650088240	/nfs/dbraw/zinc/08/82/40/650088240.db2.gz	INYBWBCHHWHVLU-SYQHCUMBSA-N	-2	0	340.376	-0.043	20	30		EBEDRL
N#Cc1c([O-])ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C#N	ZINC001227623197	811930626	/nfs/dbraw/zinc/93/06/26/811930626.db2.gz	PRXCEMALIULICK-INWYIAFRSA-N	-3	0	334.240	-0.423	20	30		EBEDRL
N#Cc1ccc([N+](=O)[O-])c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001229187108	812016195	/nfs/dbraw/zinc/01/61/95/812016195.db2.gz	TXYNOTRZUQHRFE-CPCISQLKSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
CCOc1nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C#N)s1	ZINC001231091954	812272954	/nfs/dbraw/zinc/27/29/54/812272954.db2.gz	XYKKZVOQLJSJPL-XRGYYRRGSA-N	-2	0	344.301	-0.145	20	30		EBEDRL
N#Cc1cn(CC(=O)N2CCC(CCC(=O)[O-])CC2)c(=O)[n-]c1=O	ZINC001601129254	970940404	/nfs/dbraw/zinc/94/04/04/970940404.db2.gz	TUMHTLSXVQZMCJ-UHFFFAOYSA-N	-2	0	334.332	-0.076	20	30		EBEDRL
C[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C(=O)[O-]	ZINC001589336820	953999892	/nfs/dbraw/zinc/99/98/92/953999892.db2.gz	FVHPRIVBQOOLJN-GXSJLCMTSA-N	-2	0	334.332	-0.220	20	30		EBEDRL
N#Cc1cn(C2CN(C(=O)C3(C(=O)[O-])CCOCC3)C2)c(=O)[n-]c1=O	ZINC001605623017	973947371	/nfs/dbraw/zinc/94/73/71/973947371.db2.gz	PEDMKXNWWZGKAN-UHFFFAOYSA-N	-2	0	348.315	-0.915	20	30		EBEDRL
C=CCOC[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	ZINC001588867218	984431090	/nfs/dbraw/zinc/43/10/90/984431090.db2.gz	WKHQZBAYWAKMJY-SECBINFHSA-N	-2	0	326.396	-0.262	20	30		EBEDRL
C[C@@](CNS(=O)(=O)c1cncc(C#N)c1)(CC(=O)[O-])C(=O)[O-]	ZINC000583176231	381107234	/nfs/dbraw/zinc/10/72/34/381107234.db2.gz	KOGNBCVCZZSZNB-LBPRGKRZSA-N	-2	0	327.318	-0.203	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1	ZINC000275092192	154637994	/nfs/dbraw/zinc/63/79/94/154637994.db2.gz	KHKHBKRPDFXWJM-GHMZBOCLSA-N	-2	0	339.329	-0.251	20	30		EBEDRL
N#Cc1cncc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1	ZINC000290751630	155009572	/nfs/dbraw/zinc/00/95/72/155009572.db2.gz	YJDMHVQPPRZODP-CYBMUJFWSA-N	-2	0	339.329	-0.107	20	30		EBEDRL
N#Cc1ccc2nc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cn2c1	ZINC001224041782	811742867	/nfs/dbraw/zinc/74/28/67/811742867.db2.gz	LEMKABXDHYXDTC-MFKMUULPSA-N	-2	0	347.283	-0.214	20	30		EBEDRL
N#Cc1ccc2nc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cn2c1	ZINC001224041771	811743312	/nfs/dbraw/zinc/74/33/12/811743312.db2.gz	LEMKABXDHYXDTC-GWCFXTLKSA-N	-2	0	347.283	-0.214	20	30		EBEDRL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nc(C(=O)OC)cc(=O)[n-]1	ZINC001225729828	811826511	/nfs/dbraw/zinc/82/65/11/811826511.db2.gz	DBCRJDSXGMBULJ-QMMMGPOBSA-N	-2	0	348.333	-0.193	20	30		EBEDRL
N#Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001227289548	811914575	/nfs/dbraw/zinc/91/45/75/811914575.db2.gz	QKRXABPMVOGLBG-RDDDGLTNSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#Cc1c([O-])ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C#N	ZINC001227623200	811931155	/nfs/dbraw/zinc/93/11/55/811931155.db2.gz	PRXCEMALIULICK-PWCHPLFNSA-N	-3	0	334.240	-0.423	20	30		EBEDRL
N#Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228773986	811997213	/nfs/dbraw/zinc/99/72/13/811997213.db2.gz	OCJFZJJQHFDCPT-GMSGAONNSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#Cc1ccc([N+](=O)[O-])c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001229187110	812017485	/nfs/dbraw/zinc/01/74/85/812017485.db2.gz	TXYNOTRZUQHRFE-RDDDGLTNSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CCO1	ZINC001189923844	834209620	/nfs/dbraw/zinc/20/96/20/834209620.db2.gz	DPIBWJYHMAGBQG-JTQLQIEISA-N	-2	0	340.313	-0.004	20	30		EBEDRL
Cn1c(=O)[n-]c(NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c(C#N)c1=O	ZINC001594516066	955416618	/nfs/dbraw/zinc/41/66/18/955416618.db2.gz	UOBBLZVLSXQHJV-OSPBMLLASA-N	-2	0	334.332	-0.230	20	30		EBEDRL
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000569582655	376464005	/nfs/dbraw/zinc/46/40/05/376464005.db2.gz	YDELLRLMRMROSZ-CABZTGNLSA-N	-2	0	333.366	-0.283	20	30		EBEDRL
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000566312476	380462937	/nfs/dbraw/zinc/46/29/37/380462937.db2.gz	UIANDZLSFOUOPP-GWCFXTLKSA-N	-2	0	347.393	-0.036	20	30		EBEDRL
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000569248990	380636953	/nfs/dbraw/zinc/63/69/53/380636953.db2.gz	PYCSUJQOQQDXMW-OUAUKWLOSA-N	-2	0	347.393	-0.180	20	30		EBEDRL
COC(=O)C1(C/N=C(/[O-])c2cnc([O-])n(C)c2=O)CCOCC1	ZINC000330815928	380841040	/nfs/dbraw/zinc/84/10/40/380841040.db2.gz	NJSSCHOWSGSZQZ-UHFFFAOYSA-N	-2	0	325.321	-0.240	20	30		EBEDRL
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000515304199	381910366	/nfs/dbraw/zinc/91/03/66/381910366.db2.gz	ULVOQSKXVPALAV-JOYOIKCWSA-N	-2	0	333.366	-0.426	20	30		EBEDRL
N#Cc1cncc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1	ZINC000290636173	155005708	/nfs/dbraw/zinc/00/57/08/155005708.db2.gz	LSJSXMAXCUDHDN-SNVBAGLBSA-N	-2	0	327.318	-0.060	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831142394	583977088	/nfs/dbraw/zinc/97/70/88/583977088.db2.gz	XMVKVNDFHRBEDE-LLVKDONJSA-N	-2	0	339.329	-0.258	20	30		EBEDRL
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831152948	583977384	/nfs/dbraw/zinc/97/73/84/583977384.db2.gz	SUUMKLNJVRUJND-LLVKDONJSA-N	-2	0	339.329	-0.258	20	30		EBEDRL
COCCN(CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000739820667	603169950	/nfs/dbraw/zinc/16/99/50/603169950.db2.gz	OHIKTZDNBPZIIL-UHFFFAOYSA-N	-2	0	341.345	-0.010	20	30		EBEDRL
N#Cc1ccc2nc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cn2c1	ZINC001224042974	811744790	/nfs/dbraw/zinc/74/47/90/811744790.db2.gz	SIVLOKSYYYMCJR-SNVBAGLBSA-N	-2	0	341.216	-0.281	20	30		EBEDRL
O=C([O-])C[C@H](C(=O)Oc1ccccc1C(=O)NO)[C@H](O)C(=O)[O-]	ZINC001227016223	811896765	/nfs/dbraw/zinc/89/67/65/811896765.db2.gz	ZPXRVYVVXJLYNU-XVKPBYJWSA-N	-2	0	327.245	-0.753	20	30		EBEDRL
N#Cc1ccc([N+](=O)[O-])c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001229187111	812017780	/nfs/dbraw/zinc/01/77/80/812017780.db2.gz	TXYNOTRZUQHRFE-WRWORJQWSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
COC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CC#N)cc1	ZINC001192982718	834776652	/nfs/dbraw/zinc/77/66/52/834776652.db2.gz	VNPLJYUCYWEWDT-UHFFFAOYSA-N	-2	0	333.347	-0.003	20	30		EBEDRL
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCCC1	ZINC000833964792	584021637	/nfs/dbraw/zinc/02/16/37/584021637.db2.gz	QBMQTRPRJNZNFI-JTQLQIEISA-N	-2	0	345.377	-0.105	20	30		EBEDRL
C=C1[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@H]1C(=O)[N-]OC[C@H]1CCOC1	ZINC000907665608	650088215	/nfs/dbraw/zinc/08/82/15/650088215.db2.gz	INYBWBCHHWHVLU-CRWXNKLISA-N	-2	0	340.376	-0.043	20	30		EBEDRL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nc(C(=O)OC)cc(=O)[n-]1	ZINC001225729827	811826593	/nfs/dbraw/zinc/82/65/93/811826593.db2.gz	DBCRJDSXGMBULJ-MRVPVSSYSA-N	-2	0	348.333	-0.193	20	30		EBEDRL
N#Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228773988	811997148	/nfs/dbraw/zinc/99/71/48/811997148.db2.gz	OCJFZJJQHFDCPT-XCBNKYQSSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228773989	811997289	/nfs/dbraw/zinc/99/72/89/811997289.db2.gz	OCJFZJJQHFDCPT-XVKPBYJWSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228926921	812006477	/nfs/dbraw/zinc/00/64/77/812006477.db2.gz	VOCVNGJETLBNBJ-MRVPVSSYSA-N	-2	0	332.161	-0.158	20	30		EBEDRL
N#C[C@@H]1CNCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189923763	834209297	/nfs/dbraw/zinc/20/92/97/834209297.db2.gz	OSJRAHCWZHFDLS-SNVBAGLBSA-N	-2	0	339.329	-0.431	20	30		EBEDRL
N#C[C@H]1CNCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189923755	834209629	/nfs/dbraw/zinc/20/96/29/834209629.db2.gz	OSJRAHCWZHFDLS-JTQLQIEISA-N	-2	0	339.329	-0.431	20	30		EBEDRL
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001193149298	834805464	/nfs/dbraw/zinc/80/54/64/834805464.db2.gz	NERLBRUEQBIPGI-SSDOTTSWSA-N	-2	0	332.363	-0.303	20	30		EBEDRL
N#Cc1cccc(C(=O)COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001210381658	837276034	/nfs/dbraw/zinc/27/60/34/837276034.db2.gz	MSQMKNLZSAXKFG-GXFFZTMASA-N	-2	0	335.268	-0.179	20	30		EBEDRL
Cc1ncc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1C#N	ZINC000564274432	377444180	/nfs/dbraw/zinc/44/41/80/377444180.db2.gz	VWEYUKMYZJKVQF-VIFPVBQESA-N	-2	0	327.318	-0.285	20	30		EBEDRL
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000575992868	380752829	/nfs/dbraw/zinc/75/28/29/380752829.db2.gz	MYEVGUUNNFSIQM-BBBLOLIVSA-N	-2	0	333.366	-0.428	20	30		EBEDRL
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(CC#N)CC(=O)[O-]	ZINC000738225412	582824950	/nfs/dbraw/zinc/82/49/50/582824950.db2.gz	VQBDXUWHCPICQL-VIFPVBQESA-N	-2	0	343.336	-0.071	20	30		EBEDRL
Cn1ccnc1C([O-])=C(C#N)C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000831030472	583974954	/nfs/dbraw/zinc/97/49/54/583974954.db2.gz	AIAZWXDGWJJAME-SECBINFHSA-N	-2	0	333.304	-0.866	20	30		EBEDRL
Cn1ccnc1C([O-])=C(C#N)C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000831030473	583975199	/nfs/dbraw/zinc/97/51/99/583975199.db2.gz	AIAZWXDGWJJAME-VIFPVBQESA-N	-2	0	333.304	-0.866	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)[N-]c2noc(CCNC(=O)[O-])n2)cn1	ZINC000833976076	584021754	/nfs/dbraw/zinc/02/17/54/584021754.db2.gz	CLSIAYGXAHFMBU-UHFFFAOYSA-N	-2	0	338.305	-0.053	20	30		EBEDRL
N#Cc1cc(F)c(=O)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226008787	811843254	/nfs/dbraw/zinc/84/32/54/811843254.db2.gz	MLULDKBQSFSGOL-SVGQVSJJSA-N	-3	0	328.208	-0.760	20	30		EBEDRL
COc1cc(/C=N/O)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001233803839	812346646	/nfs/dbraw/zinc/34/66/46/812346646.db2.gz	SNZKCIOBNWKMMS-AEKDMYPGSA-N	-2	0	341.272	-0.055	20	30		EBEDRL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233939083	812369738	/nfs/dbraw/zinc/36/97/38/812369738.db2.gz	HHPYVKZJMJFTTO-ZETCQYMHSA-N	-2	0	330.322	-0.516	20	30		EBEDRL
N=C(c1nonc1N)N(O)C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148915549	830555287	/nfs/dbraw/zinc/55/52/87/830555287.db2.gz	SPJRUCPCLNRSTE-UHFFFAOYSA-N	-2	0	343.277	-0.539	20	30		EBEDRL
CC[C@@H](CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C(=O)[O-]	ZINC001589526942	955126813	/nfs/dbraw/zinc/12/68/13/955126813.db2.gz	PPSJNHVKWXKKEC-QMMMGPOBSA-N	-2	0	335.320	-0.502	20	30		EBEDRL
N#Cc1cn(CCC(=O)N2CCC[C@H](CC(=O)[O-])C2)c(=O)[n-]c1=O	ZINC001594633205	956358056	/nfs/dbraw/zinc/35/80/56/956358056.db2.gz	QQEIHCBKVMFXDQ-SNVBAGLBSA-N	-2	0	334.332	-0.076	20	30		EBEDRL
N#Cc1cn(CC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c(=O)[n-]c1=O	ZINC001574492811	961712973	/nfs/dbraw/zinc/71/29/73/961712973.db2.gz	BJWHHDOAXIGTBK-LBPRGKRZSA-N	-2	0	346.274	-0.098	20	30		EBEDRL
C[C@@]1(C(=O)[O-])CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001571216477	962507930	/nfs/dbraw/zinc/50/79/30/962507930.db2.gz	SYESFCHHOJAOTK-OAHLLOKOSA-N	-2	0	334.332	-0.076	20	30		EBEDRL
CON=CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001604662214	973842037	/nfs/dbraw/zinc/84/20/37/973842037.db2.gz	XKOXVOYGMCSPQY-HTRCEHHLSA-N	-2	0	325.243	-0.259	20	30		EBEDRL
N#CCNC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001605585811	973877683	/nfs/dbraw/zinc/87/76/83/973877683.db2.gz	ISFIXRFRWSLMJQ-APPZFPTMSA-N	-2	0	336.270	-0.778	20	30		EBEDRL
C#CC[C@@H](NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1)C(=O)[O-]	ZINC001588414384	983433770	/nfs/dbraw/zinc/43/37/70/983433770.db2.gz	SHTYHZIQGFHWJB-SNVBAGLBSA-N	-2	0	329.316	-0.221	20	30		EBEDRL
Cc1ncc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1C#N	ZINC000564274431	377445205	/nfs/dbraw/zinc/44/52/05/377445205.db2.gz	VWEYUKMYZJKVQF-SECBINFHSA-N	-2	0	327.318	-0.285	20	30		EBEDRL
COCCN(CCC#N)S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000593254683	377878107	/nfs/dbraw/zinc/87/81/07/377878107.db2.gz	WWTPRMWSKDGJTL-SECBINFHSA-N	-2	0	337.354	-0.999	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1	ZINC000275092200	379461924	/nfs/dbraw/zinc/46/19/24/379461924.db2.gz	KHKHBKRPDFXWJM-MNOVXSKESA-N	-2	0	339.329	-0.251	20	30		EBEDRL
N#Cc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001229599596	812041863	/nfs/dbraw/zinc/04/18/63/812041863.db2.gz	HYDVVWSBJPDTEL-CPCISQLKSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
C=C[C@@H]1C[C@]1([N-]S(=O)(=O)C(F)F)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001259961478	812818843	/nfs/dbraw/zinc/81/88/43/812818843.db2.gz	KDBGGEDLLLEEKW-LHLIQPBNSA-N	-2	0	344.361	-0.319	20	30		EBEDRL
N#C[C@@H]1COCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189924578	834209697	/nfs/dbraw/zinc/20/96/97/834209697.db2.gz	QXKMSJYNINBVOD-SNVBAGLBSA-N	-2	0	340.313	-0.004	20	30		EBEDRL
N#Cc1ccc(C(=O)COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001206498316	836651327	/nfs/dbraw/zinc/65/13/27/836651327.db2.gz	MWIRACJEEYYJSX-ZWNOBZJWSA-N	-2	0	335.268	-0.179	20	30		EBEDRL
N#Cc1ccc(C(=O)COC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001206498578	836651778	/nfs/dbraw/zinc/65/17/78/836651778.db2.gz	RBWBMOUSGYARBS-LLVKDONJSA-N	-2	0	329.201	-0.246	20	30		EBEDRL
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001589268839	953390651	/nfs/dbraw/zinc/39/06/51/953390651.db2.gz	MBWYWOCLKPOQAD-NXEZZACHSA-N	-2	0	334.332	-0.220	20	30		EBEDRL
N#Cc1cn(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(=O)[n-]c1=O	ZINC001605622999	973947333	/nfs/dbraw/zinc/94/73/33/973947333.db2.gz	NTTBWMQBSGVCLG-WDEREUQCSA-N	-2	0	332.316	-0.610	20	30		EBEDRL
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000593257432	377879220	/nfs/dbraw/zinc/87/92/20/377879220.db2.gz	YUAMWBGCPYKVRO-JOYOIKCWSA-N	-2	0	335.382	-0.132	20	30		EBEDRL
N#Cc1nc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)[n-]c1-c1nn[nH]n1	ZINC000737704938	582650805	/nfs/dbraw/zinc/65/08/05/582650805.db2.gz	JFGRXJFOUVKTCW-UHFFFAOYSA-N	-3	0	349.270	-0.403	20	30		EBEDRL
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000830988441	583973405	/nfs/dbraw/zinc/97/34/05/583973405.db2.gz	FHCJSVQRSCYVHN-SECBINFHSA-N	-2	0	326.334	-0.291	20	30		EBEDRL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[n-]c(=O)nc2cnncc21	ZINC001226689375	811878182	/nfs/dbraw/zinc/87/81/82/811878182.db2.gz	AEBHGNDOMZGWGP-MRVPVSSYSA-N	-2	0	342.333	-0.037	20	30		EBEDRL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[n-]c(=O)nc2nccnc21	ZINC001226988933	811895338	/nfs/dbraw/zinc/89/53/38/811895338.db2.gz	CDTAERFPDSJYPI-MRVPVSSYSA-N	-2	0	342.333	-0.037	20	30		EBEDRL
C[C@H]1[C@H](NC(=O)c2ccc([O-])c(C#N)c2)C(=O)N1S(=O)(=O)[O-]	ZINC001193511982	834893236	/nfs/dbraw/zinc/89/32/36/834893236.db2.gz	IYOJBPLJGSLFCU-WKEGUHRASA-N	-2	0	325.302	-0.604	20	30		EBEDRL
C[C@H]1[C@H](NC(=O)c2cccc(C#N)c2[O-])C(=O)N1S(=O)(=O)[O-]	ZINC001193657825	834923785	/nfs/dbraw/zinc/92/37/85/834923785.db2.gz	HNWIBJPSNNLXOX-RCOVLWMOSA-N	-2	0	325.302	-0.604	20	30		EBEDRL
COc1ccc(C#N)c(S(=O)(=O)NCCOP(=O)([O-])[O-])c1	ZINC001193698613	834928098	/nfs/dbraw/zinc/92/80/98/834928098.db2.gz	HMOLAGTWIGZMSR-UHFFFAOYSA-N	-2	0	336.262	-0.046	20	30		EBEDRL
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000569248988	380637003	/nfs/dbraw/zinc/63/70/03/380637003.db2.gz	PYCSUJQOQQDXMW-MXWKQRLJSA-N	-2	0	347.393	-0.180	20	30		EBEDRL
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000569248985	380637300	/nfs/dbraw/zinc/63/73/00/380637300.db2.gz	PYCSUJQOQQDXMW-GMTAPVOTSA-N	-2	0	347.393	-0.180	20	30		EBEDRL
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000579244423	380979894	/nfs/dbraw/zinc/97/98/94/380979894.db2.gz	CUENVDUYXOPMKB-OPRDCNLKSA-N	-2	0	333.366	-0.570	20	30		EBEDRL
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000515304197	381911005	/nfs/dbraw/zinc/91/10/05/381911005.db2.gz	ULVOQSKXVPALAV-BXKDBHETSA-N	-2	0	333.366	-0.426	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831142395	583977166	/nfs/dbraw/zinc/97/71/66/583977166.db2.gz	XMVKVNDFHRBEDE-NSHDSACASA-N	-2	0	339.329	-0.258	20	30		EBEDRL
N#CC1(CS(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])CCCC1	ZINC000833964786	584021365	/nfs/dbraw/zinc/02/13/65/584021365.db2.gz	PUVUTVPALUQUOG-UHFFFAOYSA-N	-2	0	333.366	-0.199	20	30		EBEDRL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[n-]c(=O)nc2nccnc21	ZINC001226988934	811894650	/nfs/dbraw/zinc/89/46/50/811894650.db2.gz	CDTAERFPDSJYPI-QMMMGPOBSA-N	-2	0	342.333	-0.037	20	30		EBEDRL
CSc1ncc(C#N)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001228681946	811993217	/nfs/dbraw/zinc/99/32/17/811993217.db2.gz	QOZVRQVSFPOPPB-ZCFIWIBFSA-N	-2	0	335.234	-0.554	20	30		EBEDRL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233939082	812370432	/nfs/dbraw/zinc/37/04/32/812370432.db2.gz	HHPYVKZJMJFTTO-SSDOTTSWSA-N	-2	0	330.322	-0.516	20	30		EBEDRL
N#C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CCO1	ZINC001189923845	834208920	/nfs/dbraw/zinc/20/89/20/834208920.db2.gz	DPIBWJYHMAGBQG-SNVBAGLBSA-N	-2	0	340.313	-0.004	20	30		EBEDRL
N#Cc1ccc(C(=O)COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001206498313	836651575	/nfs/dbraw/zinc/65/15/75/836651575.db2.gz	MWIRACJEEYYJSX-GWCFXTLKSA-N	-2	0	335.268	-0.179	20	30		EBEDRL
COCCN(CCC(=O)[O-])C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001594002475	956940931	/nfs/dbraw/zinc/94/09/31/956940931.db2.gz	MLRZKZGHBCGXDC-UHFFFAOYSA-N	-2	0	338.320	-0.840	20	30		EBEDRL
C=CCOC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600665886	376479092	/nfs/dbraw/zinc/47/90/92/376479092.db2.gz	ZNQHHZRYTVUHFL-SSDOTTSWSA-N	-2	0	334.310	-0.738	20	30		EBEDRL
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000569582656	376463909	/nfs/dbraw/zinc/46/39/09/376463909.db2.gz	YDELLRLMRMROSZ-JOYOIKCWSA-N	-2	0	333.366	-0.283	20	30		EBEDRL
N#Cc1cncc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1	ZINC000290751632	155009402	/nfs/dbraw/zinc/00/94/02/155009402.db2.gz	YJDMHVQPPRZODP-ZDUSSCGKSA-N	-2	0	339.329	-0.107	20	30		EBEDRL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228675049	811993131	/nfs/dbraw/zinc/99/31/31/811993131.db2.gz	RDXJMIJLBZSUEB-QMMMGPOBSA-N	-2	0	344.349	-0.093	20	30		EBEDRL
N#Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228926035	812006164	/nfs/dbraw/zinc/00/61/64/812006164.db2.gz	DWIHBVUJCOVLDD-LDYMZIIASA-N	-2	0	338.228	-0.092	20	30		EBEDRL
CCOc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C#N)s1	ZINC001231091953	812272250	/nfs/dbraw/zinc/27/22/50/812272250.db2.gz	XYKKZVOQLJSJPL-XNCJUZBTSA-N	-2	0	344.301	-0.145	20	30		EBEDRL
C#CCN(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC001573318403	958463653	/nfs/dbraw/zinc/46/36/53/958463653.db2.gz	WJBPTHWECYVITL-UHFFFAOYSA-N	-2	0	346.311	-0.211	20	30		EBEDRL
N#CCNC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001605585814	973877909	/nfs/dbraw/zinc/87/79/09/973877909.db2.gz	ISFIXRFRWSLMJQ-IONNQARKSA-N	-2	0	336.270	-0.778	20	30		EBEDRL
C#CC[C@H](NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1)C(=O)[O-]	ZINC001588414383	983433780	/nfs/dbraw/zinc/43/37/80/983433780.db2.gz	SHTYHZIQGFHWJB-JTQLQIEISA-N	-2	0	329.316	-0.221	20	30		EBEDRL
COC(=O)c1cc(Cn2c(=O)[n-]cc(C#N)c2=O)cc(C(=O)[O-])c1	ZINC001598936065	997868732	/nfs/dbraw/zinc/86/87/32/997868732.db2.gz	LQKAHYBQMCHGFF-UHFFFAOYSA-N	-2	0	329.268	-0.059	20	30		EBEDRL
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000593257431	377878829	/nfs/dbraw/zinc/87/88/29/377878829.db2.gz	YUAMWBGCPYKVRO-CABZTGNLSA-N	-2	0	335.382	-0.132	20	30		EBEDRL
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000575992869	380753118	/nfs/dbraw/zinc/75/31/18/380753118.db2.gz	MYEVGUUNNFSIQM-KXUCPTDWSA-N	-2	0	333.366	-0.428	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1	ZINC000275092208	154638008	/nfs/dbraw/zinc/63/80/08/154638008.db2.gz	KHKHBKRPDFXWJM-QWRGUYRKSA-N	-2	0	339.329	-0.251	20	30		EBEDRL
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1[n-]c(=O)nc2cnncc21	ZINC001226689380	811878229	/nfs/dbraw/zinc/87/82/29/811878229.db2.gz	AEBHGNDOMZGWGP-QMMMGPOBSA-N	-2	0	342.333	-0.037	20	30		EBEDRL
N#Cc1cn(C2CN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)c(=O)[n-]c1=O	ZINC001594631916	956347802	/nfs/dbraw/zinc/34/78/02/956347802.db2.gz	RKQJZTVKDBRGMF-OTSSQURYSA-N	-2	0	333.304	-0.750	20	30		EBEDRL
C=CCOC[C@@H](NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(=O)[O-]	ZINC001573369717	963101824	/nfs/dbraw/zinc/10/18/24/963101824.db2.gz	YEHQJVKOMPQGAD-LLVKDONJSA-N	-2	0	348.315	-0.348	20	30		EBEDRL
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000579244422	380979309	/nfs/dbraw/zinc/97/93/09/380979309.db2.gz	CUENVDUYXOPMKB-KXUCPTDWSA-N	-2	0	333.366	-0.570	20	30		EBEDRL
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000831092116	583976289	/nfs/dbraw/zinc/97/62/89/583976289.db2.gz	QAYPKOZPRWXOMZ-MRVPVSSYSA-N	-2	0	344.287	-0.236	20	30		EBEDRL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c[n-]c(C(=O)OC)cc1=O	ZINC001227785048	811943015	/nfs/dbraw/zinc/94/30/15/811943015.db2.gz	AUVJHZQTFWPBQZ-SECBINFHSA-N	-2	0	347.345	-0.001	20	30		EBEDRL
O=C(Oc1cccc2c1C(=O)C=CC2=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228472847	811980773	/nfs/dbraw/zinc/98/07/73/811980773.db2.gz	LYSDHSYNKXFPHI-SNVBAGLBSA-N	-2	0	342.196	-0.003	20	30		EBEDRL
N#Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228926031	812005608	/nfs/dbraw/zinc/00/56/08/812005608.db2.gz	DWIHBVUJCOVLDD-GZMMTYOYSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#Cc1ccc2ncnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2c1	ZINC001229107928	812012757	/nfs/dbraw/zinc/01/27/57/812012757.db2.gz	RYXQOYOKKVTBEJ-SNVBAGLBSA-N	-2	0	339.200	-0.123	20	30		EBEDRL
N#Cc1cn(C2CN(c3ccc(-c4nn[nH]n4)cn3)C2)c(=O)[n-]c1=O	ZINC001570936528	949040429	/nfs/dbraw/zinc/04/04/29/949040429.db2.gz	ZNQJHBJCZGACBR-UHFFFAOYSA-N	-2	0	337.303	-0.543	20	30		EBEDRL
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001594274131	957702458	/nfs/dbraw/zinc/70/24/58/957702458.db2.gz	SKPOJXJVHMAXTR-SECBINFHSA-N	-2	0	339.329	-0.709	20	30		EBEDRL
CON=CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001604662217	973842014	/nfs/dbraw/zinc/84/20/14/973842014.db2.gz	XKOXVOYGMCSPQY-XPUUQOCRSA-N	-2	0	325.243	-0.259	20	30		EBEDRL
N#Cc1cn(CCNC(=O)c2cccc(C(=O)[O-])c2)c(=O)[n-]c1=O	ZINC001605623130	973948563	/nfs/dbraw/zinc/94/85/63/973948563.db2.gz	WXHNBGJNWDTANH-UHFFFAOYSA-N	-2	0	328.284	-0.051	20	30		EBEDRL
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000566312479	380463029	/nfs/dbraw/zinc/46/30/29/380463029.db2.gz	UIANDZLSFOUOPP-ZWNOBZJWSA-N	-2	0	347.393	-0.036	20	30		EBEDRL
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000579244424	380979746	/nfs/dbraw/zinc/97/97/46/380979746.db2.gz	CUENVDUYXOPMKB-UTLUCORTSA-N	-2	0	333.366	-0.570	20	30		EBEDRL
CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)[O-]	ZINC000738872853	597026121	/nfs/dbraw/zinc/02/61/21/597026121.db2.gz	JTAZPGYXQNNGBC-LBPRGKRZSA-N	-2	0	339.373	-0.050	20	30		EBEDRL
COCCNC(=O)C(C#N)=C([O-])c1csc(CNC(=O)[O-])n1	ZINC000739831281	602728031	/nfs/dbraw/zinc/72/80/31/602728031.db2.gz	LSSPLMAVFAPSGG-SSDOTTSWSA-N	-2	0	326.334	-0.004	20	30		EBEDRL
O=C([O-])C[C@@H](C(=O)Oc1ccccc1C(=O)NO)[C@H](O)C(=O)[O-]	ZINC001227016222	811896661	/nfs/dbraw/zinc/89/66/61/811896661.db2.gz	ZPXRVYVVXJLYNU-XCBNKYQSSA-N	-2	0	327.245	-0.753	20	30		EBEDRL
CCn1c(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc(C)c(C#N)c1=O	ZINC001229326600	812026203	/nfs/dbraw/zinc/02/62/03/812026203.db2.gz	ZPKQPZDRDGJFAU-SECBINFHSA-N	-2	0	346.232	-0.576	20	30		EBEDRL
N#Cc1cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1[N+](=O)[O-]	ZINC001229600825	812042608	/nfs/dbraw/zinc/04/26/08/812042608.db2.gz	WKKBNLOOUPRURT-SSDOTTSWSA-N	-2	0	332.161	-0.158	20	30		EBEDRL
N#Cc1cccc(C(=O)COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001210381654	837277012	/nfs/dbraw/zinc/27/70/12/837277012.db2.gz	MSQMKNLZSAXKFG-GWCFXTLKSA-N	-2	0	335.268	-0.179	20	30		EBEDRL
C[C@@]1(C#N)CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1	ZINC001575523486	949290696	/nfs/dbraw/zinc/29/06/96/949290696.db2.gz	BLBOSDMUCVAPMK-CQSZACIVSA-N	-2	0	341.335	-0.271	20	30		EBEDRL
Cn1c(=O)[n-]c(NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c(C#N)c1=O	ZINC001594516070	955416730	/nfs/dbraw/zinc/41/67/30/955416730.db2.gz	UOBBLZVLSXQHJV-WWNCPBBQSA-N	-2	0	334.332	-0.230	20	30		EBEDRL
COC[C@@]1(C(=O)[O-])CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CCO1	ZINC001593976830	970167846	/nfs/dbraw/zinc/16/78/46/970167846.db2.gz	GITWSONPGYWKLA-OAHLLOKOSA-N	-2	0	335.316	-0.091	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)o1	ZINC000287479931	376472644	/nfs/dbraw/zinc/47/26/44/376472644.db2.gz	JZQYNULZVNWWCG-RKDXNWHRSA-N	-2	0	328.302	-0.053	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)o1	ZINC000287479925	376473954	/nfs/dbraw/zinc/47/39/54/376473954.db2.gz	JZQYNULZVNWWCG-DTWKUNHWSA-N	-2	0	328.302	-0.053	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cn1	ZINC000275186875	154641439	/nfs/dbraw/zinc/64/14/39/154641439.db2.gz	XIJXBZBMTIKWMH-ZDUSSCGKSA-N	-2	0	339.329	-0.107	20	30		EBEDRL
COCCNC(=O)C(C#N)=C([O-])c1csc(CNC(=O)[O-])n1	ZINC000739831282	602727885	/nfs/dbraw/zinc/72/78/85/602727885.db2.gz	LSSPLMAVFAPSGG-ZETCQYMHSA-N	-2	0	326.334	-0.004	20	30		EBEDRL
N#Cc1cc(F)c(=O)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226008790	811843393	/nfs/dbraw/zinc/84/33/93/811843393.db2.gz	MLULDKBQSFSGOL-XNCJUZBTSA-N	-3	0	328.208	-0.760	20	30		EBEDRL
N#Cc1ccc(=O)[n-]c1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001228898804	812003648	/nfs/dbraw/zinc/00/36/48/812003648.db2.gz	MBKRJHMXCFDHRN-LLVKDONJSA-N	-2	0	343.361	-0.374	20	30		EBEDRL
N#Cc1cccc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])ncnc12	ZINC001231037899	812268180	/nfs/dbraw/zinc/26/81/80/812268180.db2.gz	WTBFYGQJALJYDO-SECBINFHSA-N	-2	0	339.200	-0.123	20	30		EBEDRL
N#Cc1cccc2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncnc12	ZINC001231037717	812268460	/nfs/dbraw/zinc/26/84/60/812268460.db2.gz	TYYMNOUCTGRJLH-BXKDBHETSA-N	-2	0	345.267	-0.057	20	30		EBEDRL
COC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(C#N)c1	ZINC001233629582	812324990	/nfs/dbraw/zinc/32/49/90/812324990.db2.gz	ADMKKFFVVDWAQL-SECBINFHSA-N	-2	0	345.200	-0.280	20	30		EBEDRL
N#C[C@H]1COCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189924577	834209473	/nfs/dbraw/zinc/20/94/73/834209473.db2.gz	QXKMSJYNINBVOD-JTQLQIEISA-N	-2	0	340.313	-0.004	20	30		EBEDRL
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001599877133	989433488	/nfs/dbraw/zinc/43/34/88/989433488.db2.gz	GVBYIZBNWFDNNO-NXEZZACHSA-N	-2	0	334.332	-0.078	20	30		EBEDRL
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000830988442	583973515	/nfs/dbraw/zinc/97/35/15/583973515.db2.gz	FHCJSVQRSCYVHN-VIFPVBQESA-N	-2	0	326.334	-0.291	20	30		EBEDRL
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000833040445	584003343	/nfs/dbraw/zinc/00/33/43/584003343.db2.gz	HVPPCHBEFMRHML-UHFFFAOYSA-N	-2	0	340.361	-0.332	20	30		EBEDRL
N#Cc1ccc(OCCOC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001224289746	811754686	/nfs/dbraw/zinc/75/46/86/811754686.db2.gz	NGNKETOXLMFZRR-LLVKDONJSA-N	-2	0	331.217	-0.050	20	30		EBEDRL
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227071374	811903259	/nfs/dbraw/zinc/90/32/59/811903259.db2.gz	XBGXKEILNFASSY-SSDOTTSWSA-N	-2	0	330.322	-0.104	20	30		EBEDRL
COc1cc(/C=N/O)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001233803842	812346063	/nfs/dbraw/zinc/34/60/63/812346063.db2.gz	SNZKCIOBNWKMMS-JUKMPNDOSA-N	-2	0	341.272	-0.055	20	30		EBEDRL
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001193149304	834806622	/nfs/dbraw/zinc/80/66/22/834806622.db2.gz	NERLBRUEQBIPGI-ZETCQYMHSA-N	-2	0	332.363	-0.303	20	30		EBEDRL
N#Cc1ccc(C(=O)COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001206498314	836651855	/nfs/dbraw/zinc/65/18/55/836651855.db2.gz	MWIRACJEEYYJSX-GXFFZTMASA-N	-2	0	335.268	-0.179	20	30		EBEDRL
N#Cc1cn(C2CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)c(=O)[n-]c1=O	ZINC001574494343	961727007	/nfs/dbraw/zinc/72/70/07/961727007.db2.gz	YIAUQUSTZIJAAL-SCZZXKLOSA-N	-2	0	347.331	-0.360	20	30		EBEDRL
C=CCOC[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)OC	ZINC001573369179	963094337	/nfs/dbraw/zinc/09/43/37/963094337.db2.gz	PIQKQIGYGRGAFG-JTQLQIEISA-N	-2	0	335.378	-0.095	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cn1	ZINC000275186873	379462765	/nfs/dbraw/zinc/46/27/65/379462765.db2.gz	XIJXBZBMTIKWMH-CYBMUJFWSA-N	-2	0	339.329	-0.107	20	30		EBEDRL
O=C([O-])C(F)(F)Oc1ccc(C=NNC2=NC(=O)C(=O)N2)cc1	ZINC000765593592	583284948	/nfs/dbraw/zinc/28/49/48/583284948.db2.gz	NMFPRGROLQUWMO-UHFFFAOYSA-N	-2	0	326.215	-0.321	20	30		EBEDRL
O=c1[n-][nH]c(=O)n1N=Cc1cccc(C=Nn2c(=O)[n-][nH]c2=O)c1	ZINC000814231387	583705085	/nfs/dbraw/zinc/70/50/85/583705085.db2.gz	FGVGQWBDDSPRPP-UHFFFAOYSA-N	-2	0	330.264	-0.544	20	30		EBEDRL
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)COCCNC(=O)[O-]	ZINC000740323441	602676131	/nfs/dbraw/zinc/67/61/31/602676131.db2.gz	MERQKPZWVGIYQY-UHFFFAOYSA-N	-2	0	341.345	-0.212	20	30		EBEDRL
O=C([O-])C[C@H](C(=O)Oc1ccccc1C(=O)NO)[C@@H](O)C(=O)[O-]	ZINC001227016221	811896653	/nfs/dbraw/zinc/89/66/53/811896653.db2.gz	ZPXRVYVVXJLYNU-OIBJUYFYSA-N	-2	0	327.245	-0.753	20	30		EBEDRL
N#Cc1c([O-])ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1C#N	ZINC001227623514	811931241	/nfs/dbraw/zinc/93/12/41/811931241.db2.gz	SFJPFMGNBPBWNU-SECBINFHSA-N	-3	0	328.173	-0.489	20	30		EBEDRL
CSc1ncc(C#N)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001228681753	811993519	/nfs/dbraw/zinc/99/35/19/811993519.db2.gz	OEPSAVNLQHUFJT-XPUUQOCRSA-N	-2	0	341.301	-0.488	20	30		EBEDRL
N#Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228773987	811996938	/nfs/dbraw/zinc/99/69/38/811996938.db2.gz	OCJFZJJQHFDCPT-OIBJUYFYSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#Cc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001229599598	812042207	/nfs/dbraw/zinc/04/22/07/812042207.db2.gz	HYDVVWSBJPDTEL-RDDDGLTNSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N=C(c1nonc1N)N(O)C(=O)c1ccccc1OP(=O)([O-])[O-]	ZINC001189860616	834202015	/nfs/dbraw/zinc/20/20/15/834202015.db2.gz	LBALJJFPXHAYAD-UHFFFAOYSA-N	-2	0	343.192	-0.020	20	30		EBEDRL
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001589268840	953390787	/nfs/dbraw/zinc/39/07/87/953390787.db2.gz	MBWYWOCLKPOQAD-UWVGGRQHSA-N	-2	0	334.332	-0.220	20	30		EBEDRL
CC[C@H](CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C(=O)[O-]	ZINC001589526941	955126308	/nfs/dbraw/zinc/12/63/08/955126308.db2.gz	PPSJNHVKWXKKEC-MRVPVSSYSA-N	-2	0	335.320	-0.502	20	30		EBEDRL
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000569582654	376463889	/nfs/dbraw/zinc/46/38/89/376463889.db2.gz	YDELLRLMRMROSZ-BXKDBHETSA-N	-2	0	333.366	-0.283	20	30		EBEDRL
N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1	ZINC000275092214	379462853	/nfs/dbraw/zinc/46/28/53/379462853.db2.gz	KHKHBKRPDFXWJM-WDEREUQCSA-N	-2	0	339.329	-0.251	20	30		EBEDRL
N#Cc1ccc(F)c(CS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000547872234	381659424	/nfs/dbraw/zinc/65/94/24/381659424.db2.gz	XGGSVKMEKUUAQA-UHFFFAOYSA-N	-2	0	330.293	-0.002	20	30		EBEDRL
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831152949	583977322	/nfs/dbraw/zinc/97/73/22/583977322.db2.gz	SUUMKLNJVRUJND-NSHDSACASA-N	-2	0	339.329	-0.258	20	30		EBEDRL
CNC(=O)C(C#N)=C([O-])c1nnn(C2CCN(C(=O)[O-])CC2)c1C	ZINC000739743081	602212550	/nfs/dbraw/zinc/21/25/50/602212550.db2.gz	MGKKYAMKJCDBSX-JTQLQIEISA-N	-2	0	334.336	-0.030	20	30		EBEDRL
N#Cc1ccc2nc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cn2c1	ZINC001224041778	811742857	/nfs/dbraw/zinc/74/28/57/811742857.db2.gz	LEMKABXDHYXDTC-GXFFZTMASA-N	-2	0	347.283	-0.214	20	30		EBEDRL
N#Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228926032	812006471	/nfs/dbraw/zinc/00/64/71/812006471.db2.gz	DWIHBVUJCOVLDD-KCJUWKMLSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#Cc1ccc([N+](=O)[O-])c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001229187109	812016212	/nfs/dbraw/zinc/01/62/12/812016212.db2.gz	TXYNOTRZUQHRFE-HQJQHLMTSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
CCOc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(C#N)s1	ZINC001231091955	812271821	/nfs/dbraw/zinc/27/18/21/812271821.db2.gz	XYKKZVOQLJSJPL-YLWLKBPMSA-N	-2	0	344.301	-0.145	20	30		EBEDRL
N#Cc1cccc(C(=O)COC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001210382883	837276863	/nfs/dbraw/zinc/27/68/63/837276863.db2.gz	ZQDNZLFLGVOMMX-LLVKDONJSA-N	-2	0	329.201	-0.246	20	30		EBEDRL
N#CC[C@]1(O)CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1	ZINC001570941722	949241615	/nfs/dbraw/zinc/24/16/15/949241615.db2.gz	ZHZWLVDFCLTUMC-AWEZNQCLSA-N	-2	0	341.335	-0.535	20	30		EBEDRL
N#CC[C@@]1(O)CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1	ZINC001570941723	949244394	/nfs/dbraw/zinc/24/43/94/949244394.db2.gz	ZHZWLVDFCLTUMC-CQSZACIVSA-N	-2	0	341.335	-0.535	20	30		EBEDRL
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000569582657	376464050	/nfs/dbraw/zinc/46/40/50/376464050.db2.gz	YDELLRLMRMROSZ-SKDRFNHKSA-N	-2	0	333.366	-0.283	20	30		EBEDRL
C[C@@](CNS(=O)(=O)c1ccc(C#N)nc1)(CC(=O)[O-])C(=O)[O-]	ZINC000548262366	379736196	/nfs/dbraw/zinc/73/61/96/379736196.db2.gz	PPZVSTNDALTFDK-LBPRGKRZSA-N	-2	0	327.318	-0.203	20	30		EBEDRL
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000548535111	379741074	/nfs/dbraw/zinc/74/10/74/379741074.db2.gz	GSJLTJSUIMCBIO-QMMMGPOBSA-N	-2	0	328.302	-0.227	20	30		EBEDRL
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000575992871	380752384	/nfs/dbraw/zinc/75/23/84/380752384.db2.gz	MYEVGUUNNFSIQM-UTLUCORTSA-N	-2	0	333.366	-0.428	20	30		EBEDRL
N#Cc1ccc2[nH]c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2c1	ZINC001227220030	811910934	/nfs/dbraw/zinc/91/09/34/811910934.db2.gz	OVQSRHWWLLPIQE-HQJQHLMTSA-N	-2	0	333.256	-0.124	20	30		EBEDRL
N#Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC001227289551	811914726	/nfs/dbraw/zinc/91/47/26/811914726.db2.gz	QKRXABPMVOGLBG-WRWORJQWSA-N	-2	0	338.228	-0.092	20	30		EBEDRL
N#Cc1ccc(=O)[n-]c1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001228898805	812003837	/nfs/dbraw/zinc/00/38/37/812003837.db2.gz	MBKRJHMXCFDHRN-NSHDSACASA-N	-2	0	343.361	-0.374	20	30		EBEDRL
C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1C(=O)[O-]	ZINC001589336821	953999536	/nfs/dbraw/zinc/99/95/36/953999536.db2.gz	FVHPRIVBQOOLJN-KOLCDFICSA-N	-2	0	334.332	-0.220	20	30		EBEDRL
N#Cc1cn(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(=O)[n-]c1=O	ZINC001574494099	961724359	/nfs/dbraw/zinc/72/43/59/961724359.db2.gz	WVOYOIJCDFKSIH-JTQLQIEISA-N	-2	0	334.332	-0.076	20	30		EBEDRL
C[C@]1(C(=O)[O-])CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001571216476	962508020	/nfs/dbraw/zinc/50/80/20/962508020.db2.gz	SYESFCHHOJAOTK-HNNXBMFYSA-N	-2	0	334.332	-0.076	20	30		EBEDRL
C=CCOC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600665887	376479011	/nfs/dbraw/zinc/47/90/11/376479011.db2.gz	ZNQHHZRYTVUHFL-ZETCQYMHSA-N	-2	0	334.310	-0.738	20	30		EBEDRL
C[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1C(=O)[O-]	ZINC001589336823	953999357	/nfs/dbraw/zinc/99/93/57/953999357.db2.gz	FVHPRIVBQOOLJN-ONGXEEELSA-N	-2	0	334.332	-0.220	20	30		EBEDRL
Cn1c(=O)[n-]c(N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c(C#N)c1=O	ZINC001571203034	962385716	/nfs/dbraw/zinc/38/57/16/962385716.db2.gz	UIWPTKUUFSHALB-NSHDSACASA-N	-2	0	332.238	-0.211	20	30		EBEDRL